HEADER    GENE REGULATION/DNA                     25-MAR-93   1LCC              
TITLE     STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-   
TITLE    2 PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE          
TITLE    3 SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3');           
COMPND   3 CHAIN: B;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3');           
COMPND   7 CHAIN: C;                                                            
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: LAC REPRESSOR;                                             
COMPND  11 CHAIN: A;                                                            
COMPND  12 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED;                               
SOURCE   4 MOL_ID: 2;                                                           
SOURCE   5 SYNTHETIC: YES;                                                      
SOURCE   6 OTHER_DETAILS: CHEMICALLY SYNTHESIZED;                               
SOURCE   7 MOL_ID: 3;                                                           
SOURCE   8 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
SOURCE   9 ORGANISM_TAXID: 562;                                                 
SOURCE  10 STRAIN: BMH 74-12;                                                   
SOURCE  11 EXPRESSION_SYSTEM_VECTOR_TYPE: LAC                                   
KEYWDS    DNA, HALF-OPERATOR, LAC OPERATOR, LAC REPRESSOR, HEADPIECE, GENE      
KEYWDS   2 REGULATION-DNA COMPLEX                                               
EXPDTA    SOLUTION NMR                                                          
AUTHOR    V.P.CHUPRINA,J.A.C.RULLMANN,R.M.J.N.LAMERICHS,J.H.VAN BOOM,R.BOELENS, 
AUTHOR   2 R.KAPTEIN                                                            
REVDAT   4   23-FEB-22 1LCC    1       REMARK LINK                              
REVDAT   3   24-FEB-09 1LCC    1       VERSN                                    
REVDAT   2   01-APR-03 1LCC    1       JRNL                                     
REVDAT   1   31-JAN-94 1LCC    0                                                
JRNL        AUTH   V.P.CHUPRINA,J.A.RULLMANN,R.M.LAMERICHS,J.H.VAN BOOM,        
JRNL        AUTH 2 R.BOELENS,R.KAPTEIN                                          
JRNL        TITL   STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN   
JRNL        TITL 2 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC    
JRNL        TITL 3 RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS.    
JRNL        REF    J.MOL.BIOL.                   V. 234   446 1993              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   8230225                                                      
JRNL        DOI    10.1006/JMBI.1993.1598                                       
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   R.M.J.N.LAMERICHS,R.BOELENS,G.A.VAN DER MAREL,J.H.VAN BOOM,  
REMARK   1  AUTH 2 R.KAPTEIN                                                    
REMARK   1  TITL   ASSIGNMENT OF THE 1H-NMR SPECTRUM OF A LAC REPRESSOR         
REMARK   1  TITL 2 HEADPIECE-OPERATOR COMPLEX IN H2O AND IDENTIFICATION OF      
REMARK   1  TITL 3 NOES. CONSEQUENCES FOR PROTEIN-DNA INTERACTION               
REMARK   1  REF    EUR.J.BIOCHEM.                V. 194   629 1990              
REMARK   1  REFN                   ISSN 0014-2956                               
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   R.KAPTEIN,R.M.J.N.LAMERICHS,R.BOELENS,J.A.C.RULLMANN         
REMARK   1  TITL   TWO-DIMENSIONAL NMR STUDY OF A PROTEIN-DNA COMPLEX. LAC      
REMARK   1  TITL 2 REPRESSOR HEADPIECE-OPERATOR INTERACTION                     
REMARK   1  REF    BIOCHEM.PHARM.                V.  40    89 1990              
REMARK   1  REFN                   ISSN 0006-2952                               
REMARK   1 REFERENCE 3                                                          
REMARK   1  AUTH   R.M.J.N.LAMERICHS,R.BOELENS,G.A.VAN DER MAREL,J.H.VAN BOOM,  
REMARK   1  AUTH 2 R.KAPTEIN,F.BUCK,B.FERA,H.RUETERJANS                         
REMARK   1  TITL   1H NMR STUDY OF A COMPLEX BETWEEN THE LAC REPRESSOR          
REMARK   1  TITL 2 HEADPIECE AND A 22 BASE PAIR SYMMETRIC LAC OPERATOR          
REMARK   1  REF    BIOCHEMISTRY                  V.  28  2985 1989              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   1 REFERENCE 4                                                          
REMARK   1  AUTH   J.A.C.RULLMANN,R.BOELENS,R.KAPTEIN                           
REMARK   1  TITL   NMR BASED DOCKING STUDIES OF LAC REPRESSOR HEADPIECE ON A    
REMARK   1  TITL 2 LAC OPERATOR FRAGMENT                                        
REMARK   1  REF    UCLA SYMP.MOL.CELL.BIOL.,     V.  95    11 1989              
REMARK   1  REF  2 NEW SER.                                                     
REMARK   1  REFN                   ISSN 0735-9543                               
REMARK   1 REFERENCE 5                                                          
REMARK   1  AUTH   R.BOELENS,R.M.J.N.LAMERICHS,J.A.C.RULLMANN,J.H.VAN BOOM,     
REMARK   1  AUTH 2 R.KAPTEIN                                                    
REMARK   1  TITL   THE INTERACTION OF LAC REPRESSOR HEADPIECE WITH ITS          
REMARK   1  TITL 2 OPERATOR: AN NMR VIEW                                        
REMARK   1  REF    PROTEIN SEQ.DATA ANAL.        V.   1   487 1988              
REMARK   1  REFN                   ISSN 0931-9506                               
REMARK   1 REFERENCE 6                                                          
REMARK   1  AUTH   J.DE VLIEG,R.M.SCHEEK,W.F.VAN GUNSTEREN,H.J.C.BERENDSEN,     
REMARK   1  AUTH 2 R.KAPTEIN,J.THOMASON                                         
REMARK   1  TITL   COMBINED PROCEDURE OF DISTANCE GEOMETRY AND RESTRAINED       
REMARK   1  TITL 2 MOLECULAR DYNAMICS TECHNIQUES FOR PROTEIN STRUCTURE          
REMARK   1  TITL 3 DETERMINATION FROM NUCLEAR MAGNETIC RESONANCE DATA:          
REMARK   1  TITL 4 APPLICATION TO THE DNA BINDING DOMAIN OF LAC REPRESSOR FROM  
REMARK   1  TITL 5 ESCHERICHIA COLI                                             
REMARK   1  REF    PROTEINS                      V.   3   209 1988              
REMARK   1  REFN                   ISSN 0887-3585                               
REMARK   1 REFERENCE 7                                                          
REMARK   1  AUTH   R.BOELENS,R.M.SCHEEK,R.M.J.N.LAMERICHS,J.DE VLIEG,           
REMARK   1  AUTH 2 J.H.VAN BOOM,R.KAPTEIN                                       
REMARK   1  TITL   A TWO-DIMENSIONAL NMR STUDY OF THE COMPLEX OF LAC REPRESSOR  
REMARK   1  TITL 2 HEADPIECE WITH A 14 BASE PAIR LAC OPERATOR FRAGMENT          
REMARK   1  REF    NATO ASI SER.,SER.A           V. 137   191 1987              
REMARK   1  REFN                   ISSN 0161-0449                               
REMARK   1 REFERENCE 8                                                          
REMARK   1  AUTH   R.BOELENS,R.M.SCHEEK,J.H.VAN BOOM,R.KAPTEIN                  
REMARK   1  TITL   COMPLEX OF LAC REPRESSOR HEADPIECE WITH A 14 BASE PAIR LAC   
REMARK   1  TITL 2 OPERATOR FRAGMENT STUDIED BY TWO-DIMENSIONAL NUCLEAR         
REMARK   1  TITL 3 MAGNETIC RESONANCE                                           
REMARK   1  REF    J.MOL.BIOL.                   V. 193   213 1987              
REMARK   1  REFN                   ISSN 0022-2836                               
REMARK   1 REFERENCE 9                                                          
REMARK   1  AUTH   J.DE VLIEG,R.BOELENS,R.M.SCHEEK,R.KAPTEIN,W.F.VAN GUNSTEREN  
REMARK   1  TITL   RESTRAINED MOLECULAR DYNAMICS PROCEDURE FOR PROTEIN TERTIARY 
REMARK   1  TITL 2 STRUCTURE DETERMINATION FROM NMR DATA: A LAC REPRESSOR       
REMARK   1  TITL 3 HEADPIECE STRUCTURE BASED ON INFORMATION ON J-COUPLING AND   
REMARK   1  TITL 4 FROM PRESENCE AND ABSENCE OF NOES                            
REMARK   1  REF    ISR.J.CHEM.                   V.  27   181 1986              
REMARK   1  REFN                   ISSN 0021-2148                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : GROMOS                                               
REMARK   3   AUTHORS     : FUJINAGA,GROS,VAN GUNSTEREN                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1LCC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 100 THE DEPOSITION ID IS D_1000174651.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : NULL                               
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NULL                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : NULL                               
REMARK 210  SPECTROMETER MODEL             : NULL                               
REMARK 210  SPECTROMETER MANUFACTURER      : NULL                               
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : NULL                               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THE AVERAGE PAIRWISE RMSD BETWEEN THE FOUR STRUCTURES        
REMARK 210  (EXCLUDING WATER AND IONS) IS 0.9 ANGSTROMS ON BACKBONE ATOMS       
REMARK 210  (EXCLUDING FIRST AND LAST THREE PROTEIN RESIDUES, AND THE FIRST     
REMARK 210  AND LAST BASE PAIR) AND 1.4 ANGSTROMS ON ALL ATOMS. THE DATA        
REMARK 210  SETS INCLUDE THOSE WATERS AND IONS FOR WHICH THE DISTANCES TO       
REMARK 210  THE NEAREST NEIGHBOR ATOM IN PROTEIN AS WELL AS IN DNA DO NOT       
REMARK 210  EXCEED 4 ANGSTROMS.                                                 
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: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C, A                               
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   HG1  THR A    34     O    HOH A    59              1.40            
REMARK 500   HG   SER A    16     O    HOH A    75              1.47            
REMARK 500   HG   SER A    31     O    HOH A    62              1.49            
REMARK 500   HE2  HIS A    29     O    HOH A    65              1.54            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500     DA B   1   C5     DA B   1   N7     -0.057                       
REMARK 500     DA B   1   C8     DA B   1   N9     -0.054                       
REMARK 500     DA B   1   N9     DA B   1   C4     -0.053                       
REMARK 500     DA B   2   C5     DA B   2   N7     -0.050                       
REMARK 500     DA B   2   N9     DA B   2   C4     -0.056                       
REMARK 500     DT B   3   C4     DT B   3   C5     -0.055                       
REMARK 500     DT B   3   C5     DT B   3   C6      0.059                       
REMARK 500     DT B   3   C6     DT B   3   N1      0.043                       
REMARK 500     DT B   3   C5     DT B   3   C7      0.042                       
REMARK 500     DT B   4   C5     DT B   4   C6      0.056                       
REMARK 500     DG B   5   C5     DG B   5   N7     -0.061                       
REMARK 500     DG B   5   C8     DG B   5   N9     -0.047                       
REMARK 500     DT B   6   C5     DT B   6   C6      0.057                       
REMARK 500     DG B   7   C5     DG B   7   N7     -0.054                       
REMARK 500     DA B   8   C5     DA B   8   N7     -0.050                       
REMARK 500     DA B   8   C8     DA B   8   N9     -0.057                       
REMARK 500     DA B   8   N9     DA B   8   C4     -0.045                       
REMARK 500     DG B   9   C5     DG B   9   N7     -0.063                       
REMARK 500     DG B   9   C8     DG B   9   N9     -0.042                       
REMARK 500     DG B   9   N9     DG B   9   C4     -0.051                       
REMARK 500     DC B  10   C5     DC B  10   C6      0.058                       
REMARK 500     DG B  11   C5     DG B  11   N7     -0.054                       
REMARK 500     DG B  11   C8     DG B  11   N9     -0.055                       
REMARK 500     DG B  11   N9     DG B  11   C4     -0.049                       
REMARK 500     DC C   1   N1     DC C   1   C6      0.043                       
REMARK 500     DG C   2   C5     DG C   2   N7     -0.052                       
REMARK 500     DT C   4   C5     DT C   4   C6      0.056                       
REMARK 500     DC C   5   N1     DC C   5   C6      0.038                       
REMARK 500     DC C   5   C5     DC C   5   C6      0.054                       
REMARK 500     DA C   6   C5     DA C   6   N7     -0.060                       
REMARK 500     DA C   6   C8     DA C   6   N9     -0.052                       
REMARK 500     DA C   6   N9     DA C   6   C4     -0.048                       
REMARK 500     DA C   8   C5     DA C   8   N7     -0.051                       
REMARK 500     DA C   8   C8     DA C   8   N9     -0.052                       
REMARK 500     DA C   8   N9     DA C   8   C4     -0.050                       
REMARK 500     DA C   9   C5     DA C   9   N7     -0.055                       
REMARK 500     DA C   9   N9     DA C   9   C4     -0.039                       
REMARK 500     DT C  10   C5     DT C  10   C6      0.056                       
REMARK 500     DT C  11   C5     DT C  11   C6      0.045                       
REMARK 500     DT C  11   C5     DT C  11   C7      0.042                       
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     DA B   1   C1' -  O4' -  C4' ANGL. DEV. =  -7.0 DEGREES          
REMARK 500     DA B   1   N1  -  C2  -  N3  ANGL. DEV. =  -9.3 DEGREES          
REMARK 500     DA B   1   C2  -  N3  -  C4  ANGL. DEV. =  11.5 DEGREES          
REMARK 500     DA B   1   N3  -  C4  -  C5  ANGL. DEV. =  -7.2 DEGREES          
REMARK 500     DA B   1   C4  -  C5  -  N7  ANGL. DEV. =  -3.1 DEGREES          
REMARK 500     DA B   1   N7  -  C8  -  N9  ANGL. DEV. =  -3.4 DEGREES          
REMARK 500     DA B   1   C8  -  N9  -  C4  ANGL. DEV. =   2.8 DEGREES          
REMARK 500     DA B   1   N3  -  C4  -  N9  ANGL. DEV. =   6.1 DEGREES          
REMARK 500     DA B   2   O4' -  C1' -  N9  ANGL. DEV. =  -4.6 DEGREES          
REMARK 500     DA B   2   N1  -  C2  -  N3  ANGL. DEV. =  -9.9 DEGREES          
REMARK 500     DA B   2   C2  -  N3  -  C4  ANGL. DEV. =  10.7 DEGREES          
REMARK 500     DA B   2   N3  -  C4  -  C5  ANGL. DEV. =  -5.7 DEGREES          
REMARK 500     DA B   2   C5  -  C6  -  N1  ANGL. DEV. =   3.4 DEGREES          
REMARK 500     DA B   2   C5  -  N7  -  C8  ANGL. DEV. =   3.3 DEGREES          
REMARK 500     DA B   2   N7  -  C8  -  N9  ANGL. DEV. =  -4.8 DEGREES          
REMARK 500     DA B   2   C8  -  N9  -  C4  ANGL. DEV. =   3.3 DEGREES          
REMARK 500     DA B   2   N3  -  C4  -  N9  ANGL. DEV. =   5.2 DEGREES          
REMARK 500     DT B   3   C1' -  O4' -  C4' ANGL. DEV. =  -6.8 DEGREES          
REMARK 500     DT B   3   N1  -  C2  -  N3  ANGL. DEV. =   5.0 DEGREES          
REMARK 500     DT B   3   C2  -  N3  -  C4  ANGL. DEV. =  -7.5 DEGREES          
REMARK 500     DT B   3   N3  -  C4  -  C5  ANGL. DEV. =   6.7 DEGREES          
REMARK 500     DT B   3   N3  -  C2  -  O2  ANGL. DEV. =  -5.5 DEGREES          
REMARK 500     DT B   4   N1  -  C2  -  N3  ANGL. DEV. =   4.3 DEGREES          
REMARK 500     DT B   4   C2  -  N3  -  C4  ANGL. DEV. =  -6.0 DEGREES          
REMARK 500     DT B   4   N3  -  C4  -  C5  ANGL. DEV. =   5.7 DEGREES          
REMARK 500     DT B   4   N3  -  C2  -  O2  ANGL. DEV. =  -6.4 DEGREES          
REMARK 500     DT B   4   N3  -  C4  -  O4  ANGL. DEV. =  -4.2 DEGREES          
REMARK 500     DG B   5   C5' -  C4' -  O4' ANGL. DEV. =   6.8 DEGREES          
REMARK 500     DG B   5   C6  -  N1  -  C2  ANGL. DEV. =  -5.2 DEGREES          
REMARK 500     DG B   5   C2  -  N3  -  C4  ANGL. DEV. =   9.5 DEGREES          
REMARK 500     DG B   5   N3  -  C4  -  C5  ANGL. DEV. =  -7.7 DEGREES          
REMARK 500     DG B   5   C5  -  C6  -  N1  ANGL. DEV. =   8.0 DEGREES          
REMARK 500     DG B   5   C4  -  C5  -  N7  ANGL. DEV. =  -3.1 DEGREES          
REMARK 500     DG B   5   N3  -  C4  -  N9  ANGL. DEV. =   6.3 DEGREES          
REMARK 500     DG B   5   C6  -  C5  -  N7  ANGL. DEV. =   4.0 DEGREES          
REMARK 500     DG B   5   N1  -  C2  -  N2  ANGL. DEV. =   5.7 DEGREES          
REMARK 500     DG B   5   C5  -  C6  -  O6  ANGL. DEV. =  -7.6 DEGREES          
REMARK 500     DT B   6   O4' -  C1' -  N1  ANGL. DEV. =   2.1 DEGREES          
REMARK 500     DT B   6   N1  -  C2  -  N3  ANGL. DEV. =   5.5 DEGREES          
REMARK 500     DT B   6   C2  -  N3  -  C4  ANGL. DEV. =  -7.5 DEGREES          
REMARK 500     DT B   6   N3  -  C4  -  C5  ANGL. DEV. =   6.2 DEGREES          
REMARK 500     DT B   6   N3  -  C2  -  O2  ANGL. DEV. =  -4.6 DEGREES          
REMARK 500     DT B   6   C3' -  O3' -  P   ANGL. DEV. =   7.3 DEGREES          
REMARK 500     DG B   7   C6  -  N1  -  C2  ANGL. DEV. =  -4.9 DEGREES          
REMARK 500     DG B   7   N1  -  C2  -  N3  ANGL. DEV. =  -5.0 DEGREES          
REMARK 500     DG B   7   C2  -  N3  -  C4  ANGL. DEV. =  11.1 DEGREES          
REMARK 500     DG B   7   N3  -  C4  -  C5  ANGL. DEV. =  -8.3 DEGREES          
REMARK 500     DG B   7   C5  -  C6  -  N1  ANGL. DEV. =   8.1 DEGREES          
REMARK 500     DG B   7   C4  -  C5  -  N7  ANGL. DEV. =  -3.4 DEGREES          
REMARK 500     DG B   7   C5  -  N7  -  C8  ANGL. DEV. =   3.2 DEGREES          
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     145 ANGLE DEVIATIONS.                             
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    HIS A  29       68.79     61.46                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500     DA B   2         0.06    SIDE CHAIN                              
REMARK 500     DT B   4         0.10    SIDE CHAIN                              
REMARK 500     DT B   6         0.08    SIDE CHAIN                              
REMARK 500     DG B   7         0.18    SIDE CHAIN                              
REMARK 500     DA B   8         0.09    SIDE CHAIN                              
REMARK 500     DG B   9         0.16    SIDE CHAIN                              
REMARK 500     DC B  10         0.10    SIDE CHAIN                              
REMARK 500     DG B  11         0.10    SIDE CHAIN                              
REMARK 500     DT C   4         0.10    SIDE CHAIN                              
REMARK 500     DC C   5         0.10    SIDE CHAIN                              
REMARK 500     DA C   6         0.12    SIDE CHAIN                              
REMARK 500     DA C   9         0.08    SIDE CHAIN                              
REMARK 500     DT C  10         0.09    SIDE CHAIN                              
REMARK 500    ARG A  51         0.08    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    VAL A  23        -10.01                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              NA C  12  NA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  DT C   4   OP1                                                    
REMARK 620 2 HOH C 319   O    85.6                                              
REMARK 620 3 HOH A  58   O    94.6  98.3                                        
REMARK 620 4 HOH A  60   O    88.9 168.2  92.6                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA C 12                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1LCD   RELATED DB: PDB                                   
REMARK 900 ENSEMBLE OF 3 STRUCTURES                                             
DBREF  1LCC A    1    51  UNP    P03023   LACI_ECOLI       1     51             
DBREF  1LCC B    1    11  PDB    1LCC     1LCC             1     11             
DBREF  1LCC C    1    11  PDB    1LCC     1LCC             1     11             
SEQRES   1 B   11   DA  DA  DT  DT  DG  DT  DG  DA  DG  DC  DG                  
SEQRES   1 C   11   DC  DG  DC  DT  DC  DA  DC  DA  DA  DT  DT                  
SEQRES   1 A   51  MET LYS PRO VAL THR LEU TYR ASP VAL ALA GLU TYR ALA          
SEQRES   2 A   51  GLY VAL SER TYR GLN THR VAL SER ARG VAL VAL ASN GLN          
SEQRES   3 A   51  ALA SER HIS VAL SER ALA LYS THR ARG GLU LYS VAL GLU          
SEQRES   4 A   51  ALA ALA MET ALA GLU LEU ASN TYR ILE PRO ASN ARG              
HET     NA  C  12       1                                                       
HETNAM      NA SODIUM ION                                                       
FORMUL   4   NA    NA 1+                                                        
FORMUL   5  HOH   *53(H2 O)                                                     
HELIX    1   1 THR A    5  GLY A   14  1                                  10    
HELIX    2   2 SER A   16  ASN A   25  1                                  10    
HELIX    3   3 SER A   31  LEU A   45  1                                  15    
LINK         OP1  DT C   4                NA    NA C  12     1555   1555  2.41  
LINK        NA    NA C  12                 O   HOH C 319     1555   1555  2.11  
LINK        NA    NA C  12                 O   HOH A  58     1555   1555  2.19  
LINK        NA    NA C  12                 O   HOH A  60     1555   1555  2.13  
SITE     1 AC1  6 VAL A  24  HOH A  58  HOH A  60   DC C   3                    
SITE     2 AC1  6  DT C   4  HOH C 319                                          
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                         
ATOM      1  O5'  DA B   1       7.270  32.310  48.740  1.00  0.00           O  
ATOM      2  C5'  DA B   1       7.000  31.560  47.530  1.00  0.00           C  
ATOM      3  C4'  DA B   1       8.260  31.500  46.660  1.00  0.00           C  
ATOM      4  O4'  DA B   1       9.340  30.910  47.390  1.00  0.00           O  
ATOM      5  C3'  DA B   1       8.240  30.710  45.340  1.00  0.00           C  
ATOM      6  O3'  DA B   1       8.290  31.660  44.250  1.00  0.00           O  
ATOM      7  C2'  DA B   1       9.440  29.790  45.410  1.00  0.00           C  
ATOM      8  C1'  DA B   1      10.290  30.600  46.370  1.00  0.00           C  
ATOM      9  N9   DA B   1      11.340  29.830  47.060  1.00  0.00           N  
ATOM     10  C8   DA B   1      11.090  28.710  47.710  1.00  0.00           C  
ATOM     11  N7   DA B   1      12.220  28.190  48.190  1.00  0.00           N  
ATOM     12  C5   DA B   1      13.210  28.990  47.800  1.00  0.00           C  
ATOM     13  C6   DA B   1      14.610  28.930  47.830  1.00  0.00           C  
ATOM     14  N6   DA B   1      15.250  28.120  48.650  1.00  0.00           N  
ATOM     15  N1   DA B   1      15.350  29.870  47.190  1.00  0.00           N  
ATOM     16  C2   DA B   1      14.770  30.890  46.560  1.00  0.00           C  
ATOM     17  N3   DA B   1      13.440  30.980  46.520  1.00  0.00           N  
ATOM     18  C4   DA B   1      12.640  30.060  47.100  1.00  0.00           C  
ATOM     19  H61  DA B   1      16.250  28.030  48.620  1.00  0.00           H  
ATOM     20  H62  DA B   1      14.740  27.720  49.410  1.00  0.00           H  
ATOM     21 HO5'  DA B   1       8.160  31.990  49.140  1.00  0.00           H  
ATOM     22  P    DA B   2       8.080  31.300  42.690  1.00  0.00           P  
ATOM     23  OP1  DA B   2       7.030  32.190  42.130  1.00  0.00           O  
ATOM     24  OP2  DA B   2       7.900  29.850  42.460  1.00  0.00           O  
ATOM     25  O5'  DA B   2       9.460  31.720  42.000  1.00  0.00           O  
ATOM     26  C5'  DA B   2       9.970  33.040  42.270  1.00  0.00           C  
ATOM     27  C4'  DA B   2      11.430  33.310  41.930  1.00  0.00           C  
ATOM     28  O4'  DA B   2      12.290  32.570  42.800  1.00  0.00           O  
ATOM     29  C3'  DA B   2      11.760  32.940  40.500  1.00  0.00           C  
ATOM     30  O3'  DA B   2      12.340  34.080  39.850  1.00  0.00           O  
ATOM     31  C2'  DA B   2      12.640  31.700  40.590  1.00  0.00           C  
ATOM     32  C1'  DA B   2      13.240  31.870  41.980  1.00  0.00           C  
ATOM     33  N9   DA B   2      13.400  30.580  42.670  1.00  0.00           N  
ATOM     34  C8   DA B   2      12.410  29.770  43.080  1.00  0.00           C  
ATOM     35  N7   DA B   2      12.940  28.660  43.590  1.00  0.00           N  
ATOM     36  C5   DA B   2      14.270  28.780  43.500  1.00  0.00           C  
ATOM     37  C6   DA B   2      15.370  27.970  43.800  1.00  0.00           C  
ATOM     38  N6   DA B   2      15.180  26.730  44.200  1.00  0.00           N  
ATOM     39  N1   DA B   2      16.630  28.390  43.560  1.00  0.00           N  
ATOM     40  C2   DA B   2      16.870  29.590  43.010  1.00  0.00           C  
ATOM     41  N3   DA B   2      15.840  30.390  42.700  1.00  0.00           N  
ATOM     42  C4   DA B   2      14.560  30.010  42.930  1.00  0.00           C  
ATOM     43  H61  DA B   2      15.910  26.110  44.450  1.00  0.00           H  
ATOM     44  H62  DA B   2      14.220  26.400  44.270  1.00  0.00           H  
ATOM     45  P    DT B   3      12.570  34.250  38.270  1.00  0.00           P  
ATOM     46  OP1  DT B   3      12.230  35.650  37.920  1.00  0.00           O  
ATOM     47  OP2  DT B   3      11.880  33.190  37.490  1.00  0.00           O  
ATOM     48  O5'  DT B   3      14.150  34.040  38.230  1.00  0.00           O  
ATOM     49  C5'  DT B   3      14.720  33.240  37.190  1.00  0.00           C  
ATOM     50  C4'  DT B   3      15.950  32.480  37.640  1.00  0.00           C  
ATOM     51  O4'  DT B   3      15.640  31.520  38.670  1.00  0.00           O  
ATOM     52  C3'  DT B   3      16.550  31.680  36.490  1.00  0.00           C  
ATOM     53  O3'  DT B   3      17.760  32.220  35.930  1.00  0.00           O  
ATOM     54  C2'  DT B   3      16.930  30.390  37.160  1.00  0.00           C  
ATOM     55  C1'  DT B   3      16.760  30.620  38.630  1.00  0.00           C  
ATOM     56  N1   DT B   3      16.360  29.340  39.270  1.00  0.00           N  
ATOM     57  C2   DT B   3      17.350  28.450  39.720  1.00  0.00           C  
ATOM     58  O2   DT B   3      18.540  28.700  39.700  1.00  0.00           O  
ATOM     59  N3   DT B   3      16.980  27.200  40.210  1.00  0.00           N  
ATOM     60  C4   DT B   3      15.620  26.860  40.290  1.00  0.00           C  
ATOM     61  O4   DT B   3      15.350  25.790  40.830  1.00  0.00           O  
ATOM     62  C5   DT B   3      14.620  27.730  39.870  1.00  0.00           C  
ATOM     63  C7   DT B   3      13.140  27.450  40.180  1.00  0.00           C  
ATOM     64  C6   DT B   3      14.990  28.970  39.340  1.00  0.00           C  
ATOM     65  H3   DT B   3      17.700  26.550  40.440  1.00  0.00           H  
ATOM     66  P    DT B   4      18.410  31.710  34.540  1.00  0.00           P  
ATOM     67  OP1  DT B   4      18.600  32.920  33.720  1.00  0.00           O  
ATOM     68  OP2  DT B   4      17.670  30.580  33.920  1.00  0.00           O  
ATOM     69  O5'  DT B   4      19.820  31.080  34.960  1.00  0.00           O  
ATOM     70  C5'  DT B   4      20.640  31.730  35.950  1.00  0.00           C  
ATOM     71  C4'  DT B   4      21.590  30.780  36.670  1.00  0.00           C  
ATOM     72  O4'  DT B   4      20.810  29.810  37.400  1.00  0.00           O  
ATOM     73  C3'  DT B   4      22.530  30.000  35.760  1.00  0.00           C  
ATOM     74  O3'  DT B   4      23.850  30.170  36.320  1.00  0.00           O  
ATOM     75  C2'  DT B   4      22.010  28.590  35.720  1.00  0.00           C  
ATOM     76  C1'  DT B   4      21.220  28.490  37.010  1.00  0.00           C  
ATOM     77  N1   DT B   4      19.990  27.660  36.810  1.00  0.00           N  
ATOM     78  C2   DT B   4      19.760  26.570  37.660  1.00  0.00           C  
ATOM     79  O2   DT B   4      20.370  26.370  38.700  1.00  0.00           O  
ATOM     80  N3   DT B   4      18.630  25.790  37.460  1.00  0.00           N  
ATOM     81  C4   DT B   4      17.720  26.090  36.460  1.00  0.00           C  
ATOM     82  O4   DT B   4      16.910  25.200  36.190  1.00  0.00           O  
ATOM     83  C5   DT B   4      17.890  27.210  35.650  1.00  0.00           C  
ATOM     84  C7   DT B   4      16.670  27.820  34.970  1.00  0.00           C  
ATOM     85  C6   DT B   4      19.050  27.970  35.800  1.00  0.00           C  
ATOM     86  H3   DT B   4      18.400  25.040  38.090  1.00  0.00           H  
ATOM     87  P    DG B   5      25.210  29.620  35.660  1.00  0.00           P  
ATOM     88  OP1  DG B   5      26.240  30.280  36.470  1.00  0.00           O  
ATOM     89  OP2  DG B   5      25.240  29.910  34.210  1.00  0.00           O  
ATOM     90  O5'  DG B   5      25.190  28.020  35.890  1.00  0.00           O  
ATOM     91  C5'  DG B   5      25.300  27.500  37.230  1.00  0.00           C  
ATOM     92  C4'  DG B   5      24.900  26.040  37.400  1.00  0.00           C  
ATOM     93  O4'  DG B   5      23.540  25.710  37.100  1.00  0.00           O  
ATOM     94  C3'  DG B   5      25.740  25.100  36.560  1.00  0.00           C  
ATOM     95  O3'  DG B   5      26.610  24.410  37.470  1.00  0.00           O  
ATOM     96  C2'  DG B   5      24.770  24.220  35.800  1.00  0.00           C  
ATOM     97  C1'  DG B   5      23.520  24.330  36.670  1.00  0.00           C  
ATOM     98  N9   DG B   5      22.260  24.140  35.920  1.00  0.00           N  
ATOM     99  C8   DG B   5      21.840  25.010  35.010  1.00  0.00           C  
ATOM    100  N7   DG B   5      20.550  24.810  34.730  1.00  0.00           N  
ATOM    101  C5   DG B   5      20.150  23.770  35.450  1.00  0.00           C  
ATOM    102  C6   DG B   5      18.960  23.030  35.530  1.00  0.00           C  
ATOM    103  O6   DG B   5      18.080  23.160  34.690  1.00  0.00           O  
ATOM    104  N1   DG B   5      18.900  21.920  36.360  1.00  0.00           N  
ATOM    105  C2   DG B   5      20.010  21.550  37.100  1.00  0.00           C  
ATOM    106  N2   DG B   5      19.970  20.570  37.960  1.00  0.00           N  
ATOM    107  N3   DG B   5      21.140  22.250  37.020  1.00  0.00           N  
ATOM    108  C4   DG B   5      21.240  23.340  36.220  1.00  0.00           C  
ATOM    109  H1   DG B   5      18.080  21.350  36.340  1.00  0.00           H  
ATOM    110  H21  DG B   5      19.210  19.920  38.040  1.00  0.00           H  
ATOM    111  H22  DG B   5      20.700  20.560  38.650  1.00  0.00           H  
ATOM    112  P    DT B   6      27.700  23.320  36.980  1.00  0.00           P  
ATOM    113  OP1  DT B   6      28.800  23.230  37.970  1.00  0.00           O  
ATOM    114  OP2  DT B   6      27.990  23.420  35.530  1.00  0.00           O  
ATOM    115  O5'  DT B   6      26.860  21.960  37.050  1.00  0.00           O  
ATOM    116  C5'  DT B   6      26.480  21.360  38.300  1.00  0.00           C  
ATOM    117  C4'  DT B   6      25.540  20.200  38.020  1.00  0.00           C  
ATOM    118  O4'  DT B   6      24.380  20.670  37.290  1.00  0.00           O  
ATOM    119  C3'  DT B   6      26.160  19.130  37.140  1.00  0.00           C  
ATOM    120  O3'  DT B   6      26.240  17.920  37.920  1.00  0.00           O  
ATOM    121  C2'  DT B   6      25.270  19.000  35.940  1.00  0.00           C  
ATOM    122  C1'  DT B   6      23.960  19.550  36.500  1.00  0.00           C  
ATOM    123  N1   DT B   6      23.030  19.990  35.430  1.00  0.00           N  
ATOM    124  C2   DT B   6      21.720  19.470  35.330  1.00  0.00           C  
ATOM    125  O2   DT B   6      21.340  18.530  36.010  1.00  0.00           O  
ATOM    126  N3   DT B   6      20.820  20.010  34.410  1.00  0.00           N  
ATOM    127  C4   DT B   6      21.230  21.050  33.570  1.00  0.00           C  
ATOM    128  O4   DT B   6      20.360  21.610  32.900  1.00  0.00           O  
ATOM    129  C5   DT B   6      22.540  21.550  33.610  1.00  0.00           C  
ATOM    130  C7   DT B   6      23.070  22.490  32.530  1.00  0.00           C  
ATOM    131  C6   DT B   6      23.410  21.030  34.570  1.00  0.00           C  
ATOM    132  H3   DT B   6      19.870  19.690  34.390  1.00  0.00           H  
ATOM    133  P    DG B   7      26.740  16.480  37.420  1.00  0.00           P  
ATOM    134  OP1  DG B   7      27.230  15.880  38.680  1.00  0.00           O  
ATOM    135  OP2  DG B   7      27.650  16.540  36.260  1.00  0.00           O  
ATOM    136  O5'  DG B   7      25.390  15.760  36.910  1.00  0.00           O  
ATOM    137  C5'  DG B   7      24.140  15.780  37.650  1.00  0.00           C  
ATOM    138  C4'  DG B   7      22.980  15.060  36.950  1.00  0.00           C  
ATOM    139  O4'  DG B   7      22.280  15.850  35.960  1.00  0.00           O  
ATOM    140  C3'  DG B   7      23.500  13.820  36.260  1.00  0.00           C  
ATOM    141  O3'  DG B   7      22.850  12.610  36.700  1.00  0.00           O  
ATOM    142  C2'  DG B   7      23.350  14.130  34.790  1.00  0.00           C  
ATOM    143  C1'  DG B   7      22.080  14.990  34.820  1.00  0.00           C  
ATOM    144  N9   DG B   7      21.900  15.860  33.640  1.00  0.00           N  
ATOM    145  C8   DG B   7      22.780  16.800  33.290  1.00  0.00           C  
ATOM    146  N7   DG B   7      22.200  17.710  32.520  1.00  0.00           N  
ATOM    147  C5   DG B   7      20.920  17.360  32.380  1.00  0.00           C  
ATOM    148  C6   DG B   7      19.810  17.910  31.710  1.00  0.00           C  
ATOM    149  O6   DG B   7      19.820  19.060  31.260  1.00  0.00           O  
ATOM    150  N1   DG B   7      18.600  17.210  31.690  1.00  0.00           N  
ATOM    151  C2   DG B   7      18.490  15.990  32.340  1.00  0.00           C  
ATOM    152  N2   DG B   7      17.520  15.180  31.990  1.00  0.00           N  
ATOM    153  N3   DG B   7      19.550  15.510  33.000  1.00  0.00           N  
ATOM    154  C4   DG B   7      20.740  16.160  33.060  1.00  0.00           C  
ATOM    155  H1   DG B   7      17.870  17.530  31.090  1.00  0.00           H  
ATOM    156  H21  DG B   7      16.690  15.500  31.530  1.00  0.00           H  
ATOM    157  H22  DG B   7      17.660  14.190  32.120  1.00  0.00           H  
ATOM    158  P    DA B   8      23.400  11.160  36.280  1.00  0.00           P  
ATOM    159  OP1  DA B   8      23.100  10.210  37.380  1.00  0.00           O  
ATOM    160  OP2  DA B   8      24.820  11.290  35.880  1.00  0.00           O  
ATOM    161  O5'  DA B   8      22.540  10.870  34.960  1.00  0.00           O  
ATOM    162  C5'  DA B   8      21.090  10.840  34.990  1.00  0.00           C  
ATOM    163  C4'  DA B   8      20.430  11.040  33.620  1.00  0.00           C  
ATOM    164  O4'  DA B   8      20.640  12.370  33.080  1.00  0.00           O  
ATOM    165  C3'  DA B   8      20.970  10.070  32.570  1.00  0.00           C  
ATOM    166  O3'  DA B   8      19.990   9.480  31.700  1.00  0.00           O  
ATOM    167  C2'  DA B   8      21.850  10.960  31.710  1.00  0.00           C  
ATOM    168  C1'  DA B   8      20.880  12.130  31.690  1.00  0.00           C  
ATOM    169  N9   DA B   8      21.360  13.310  30.940  1.00  0.00           N  
ATOM    170  C8   DA B   8      22.570  13.820  31.020  1.00  0.00           C  
ATOM    171  N7   DA B   8      22.620  15.010  30.410  1.00  0.00           N  
ATOM    172  C5   DA B   8      21.410  15.220  29.880  1.00  0.00           C  
ATOM    173  C6   DA B   8      20.810  16.190  29.060  1.00  0.00           C  
ATOM    174  N6   DA B   8      21.350  17.370  28.860  1.00  0.00           N  
ATOM    175  N1   DA B   8      19.550  16.040  28.620  1.00  0.00           N  
ATOM    176  C2   DA B   8      18.820  14.960  28.940  1.00  0.00           C  
ATOM    177  N3   DA B   8      19.350  14.020  29.710  1.00  0.00           N  
ATOM    178  C4   DA B   8      20.610  14.120  30.200  1.00  0.00           C  
ATOM    179  H61  DA B   8      20.960  17.980  28.160  1.00  0.00           H  
ATOM    180  H62  DA B   8      21.940  17.800  29.550  1.00  0.00           H  
ATOM    181  P    DG B   9      19.040   8.270  32.140  1.00  0.00           P  
ATOM    182  OP1  DG B   9      18.130   8.670  33.240  1.00  0.00           O  
ATOM    183  OP2  DG B   9      19.840   7.040  32.370  1.00  0.00           O  
ATOM    184  O5'  DG B   9      18.170   8.030  30.840  1.00  0.00           O  
ATOM    185  C5'  DG B   9      17.150   8.980  30.480  1.00  0.00           C  
ATOM    186  C4'  DG B   9      17.330   9.590  29.100  1.00  0.00           C  
ATOM    187  O4'  DG B   9      18.300  10.650  28.970  1.00  0.00           O  
ATOM    188  C3'  DG B   9      17.710   8.560  28.050  1.00  0.00           C  
ATOM    189  O3'  DG B   9      16.660   8.540  27.060  1.00  0.00           O  
ATOM    190  C2'  DG B   9      19.060   8.970  27.570  1.00  0.00           C  
ATOM    191  C1'  DG B   9      18.880  10.470  27.650  1.00  0.00           C  
ATOM    192  N9   DG B   9      20.160  11.190  27.530  1.00  0.00           N  
ATOM    193  C8   DG B   9      21.260  10.920  28.230  1.00  0.00           C  
ATOM    194  N7   DG B   9      22.150  11.900  28.090  1.00  0.00           N  
ATOM    195  C5   DG B   9      21.600  12.810  27.300  1.00  0.00           C  
ATOM    196  C6   DG B   9      22.030  14.040  26.790  1.00  0.00           C  
ATOM    197  O6   DG B   9      22.900  14.670  27.390  1.00  0.00           O  
ATOM    198  N1   DG B   9      21.230  14.700  25.850  1.00  0.00           N  
ATOM    199  C2   DG B   9      20.000  14.160  25.490  1.00  0.00           C  
ATOM    200  N2   DG B   9      19.080  14.910  24.950  1.00  0.00           N  
ATOM    201  N3   DG B   9      19.580  13.010  26.020  1.00  0.00           N  
ATOM    202  C4   DG B   9      20.340  12.340  26.900  1.00  0.00           C  
ATOM    203  H1   DG B   9      21.490  15.590  25.500  1.00  0.00           H  
ATOM    204  H21  DG B   9      19.300  15.790  24.510  1.00  0.00           H  
ATOM    205  H22  DG B   9      18.130  14.690  25.190  1.00  0.00           H  
ATOM    206  P    DC B  10      16.730   7.580  25.770  1.00  0.00           P  
ATOM    207  OP1  DC B  10      15.390   6.940  25.710  1.00  0.00           O  
ATOM    208  OP2  DC B  10      17.930   6.720  25.800  1.00  0.00           O  
ATOM    209  O5'  DC B  10      16.940   8.610  24.560  1.00  0.00           O  
ATOM    210  C5'  DC B  10      15.860   9.470  24.160  1.00  0.00           C  
ATOM    211  C4'  DC B  10      16.170  10.490  23.070  1.00  0.00           C  
ATOM    212  O4'  DC B  10      17.350  11.260  23.430  1.00  0.00           O  
ATOM    213  C3'  DC B  10      16.470   9.790  21.760  1.00  0.00           C  
ATOM    214  O3'  DC B  10      15.650  10.280  20.660  1.00  0.00           O  
ATOM    215  C2'  DC B  10      17.970   9.890  21.650  1.00  0.00           C  
ATOM    216  C1'  DC B  10      18.180  11.250  22.260  1.00  0.00           C  
ATOM    217  N1   DC B  10      19.590  11.360  22.670  1.00  0.00           N  
ATOM    218  C2   DC B  10      20.340  12.510  22.360  1.00  0.00           C  
ATOM    219  O2   DC B  10      20.020  13.210  21.400  1.00  0.00           O  
ATOM    220  N3   DC B  10      21.540  12.690  22.920  1.00  0.00           N  
ATOM    221  C4   DC B  10      22.050  11.770  23.760  1.00  0.00           C  
ATOM    222  N4   DC B  10      23.290  11.980  24.100  1.00  0.00           N  
ATOM    223  C5   DC B  10      21.380  10.580  24.100  1.00  0.00           C  
ATOM    224  C6   DC B  10      20.130  10.380  23.510  1.00  0.00           C  
ATOM    225  H41  DC B  10      23.900  12.480  23.490  1.00  0.00           H  
ATOM    226  H42  DC B  10      23.700  11.340  24.790  1.00  0.00           H  
ATOM    227  P    DG B  11      15.670   9.600  19.190  1.00  0.00           P  
ATOM    228  OP1  DG B  11      14.580  10.250  18.430  1.00  0.00           O  
ATOM    229  OP2  DG B  11      15.660   8.120  19.280  1.00  0.00           O  
ATOM    230  O5'  DG B  11      17.070  10.090  18.610  1.00  0.00           O  
ATOM    231  C5'  DG B  11      17.120  11.290  17.810  1.00  0.00           C  
ATOM    232  C4'  DG B  11      18.510  11.670  17.370  1.00  0.00           C  
ATOM    233  O4'  DG B  11      19.420  11.880  18.450  1.00  0.00           O  
ATOM    234  C3'  DG B  11      19.180  10.590  16.550  1.00  0.00           C  
ATOM    235  O3'  DG B  11      18.590  10.490  15.250  1.00  0.00           O  
ATOM    236  C2'  DG B  11      20.640  11.020  16.590  1.00  0.00           C  
ATOM    237  C1'  DG B  11      20.670  12.030  17.750  1.00  0.00           C  
ATOM    238  N9   DG B  11      21.760  11.730  18.700  1.00  0.00           N  
ATOM    239  C8   DG B  11      21.740  10.730  19.560  1.00  0.00           C  
ATOM    240  N7   DG B  11      22.710  10.870  20.470  1.00  0.00           N  
ATOM    241  C5   DG B  11      23.400  11.960  20.130  1.00  0.00           C  
ATOM    242  C6   DG B  11      24.580  12.550  20.610  1.00  0.00           C  
ATOM    243  O6   DG B  11      25.020  12.300  21.730  1.00  0.00           O  
ATOM    244  N1   DG B  11      25.140  13.630  19.910  1.00  0.00           N  
ATOM    245  C2   DG B  11      24.490  14.110  18.780  1.00  0.00           C  
ATOM    246  N2   DG B  11      24.900  15.200  18.210  1.00  0.00           N  
ATOM    247  N3   DG B  11      23.350  13.550  18.340  1.00  0.00           N  
ATOM    248  C4   DG B  11      22.800  12.500  18.990  1.00  0.00           C  
ATOM    249 HO3'  DG B  11      19.030   9.780  14.600  1.00  0.00           H  
ATOM    250  H1   DG B  11      26.010  14.020  20.210  1.00  0.00           H  
ATOM    251  H21  DG B  11      25.760  15.650  18.490  1.00  0.00           H  
ATOM    252  H22  DG B  11      24.330  15.610  17.480  1.00  0.00           H  
TER     253       DG B  11                                                      
ATOM    254  O5'  DC C   1      33.730  17.510  20.580  1.00  0.00           O  
ATOM    255  C5'  DC C   1      32.690  18.440  20.910  1.00  0.00           C  
ATOM    256  C4'  DC C   1      31.560  18.410  19.890  1.00  0.00           C  
ATOM    257  O4'  DC C   1      30.840  17.150  20.040  1.00  0.00           O  
ATOM    258  C3'  DC C   1      30.490  19.460  20.150  1.00  0.00           C  
ATOM    259  O3'  DC C   1      30.080  20.020  18.880  1.00  0.00           O  
ATOM    260  C2'  DC C   1      29.430  18.790  20.960  1.00  0.00           C  
ATOM    261  C1'  DC C   1      29.450  17.420  20.320  1.00  0.00           C  
ATOM    262  N1   DC C   1      28.890  16.360  21.200  1.00  0.00           N  
ATOM    263  C2   DC C   1      27.910  15.460  20.740  1.00  0.00           C  
ATOM    264  O2   DC C   1      27.490  15.480  19.590  1.00  0.00           O  
ATOM    265  N3   DC C   1      27.360  14.580  21.600  1.00  0.00           N  
ATOM    266  C4   DC C   1      27.700  14.570  22.900  1.00  0.00           C  
ATOM    267  N4   DC C   1      27.020  13.750  23.680  1.00  0.00           N  
ATOM    268  C5   DC C   1      28.650  15.450  23.440  1.00  0.00           C  
ATOM    269  C6   DC C   1      29.260  16.330  22.560  1.00  0.00           C  
ATOM    270  H41  DC C   1      26.250  13.240  23.290  1.00  0.00           H  
ATOM    271  H42  DC C   1      27.290  13.640  24.630  1.00  0.00           H  
ATOM    272 HO5'  DC C   1      34.260  17.320  21.460  1.00  0.00           H  
ATOM    273  P    DG C   2      29.350  21.440  18.880  1.00  0.00           P  
ATOM    274  OP1  DG C   2      29.470  22.020  17.530  1.00  0.00           O  
ATOM    275  OP2  DG C   2      29.940  22.210  20.000  1.00  0.00           O  
ATOM    276  O5'  DG C   2      27.820  21.050  19.190  1.00  0.00           O  
ATOM    277  C5'  DG C   2      26.910  20.710  18.130  1.00  0.00           C  
ATOM    278  C4'  DG C   2      25.530  20.370  18.670  1.00  0.00           C  
ATOM    279  O4'  DG C   2      25.690  19.280  19.590  1.00  0.00           O  
ATOM    280  C3'  DG C   2      24.910  21.520  19.450  1.00  0.00           C  
ATOM    281  O3'  DG C   2      23.770  22.090  18.760  1.00  0.00           O  
ATOM    282  C2'  DG C   2      24.610  20.950  20.830  1.00  0.00           C  
ATOM    283  C1'  DG C   2      24.590  19.470  20.480  1.00  0.00           C  
ATOM    284  N9   DG C   2      24.750  18.550  21.600  1.00  0.00           N  
ATOM    285  C8   DG C   2      25.780  18.470  22.450  1.00  0.00           C  
ATOM    286  N7   DG C   2      25.580  17.450  23.280  1.00  0.00           N  
ATOM    287  C5   DG C   2      24.420  16.880  22.940  1.00  0.00           C  
ATOM    288  C6   DG C   2      23.770  15.710  23.340  1.00  0.00           C  
ATOM    289  O6   DG C   2      24.150  15.050  24.300  1.00  0.00           O  
ATOM    290  N1   DG C   2      22.660  15.250  22.630  1.00  0.00           N  
ATOM    291  C2   DG C   2      22.180  15.990  21.550  1.00  0.00           C  
ATOM    292  N2   DG C   2      21.030  15.690  20.980  1.00  0.00           N  
ATOM    293  N3   DG C   2      22.780  17.130  21.210  1.00  0.00           N  
ATOM    294  C4   DG C   2      23.890  17.570  21.860  1.00  0.00           C  
ATOM    295  H1   DG C   2      22.450  14.280  22.730  1.00  0.00           H  
ATOM    296  H21  DG C   2      20.590  14.790  21.120  1.00  0.00           H  
ATOM    297  H22  DG C   2      20.510  16.420  20.500  1.00  0.00           H  
ATOM    298  P    DC C   3      22.920  23.300  19.400  1.00  0.00           P  
ATOM    299  OP1  DC C   3      22.150  24.080  18.400  1.00  0.00           O  
ATOM    300  OP2  DC C   3      23.760  24.040  20.360  1.00  0.00           O  
ATOM    301  O5'  DC C   3      21.860  22.460  20.260  1.00  0.00           O  
ATOM    302  C5'  DC C   3      20.970  21.580  19.560  1.00  0.00           C  
ATOM    303  C4'  DC C   3      20.050  20.770  20.460  1.00  0.00           C  
ATOM    304  O4'  DC C   3      20.780  19.810  21.230  1.00  0.00           O  
ATOM    305  C3'  DC C   3      19.310  21.690  21.400  1.00  0.00           C  
ATOM    306  O3'  DC C   3      17.920  21.780  21.050  1.00  0.00           O  
ATOM    307  C2'  DC C   3      19.620  21.080  22.750  1.00  0.00           C  
ATOM    308  C1'  DC C   3      20.060  19.640  22.460  1.00  0.00           C  
ATOM    309  N1   DC C   3      20.960  19.010  23.460  1.00  0.00           N  
ATOM    310  C2   DC C   3      20.550  17.880  24.190  1.00  0.00           C  
ATOM    311  O2   DC C   3      19.410  17.440  24.060  1.00  0.00           O  
ATOM    312  N3   DC C   3      21.280  17.470  25.250  1.00  0.00           N  
ATOM    313  C4   DC C   3      22.390  18.130  25.630  1.00  0.00           C  
ATOM    314  N4   DC C   3      23.170  17.590  26.540  1.00  0.00           N  
ATOM    315  C5   DC C   3      22.840  19.270  24.960  1.00  0.00           C  
ATOM    316  C6   DC C   3      22.130  19.670  23.840  1.00  0.00           C  
ATOM    317  H41  DC C   3      23.000  16.680  26.920  1.00  0.00           H  
ATOM    318  H42  DC C   3      24.000  18.090  26.810  1.00  0.00           H  
ATOM    319  P    DT C   4      16.920  22.860  21.700  1.00  0.00           P  
ATOM    320  OP1  DT C   4      16.120  23.400  20.580  1.00  0.00           O  
ATOM    321  OP2  DT C   4      17.630  23.800  22.590  1.00  0.00           O  
ATOM    322  O5'  DT C   4      15.950  21.930  22.550  1.00  0.00           O  
ATOM    323  C5'  DT C   4      15.130  21.030  21.790  1.00  0.00           C  
ATOM    324  C4'  DT C   4      14.590  19.910  22.650  1.00  0.00           C  
ATOM    325  O4'  DT C   4      15.690  19.270  23.330  1.00  0.00           O  
ATOM    326  C3'  DT C   4      13.630  20.370  23.730  1.00  0.00           C  
ATOM    327  O3'  DT C   4      12.440  19.600  23.470  1.00  0.00           O  
ATOM    328  C2'  DT C   4      14.330  20.180  25.040  1.00  0.00           C  
ATOM    329  C1'  DT C   4      15.290  19.050  24.690  1.00  0.00           C  
ATOM    330  N1   DT C   4      16.530  19.130  25.480  1.00  0.00           N  
ATOM    331  C2   DT C   4      17.040  18.000  26.150  1.00  0.00           C  
ATOM    332  O2   DT C   4      16.600  16.870  25.990  1.00  0.00           O  
ATOM    333  N3   DT C   4      18.180  18.130  26.930  1.00  0.00           N  
ATOM    334  C4   DT C   4      18.850  19.340  26.990  1.00  0.00           C  
ATOM    335  O4   DT C   4      19.650  19.410  27.920  1.00  0.00           O  
ATOM    336  C5   DT C   4      18.410  20.470  26.280  1.00  0.00           C  
ATOM    337  C7   DT C   4      19.270  21.730  26.160  1.00  0.00           C  
ATOM    338  C6   DT C   4      17.220  20.360  25.560  1.00  0.00           C  
ATOM    339  H3   DT C   4      18.400  17.420  27.600  1.00  0.00           H  
ATOM    340  P    DC C   5      11.020  19.800  24.190  1.00  0.00           P  
ATOM    341  OP1  DC C   5      10.070  19.100  23.290  1.00  0.00           O  
ATOM    342  OP2  DC C   5      10.830  21.240  24.440  1.00  0.00           O  
ATOM    343  O5'  DC C   5      11.150  19.040  25.610  1.00  0.00           O  
ATOM    344  C5'  DC C   5      11.050  17.620  25.750  1.00  0.00           C  
ATOM    345  C4'  DC C   5      11.840  17.130  26.960  1.00  0.00           C  
ATOM    346  O4'  DC C   5      13.200  17.580  27.050  1.00  0.00           O  
ATOM    347  C3'  DC C   5      11.220  17.490  28.290  1.00  0.00           C  
ATOM    348  O3'  DC C   5      10.440  16.350  28.670  1.00  0.00           O  
ATOM    349  C2'  DC C   5      12.350  17.620  29.270  1.00  0.00           C  
ATOM    350  C1'  DC C   5      13.580  17.310  28.420  1.00  0.00           C  
ATOM    351  N1   DC C   5      14.620  18.250  28.870  1.00  0.00           N  
ATOM    352  C2   DC C   5      15.710  17.820  29.660  1.00  0.00           C  
ATOM    353  O2   DC C   5      15.640  16.790  30.320  1.00  0.00           O  
ATOM    354  N3   DC C   5      16.670  18.700  29.990  1.00  0.00           N  
ATOM    355  C4   DC C   5      16.580  19.990  29.610  1.00  0.00           C  
ATOM    356  N4   DC C   5      17.620  20.730  29.910  1.00  0.00           N  
ATOM    357  C5   DC C   5      15.510  20.510  28.880  1.00  0.00           C  
ATOM    358  C6   DC C   5      14.530  19.600  28.490  1.00  0.00           C  
ATOM    359  H41  DC C   5      18.490  20.310  30.200  1.00  0.00           H  
ATOM    360  H42  DC C   5      17.660  21.700  29.590  1.00  0.00           H  
ATOM    361  P    DA C   6       9.240  16.440  29.730  1.00  0.00           P  
ATOM    362  OP1  DA C   6       8.510  15.160  29.600  1.00  0.00           O  
ATOM    363  OP2  DA C   6       8.470  17.690  29.580  1.00  0.00           O  
ATOM    364  O5'  DA C   6      10.010  16.520  31.130  1.00  0.00           O  
ATOM    365  C5'  DA C   6      10.610  15.350  31.700  1.00  0.00           C  
ATOM    366  C4'  DA C   6      11.670  15.700  32.740  1.00  0.00           C  
ATOM    367  O4'  DA C   6      12.760  16.550  32.300  1.00  0.00           O  
ATOM    368  C3'  DA C   6      11.080  16.380  33.950  1.00  0.00           C  
ATOM    369  O3'  DA C   6      10.860  15.330  34.920  1.00  0.00           O  
ATOM    370  C2'  DA C   6      12.120  17.380  34.360  1.00  0.00           C  
ATOM    371  C1'  DA C   6      13.350  17.010  33.550  1.00  0.00           C  
ATOM    372  N9   DA C   6      14.230  18.180  33.310  1.00  0.00           N  
ATOM    373  C8   DA C   6      13.860  19.210  32.570  1.00  0.00           C  
ATOM    374  N7   DA C   6      14.870  20.070  32.420  1.00  0.00           N  
ATOM    375  C5   DA C   6      15.880  19.580  33.130  1.00  0.00           C  
ATOM    376  C6   DA C   6      17.170  20.010  33.410  1.00  0.00           C  
ATOM    377  N6   DA C   6      17.730  20.850  32.580  1.00  0.00           N  
ATOM    378  N1   DA C   6      17.990  19.310  34.220  1.00  0.00           N  
ATOM    379  C2   DA C   6      17.590  18.150  34.760  1.00  0.00           C  
ATOM    380  N3   DA C   6      16.350  17.700  34.510  1.00  0.00           N  
ATOM    381  C4   DA C   6      15.480  18.370  33.710  1.00  0.00           C  
ATOM    382  H61  DA C   6      18.630  21.240  32.810  1.00  0.00           H  
ATOM    383  H62  DA C   6      17.480  20.800  31.590  1.00  0.00           H  
ATOM    384  P    DC C   7      10.270  15.470  36.410  1.00  0.00           P  
ATOM    385  OP1  DC C   7       9.950  14.080  36.820  1.00  0.00           O  
ATOM    386  OP2  DC C   7       9.200  16.480  36.500  1.00  0.00           O  
ATOM    387  O5'  DC C   7      11.510  16.020  37.270  1.00  0.00           O  
ATOM    388  C5'  DC C   7      12.550  15.090  37.630  1.00  0.00           C  
ATOM    389  C4'  DC C   7      13.880  15.650  38.140  1.00  0.00           C  
ATOM    390  O4'  DC C   7      14.520  16.650  37.290  1.00  0.00           O  
ATOM    391  C3'  DC C   7      13.680  16.280  39.500  1.00  0.00           C  
ATOM    392  O3'  DC C   7      14.690  15.910  40.460  1.00  0.00           O  
ATOM    393  C2'  DC C   7      13.760  17.730  39.140  1.00  0.00           C  
ATOM    394  C1'  DC C   7      14.930  17.710  38.190  1.00  0.00           C  
ATOM    395  N1   DC C   7      15.100  18.940  37.380  1.00  0.00           N  
ATOM    396  C2   DC C   7      16.350  19.580  37.250  1.00  0.00           C  
ATOM    397  O2   DC C   7      17.360  19.210  37.850  1.00  0.00           O  
ATOM    398  N3   DC C   7      16.410  20.700  36.500  1.00  0.00           N  
ATOM    399  C4   DC C   7      15.310  21.220  35.930  1.00  0.00           C  
ATOM    400  N4   DC C   7      15.510  22.240  35.150  1.00  0.00           N  
ATOM    401  C5   DC C   7      14.040  20.660  36.040  1.00  0.00           C  
ATOM    402  C6   DC C   7      13.960  19.500  36.790  1.00  0.00           C  
ATOM    403  H41  DC C   7      16.450  22.590  35.060  1.00  0.00           H  
ATOM    404  H42  DC C   7      14.740  22.720  34.700  1.00  0.00           H  
ATOM    405  P    DA C   8      14.460  16.120  42.040  1.00  0.00           P  
ATOM    406  OP1  DA C   8      14.590  14.800  42.700  1.00  0.00           O  
ATOM    407  OP2  DA C   8      13.210  16.870  42.310  1.00  0.00           O  
ATOM    408  O5'  DA C   8      15.620  17.120  42.490  1.00  0.00           O  
ATOM    409  C5'  DA C   8      16.960  16.680  42.690  1.00  0.00           C  
ATOM    410  C4'  DA C   8      17.910  17.830  43.010  1.00  0.00           C  
ATOM    411  O4'  DA C   8      17.860  18.780  41.930  1.00  0.00           O  
ATOM    412  C3'  DA C   8      17.510  18.600  44.260  1.00  0.00           C  
ATOM    413  O3'  DA C   8      18.690  19.030  44.970  1.00  0.00           O  
ATOM    414  C2'  DA C   8      16.760  19.810  43.770  1.00  0.00           C  
ATOM    415  C1'  DA C   8      17.550  20.070  42.490  1.00  0.00           C  
ATOM    416  N9   DA C   8      16.750  20.790  41.480  1.00  0.00           N  
ATOM    417  C8   DA C   8      15.480  20.560  41.200  1.00  0.00           C  
ATOM    418  N7   DA C   8      15.040  21.370  40.240  1.00  0.00           N  
ATOM    419  C5   DA C   8      16.080  22.130  39.880  1.00  0.00           C  
ATOM    420  C6   DA C   8      16.340  23.100  38.900  1.00  0.00           C  
ATOM    421  N6   DA C   8      15.380  23.680  38.200  1.00  0.00           N  
ATOM    422  N1   DA C   8      17.580  23.600  38.770  1.00  0.00           N  
ATOM    423  C2   DA C   8      18.590  23.210  39.550  1.00  0.00           C  
ATOM    424  N3   DA C   8      18.390  22.290  40.490  1.00  0.00           N  
ATOM    425  C4   DA C   8      17.170  21.750  40.670  1.00  0.00           C  
ATOM    426  H61  DA C   8      15.570  24.340  37.470  1.00  0.00           H  
ATOM    427  H62  DA C   8      14.420  23.550  38.510  1.00  0.00           H  
ATOM    428  P    DA C   9      19.510  18.070  45.950  1.00  0.00           P  
ATOM    429  OP1  DA C   9      19.900  16.790  45.310  1.00  0.00           O  
ATOM    430  OP2  DA C   9      18.770  18.000  47.220  1.00  0.00           O  
ATOM    431  O5'  DA C   9      20.760  19.030  46.290  1.00  0.00           O  
ATOM    432  C5'  DA C   9      22.090  18.870  45.770  1.00  0.00           C  
ATOM    433  C4'  DA C   9      22.790  20.200  45.530  1.00  0.00           C  
ATOM    434  O4'  DA C   9      21.940  20.960  44.630  1.00  0.00           O  
ATOM    435  C3'  DA C   9      23.030  21.100  46.750  1.00  0.00           C  
ATOM    436  O3'  DA C   9      24.360  21.670  46.690  1.00  0.00           O  
ATOM    437  C2'  DA C   9      21.960  22.140  46.610  1.00  0.00           C  
ATOM    438  C1'  DA C   9      21.810  22.320  45.100  1.00  0.00           C  
ATOM    439  N9   DA C   9      20.460  22.820  44.760  1.00  0.00           N  
ATOM    440  C8   DA C   9      19.340  22.270  45.220  1.00  0.00           C  
ATOM    441  N7   DA C   9      18.270  22.860  44.690  1.00  0.00           N  
ATOM    442  C5   DA C   9      18.720  23.810  43.870  1.00  0.00           C  
ATOM    443  C6   DA C   9      18.140  24.640  42.910  1.00  0.00           C  
ATOM    444  N6   DA C   9      16.840  24.830  42.950  1.00  0.00           N  
ATOM    445  N1   DA C   9      18.880  25.370  42.050  1.00  0.00           N  
ATOM    446  C2   DA C   9      20.220  25.350  42.140  1.00  0.00           C  
ATOM    447  N3   DA C   9      20.810  24.600  43.080  1.00  0.00           N  
ATOM    448  C4   DA C   9      20.120  23.800  43.920  1.00  0.00           C  
ATOM    449  H61  DA C   9      16.350  25.450  42.330  1.00  0.00           H  
ATOM    450  H62  DA C   9      16.300  24.250  43.590  1.00  0.00           H  
ATOM    451  P    DT C  10      25.000  22.540  47.890  1.00  0.00           P  
ATOM    452  OP1  DT C  10      26.480  22.430  47.890  1.00  0.00           O  
ATOM    453  OP2  DT C  10      24.270  22.250  49.140  1.00  0.00           O  
ATOM    454  O5'  DT C  10      24.570  24.050  47.520  1.00  0.00           O  
ATOM    455  C5'  DT C  10      25.140  24.680  46.360  1.00  0.00           C  
ATOM    456  C4'  DT C  10      24.450  25.980  45.970  1.00  0.00           C  
ATOM    457  O4'  DT C  10      23.080  25.740  45.640  1.00  0.00           O  
ATOM    458  C3'  DT C  10      24.460  27.060  47.050  1.00  0.00           C  
ATOM    459  O3'  DT C  10      25.420  28.070  46.700  1.00  0.00           O  
ATOM    460  C2'  DT C  10      23.030  27.590  47.120  1.00  0.00           C  
ATOM    461  C1'  DT C  10      22.440  27.000  45.850  1.00  0.00           C  
ATOM    462  N1   DT C  10      21.010  26.640  45.930  1.00  0.00           N  
ATOM    463  C2   DT C  10      20.070  27.220  45.070  1.00  0.00           C  
ATOM    464  O2   DT C  10      20.380  27.870  44.080  1.00  0.00           O  
ATOM    465  N3   DT C  10      18.720  26.860  45.190  1.00  0.00           N  
ATOM    466  C4   DT C  10      18.330  25.910  46.140  1.00  0.00           C  
ATOM    467  O4   DT C  10      17.130  25.830  46.360  1.00  0.00           O  
ATOM    468  C5   DT C  10      19.270  25.290  46.980  1.00  0.00           C  
ATOM    469  C7   DT C  10      18.890  24.310  48.090  1.00  0.00           C  
ATOM    470  C6   DT C  10      20.610  25.660  46.860  1.00  0.00           C  
ATOM    471  H3   DT C  10      18.040  27.400  44.710  1.00  0.00           H  
ATOM    472  P    DT C  11      25.960  29.170  47.740  1.00  0.00           P  
ATOM    473  OP1  DT C  11      27.260  29.640  47.190  1.00  0.00           O  
ATOM    474  OP2  DT C  11      25.910  28.520  49.080  1.00  0.00           O  
ATOM    475  O5'  DT C  11      24.850  30.320  47.620  1.00  0.00           O  
ATOM    476  C5'  DT C  11      24.700  31.050  46.380  1.00  0.00           C  
ATOM    477  C4'  DT C  11      23.360  31.750  46.270  1.00  0.00           C  
ATOM    478  O4'  DT C  11      22.270  30.830  46.210  1.00  0.00           O  
ATOM    479  C3'  DT C  11      23.060  32.570  47.500  1.00  0.00           C  
ATOM    480  O3'  DT C  11      23.810  33.780  47.520  1.00  0.00           O  
ATOM    481  C2'  DT C  11      21.560  32.820  47.400  1.00  0.00           C  
ATOM    482  C1'  DT C  11      21.130  31.610  46.580  1.00  0.00           C  
ATOM    483  N1   DT C  11      20.230  30.650  47.250  1.00  0.00           N  
ATOM    484  C2   DT C  11      19.140  30.180  46.500  1.00  0.00           C  
ATOM    485  O2   DT C  11      18.990  30.480  45.320  1.00  0.00           O  
ATOM    486  N3   DT C  11      18.400  29.100  46.970  1.00  0.00           N  
ATOM    487  C4   DT C  11      18.740  28.500  48.190  1.00  0.00           C  
ATOM    488  O4   DT C  11      18.000  27.610  48.580  1.00  0.00           O  
ATOM    489  C5   DT C  11      19.840  28.940  48.940  1.00  0.00           C  
ATOM    490  C7   DT C  11      20.240  28.300  50.280  1.00  0.00           C  
ATOM    491  C6   DT C  11      20.590  30.000  48.460  1.00  0.00           C  
ATOM    492 HO3'  DT C  11      23.370  34.380  48.260  1.00  0.00           H  
ATOM    493  H3   DT C  11      17.580  28.820  46.480  1.00  0.00           H  
TER     494       DT C  11                                                      
ATOM    495  N   MET A   1      28.840  26.280   6.820  1.00  0.00           N  
ATOM    496  CA  MET A   1      28.860  27.480   7.700  1.00  0.00           C  
ATOM    497  C   MET A   1      29.540  27.200   9.060  1.00  0.00           C  
ATOM    498  O   MET A   1      29.680  26.040   9.450  1.00  0.00           O  
ATOM    499  CB  MET A   1      27.440  28.050   7.930  1.00  0.00           C  
ATOM    500  CG  MET A   1      26.750  28.560   6.660  1.00  0.00           C  
ATOM    501  SD  MET A   1      27.770  29.810   5.790  1.00  0.00           S  
ATOM    502  CE  MET A   1      27.000  30.060   4.210  1.00  0.00           C  
ATOM    503  H1  MET A   1      28.590  25.470   7.350  1.00  0.00           H  
ATOM    504  H2  MET A   1      28.190  26.400   6.070  1.00  0.00           H  
ATOM    505  H3  MET A   1      29.750  26.150   6.430  1.00  0.00           H  
ATOM    506  N   LYS A   2      30.020  28.240   9.740  1.00  0.00           N  
ATOM    507  CA  LYS A   2      30.670  28.100  11.060  1.00  0.00           C  
ATOM    508  C   LYS A   2      29.680  27.480  12.070  1.00  0.00           C  
ATOM    509  O   LYS A   2      28.610  28.060  12.280  1.00  0.00           O  
ATOM    510  CB  LYS A   2      31.150  29.460  11.570  1.00  0.00           C  
ATOM    511  CG  LYS A   2      31.990  29.290  12.840  1.00  0.00           C  
ATOM    512  CD  LYS A   2      32.180  30.610  13.590  1.00  0.00           C  
ATOM    513  CE  LYS A   2      33.160  30.420  14.740  1.00  0.00           C  
ATOM    514  NZ  LYS A   2      33.660  31.710  15.190  1.00  0.00           N  
ATOM    515  H   LYS A   2      29.970  29.180   9.380  1.00  0.00           H  
ATOM    516  HZ1 LYS A   2      32.910  32.370  15.330  1.00  0.00           H  
ATOM    517  HZ2 LYS A   2      34.070  31.580  16.100  1.00  0.00           H  
ATOM    518  HZ3 LYS A   2      34.310  32.100  14.540  1.00  0.00           H  
ATOM    519  N   PRO A   3      30.010  26.330  12.670  1.00  0.00           N  
ATOM    520  CA  PRO A   3      29.090  25.670  13.620  1.00  0.00           C  
ATOM    521  C   PRO A   3      28.960  26.420  14.960  1.00  0.00           C  
ATOM    522  O   PRO A   3      29.590  26.090  15.960  1.00  0.00           O  
ATOM    523  CB  PRO A   3      29.630  24.240  13.740  1.00  0.00           C  
ATOM    524  CG  PRO A   3      31.120  24.400  13.460  1.00  0.00           C  
ATOM    525  CD  PRO A   3      31.220  25.520  12.430  1.00  0.00           C  
ATOM    526  N   VAL A   4      28.250  27.560  14.910  1.00  0.00           N  
ATOM    527  CA  VAL A   4      27.950  28.430  16.070  1.00  0.00           C  
ATOM    528  C   VAL A   4      26.890  27.700  16.900  1.00  0.00           C  
ATOM    529  O   VAL A   4      25.890  27.230  16.350  1.00  0.00           O  
ATOM    530  CB  VAL A   4      27.430  29.840  15.660  1.00  0.00           C  
ATOM    531  CG1 VAL A   4      27.580  30.850  16.810  1.00  0.00           C  
ATOM    532  CG2 VAL A   4      28.200  30.440  14.490  1.00  0.00           C  
ATOM    533  H   VAL A   4      27.930  27.910  14.030  1.00  0.00           H  
ATOM    534  N   THR A   5      27.260  27.450  18.150  1.00  0.00           N  
ATOM    535  CA  THR A   5      26.420  26.660  19.080  1.00  0.00           C  
ATOM    536  C   THR A   5      25.590  27.540  20.010  1.00  0.00           C  
ATOM    537  O   THR A   5      25.810  28.750  20.100  1.00  0.00           O  
ATOM    538  CB  THR A   5      27.160  25.680  20.010  1.00  0.00           C  
ATOM    539  OG1 THR A   5      28.190  26.300  20.780  1.00  0.00           O  
ATOM    540  CG2 THR A   5      27.540  24.380  19.320  1.00  0.00           C  
ATOM    541  H   THR A   5      28.050  27.930  18.560  1.00  0.00           H  
ATOM    542  HG1 THR A   5      28.800  26.880  20.180  1.00  0.00           H  
ATOM    543  N   LEU A   6      24.670  26.870  20.690  1.00  0.00           N  
ATOM    544  CA  LEU A   6      24.000  27.380  21.910  1.00  0.00           C  
ATOM    545  C   LEU A   6      24.970  28.020  22.920  1.00  0.00           C  
ATOM    546  O   LEU A   6      24.650  29.090  23.430  1.00  0.00           O  
ATOM    547  CB  LEU A   6      23.230  26.290  22.660  1.00  0.00           C  
ATOM    548  CG  LEU A   6      21.850  25.950  22.090  1.00  0.00           C  
ATOM    549  CD1 LEU A   6      21.180  24.900  22.980  1.00  0.00           C  
ATOM    550  CD2 LEU A   6      20.940  27.180  21.990  1.00  0.00           C  
ATOM    551  H   LEU A   6      24.330  25.970  20.380  1.00  0.00           H  
ATOM    552  N   TYR A   7      26.170  27.430  23.100  1.00  0.00           N  
ATOM    553  CA  TYR A   7      27.200  27.950  24.040  1.00  0.00           C  
ATOM    554  C   TYR A   7      27.740  29.310  23.600  1.00  0.00           C  
ATOM    555  O   TYR A   7      27.790  30.240  24.400  1.00  0.00           O  
ATOM    556  CB  TYR A   7      28.430  27.050  24.190  1.00  0.00           C  
ATOM    557  CG  TYR A   7      28.150  25.690  24.790  1.00  0.00           C  
ATOM    558  CD1 TYR A   7      27.580  24.710  23.940  1.00  0.00           C  
ATOM    559  CD2 TYR A   7      28.350  25.480  26.170  1.00  0.00           C  
ATOM    560  CE1 TYR A   7      27.170  23.500  24.500  1.00  0.00           C  
ATOM    561  CE2 TYR A   7      27.940  24.260  26.730  1.00  0.00           C  
ATOM    562  CZ  TYR A   7      27.340  23.310  25.890  1.00  0.00           C  
ATOM    563  OH  TYR A   7      26.840  22.190  26.440  1.00  0.00           O  
ATOM    564  H   TYR A   7      26.450  26.620  22.590  1.00  0.00           H  
ATOM    565  HH  TYR A   7      26.350  21.710  25.690  1.00  0.00           H  
ATOM    566  N   ASP A   8      28.220  29.360  22.360  1.00  0.00           N  
ATOM    567  CA  ASP A   8      28.740  30.600  21.750  1.00  0.00           C  
ATOM    568  C   ASP A   8      27.790  31.790  21.940  1.00  0.00           C  
ATOM    569  O   ASP A   8      28.170  32.760  22.610  1.00  0.00           O  
ATOM    570  CB  ASP A   8      29.000  30.300  20.270  1.00  0.00           C  
ATOM    571  CG  ASP A   8      30.040  29.180  20.090  1.00  0.00           C  
ATOM    572  OD1 ASP A   8      31.200  29.390  20.480  1.00  0.00           O  
ATOM    573  OD2 ASP A   8      29.690  28.130  19.510  1.00  0.00           O  
ATOM    574  H   ASP A   8      28.450  28.540  21.830  1.00  0.00           H  
ATOM    575  N   VAL A   9      26.510  31.580  21.640  1.00  0.00           N  
ATOM    576  CA  VAL A   9      25.520  32.660  21.820  1.00  0.00           C  
ATOM    577  C   VAL A   9      25.230  33.010  23.290  1.00  0.00           C  
ATOM    578  O   VAL A   9      25.190  34.190  23.650  1.00  0.00           O  
ATOM    579  CB  VAL A   9      24.250  32.500  20.960  1.00  0.00           C  
ATOM    580  CG1 VAL A   9      24.540  32.850  19.500  1.00  0.00           C  
ATOM    581  CG2 VAL A   9      23.570  31.120  21.080  1.00  0.00           C  
ATOM    582  H   VAL A   9      26.160  30.690  21.350  1.00  0.00           H  
ATOM    583  N   ALA A  10      25.370  32.000  24.160  1.00  0.00           N  
ATOM    584  CA  ALA A  10      25.180  32.120  25.620  1.00  0.00           C  
ATOM    585  C   ALA A  10      26.320  32.910  26.300  1.00  0.00           C  
ATOM    586  O   ALA A  10      26.070  33.850  27.050  1.00  0.00           O  
ATOM    587  CB  ALA A  10      25.110  30.740  26.280  1.00  0.00           C  
ATOM    588  H   ALA A  10      25.670  31.100  23.860  1.00  0.00           H  
ATOM    589  N   GLU A  11      27.550  32.440  26.100  1.00  0.00           N  
ATOM    590  CA  GLU A  11      28.760  33.180  26.520  1.00  0.00           C  
ATOM    591  C   GLU A  11      28.770  34.620  25.960  1.00  0.00           C  
ATOM    592  O   GLU A  11      29.030  35.570  26.690  1.00  0.00           O  
ATOM    593  CB  GLU A  11      30.050  32.490  26.070  1.00  0.00           C  
ATOM    594  CG  GLU A  11      30.100  31.000  26.400  1.00  0.00           C  
ATOM    595  CD  GLU A  11      31.520  30.450  26.350  1.00  0.00           C  
ATOM    596  OE1 GLU A  11      32.060  30.250  25.250  1.00  0.00           O  
ATOM    597  OE2 GLU A  11      32.110  30.320  27.440  1.00  0.00           O  
ATOM    598  H   GLU A  11      27.690  31.480  25.840  1.00  0.00           H  
ATOM    599  N   TYR A  12      28.400  34.760  24.680  1.00  0.00           N  
ATOM    600  CA  TYR A  12      28.340  36.090  24.030  1.00  0.00           C  
ATOM    601  C   TYR A  12      27.360  37.090  24.680  1.00  0.00           C  
ATOM    602  O   TYR A  12      27.670  38.270  24.830  1.00  0.00           O  
ATOM    603  CB  TYR A  12      28.030  35.910  22.540  1.00  0.00           C  
ATOM    604  CG  TYR A  12      28.620  37.040  21.690  1.00  0.00           C  
ATOM    605  CD1 TYR A  12      29.980  36.950  21.330  1.00  0.00           C  
ATOM    606  CD2 TYR A  12      27.780  38.030  21.140  1.00  0.00           C  
ATOM    607  CE1 TYR A  12      30.510  37.850  20.400  1.00  0.00           C  
ATOM    608  CE2 TYR A  12      28.310  38.950  20.200  1.00  0.00           C  
ATOM    609  CZ  TYR A  12      29.680  38.840  19.850  1.00  0.00           C  
ATOM    610  OH  TYR A  12      30.260  39.790  19.070  1.00  0.00           O  
ATOM    611  H   TYR A  12      28.390  33.980  24.050  1.00  0.00           H  
ATOM    612  HH  TYR A  12      31.300  39.730  19.170  1.00  0.00           H  
ATOM    613  N   ALA A  13      26.260  36.530  25.160  1.00  0.00           N  
ATOM    614  CA  ALA A  13      25.210  37.230  25.930  1.00  0.00           C  
ATOM    615  C   ALA A  13      25.470  37.450  27.440  1.00  0.00           C  
ATOM    616  O   ALA A  13      24.830  38.260  28.100  1.00  0.00           O  
ATOM    617  CB  ALA A  13      23.920  36.440  25.770  1.00  0.00           C  
ATOM    618  H   ALA A  13      25.980  35.640  24.780  1.00  0.00           H  
ATOM    619  N   GLY A  14      26.330  36.590  27.960  1.00  0.00           N  
ATOM    620  CA  GLY A  14      26.640  36.440  29.400  1.00  0.00           C  
ATOM    621  C   GLY A  14      25.600  35.600  30.170  1.00  0.00           C  
ATOM    622  O   GLY A  14      25.000  36.090  31.130  1.00  0.00           O  
ATOM    623  H   GLY A  14      26.880  36.030  27.340  1.00  0.00           H  
ATOM    624  N   VAL A  15      25.260  34.440  29.620  1.00  0.00           N  
ATOM    625  CA  VAL A  15      24.270  33.500  30.210  1.00  0.00           C  
ATOM    626  C   VAL A  15      24.670  32.030  30.010  1.00  0.00           C  
ATOM    627  O   VAL A  15      25.690  31.740  29.370  1.00  0.00           O  
ATOM    628  CB  VAL A  15      22.830  33.770  29.750  1.00  0.00           C  
ATOM    629  CG1 VAL A  15      22.110  34.630  30.790  1.00  0.00           C  
ATOM    630  CG2 VAL A  15      22.690  34.340  28.330  1.00  0.00           C  
ATOM    631  H   VAL A  15      25.620  34.150  28.730  1.00  0.00           H  
ATOM    632  N   SER A  16      23.940  31.140  30.670  1.00  0.00           N  
ATOM    633  CA  SER A  16      24.140  29.680  30.530  1.00  0.00           C  
ATOM    634  C   SER A  16      23.570  29.130  29.220  1.00  0.00           C  
ATOM    635  O   SER A  16      22.490  29.550  28.800  1.00  0.00           O  
ATOM    636  CB  SER A  16      23.460  28.910  31.680  1.00  0.00           C  
ATOM    637  OG  SER A  16      23.520  27.500  31.420  1.00  0.00           O  
ATOM    638  H   SER A  16      23.240  31.430  31.330  1.00  0.00           H  
ATOM    639  HG  SER A  16      23.950  27.070  32.270  1.00  0.00           H  
ATOM    640  N   TYR A  17      24.140  28.040  28.720  1.00  0.00           N  
ATOM    641  CA  TYR A  17      23.630  27.260  27.580  1.00  0.00           C  
ATOM    642  C   TYR A  17      22.160  26.820  27.770  1.00  0.00           C  
ATOM    643  O   TYR A  17      21.370  26.930  26.840  1.00  0.00           O  
ATOM    644  CB  TYR A  17      24.610  26.110  27.310  1.00  0.00           C  
ATOM    645  CG  TYR A  17      24.080  24.670  27.370  1.00  0.00           C  
ATOM    646  CD1 TYR A  17      24.060  24.000  28.620  1.00  0.00           C  
ATOM    647  CD2 TYR A  17      23.550  24.070  26.210  1.00  0.00           C  
ATOM    648  CE1 TYR A  17      23.460  22.740  28.710  1.00  0.00           C  
ATOM    649  CE2 TYR A  17      22.930  22.810  26.310  1.00  0.00           C  
ATOM    650  CZ  TYR A  17      22.880  22.160  27.560  1.00  0.00           C  
ATOM    651  OH  TYR A  17      22.190  21.000  27.720  1.00  0.00           O  
ATOM    652  H   TYR A  17      25.040  27.730  29.090  1.00  0.00           H  
ATOM    653  HH  TYR A  17      22.570  20.500  28.510  1.00  0.00           H  
ATOM    654  N   GLN A  18      21.780  26.550  29.020  1.00  0.00           N  
ATOM    655  CA  GLN A  18      20.460  25.990  29.380  1.00  0.00           C  
ATOM    656  C   GLN A  18      19.380  27.080  29.450  1.00  0.00           C  
ATOM    657  O   GLN A  18      18.300  26.940  28.880  1.00  0.00           O  
ATOM    658  CB  GLN A  18      20.630  25.260  30.720  1.00  0.00           C  
ATOM    659  CG  GLN A  18      19.490  24.290  31.020  1.00  0.00           C  
ATOM    660  CD  GLN A  18      19.330  23.280  29.880  1.00  0.00           C  
ATOM    661  OE1 GLN A  18      18.330  23.260  29.170  1.00  0.00           O  
ATOM    662  NE2 GLN A  18      20.140  22.250  29.920  1.00  0.00           N  
ATOM    663  H   GLN A  18      22.320  26.890  29.790  1.00  0.00           H  
ATOM    664 HE21 GLN A  18      20.670  22.100  30.760  1.00  0.00           H  
ATOM    665 HE22 GLN A  18      20.240  21.660  29.120  1.00  0.00           H  
ATOM    666  N   THR A  19      19.820  28.230  29.960  1.00  0.00           N  
ATOM    667  CA  THR A  19      19.110  29.530  29.930  1.00  0.00           C  
ATOM    668  C   THR A  19      18.800  29.950  28.480  1.00  0.00           C  
ATOM    669  O   THR A  19      17.660  30.270  28.160  1.00  0.00           O  
ATOM    670  CB  THR A  19      20.030  30.520  30.680  1.00  0.00           C  
ATOM    671  OG1 THR A  19      20.300  29.980  31.980  1.00  0.00           O  
ATOM    672  CG2 THR A  19      19.530  31.960  30.780  1.00  0.00           C  
ATOM    673  H   THR A  19      20.690  28.270  30.450  1.00  0.00           H  
ATOM    674  HG1 THR A  19      19.550  30.220  32.620  1.00  0.00           H  
ATOM    675  N   VAL A  20      19.780  29.810  27.580  1.00  0.00           N  
ATOM    676  CA  VAL A  20      19.670  30.120  26.130  1.00  0.00           C  
ATOM    677  C   VAL A  20      18.910  29.040  25.340  1.00  0.00           C  
ATOM    678  O   VAL A  20      18.140  29.350  24.430  1.00  0.00           O  
ATOM    679  CB  VAL A  20      21.080  30.450  25.590  1.00  0.00           C  
ATOM    680  CG1 VAL A  20      21.200  30.590  24.070  1.00  0.00           C  
ATOM    681  CG2 VAL A  20      21.510  31.800  26.140  1.00  0.00           C  
ATOM    682  H   VAL A  20      20.690  29.480  27.860  1.00  0.00           H  
ATOM    683  N   SER A  21      19.060  27.770  25.720  1.00  0.00           N  
ATOM    684  CA  SER A  21      18.140  26.720  25.220  1.00  0.00           C  
ATOM    685  C   SER A  21      16.700  27.060  25.610  1.00  0.00           C  
ATOM    686  O   SER A  21      15.900  27.110  24.700  1.00  0.00           O  
ATOM    687  CB  SER A  21      18.540  25.330  25.740  1.00  0.00           C  
ATOM    688  OG  SER A  21      17.640  24.320  25.260  1.00  0.00           O  
ATOM    689  H   SER A  21      19.860  27.440  26.240  1.00  0.00           H  
ATOM    690  HG  SER A  21      17.730  24.180  24.240  1.00  0.00           H  
ATOM    691  N   ARG A  22      16.450  27.480  26.850  1.00  0.00           N  
ATOM    692  CA  ARG A  22      15.160  28.010  27.370  1.00  0.00           C  
ATOM    693  C   ARG A  22      14.700  29.420  26.940  1.00  0.00           C  
ATOM    694  O   ARG A  22      13.710  29.980  27.410  1.00  0.00           O  
ATOM    695  CB  ARG A  22      15.190  27.950  28.900  1.00  0.00           C  
ATOM    696  CG  ARG A  22      15.060  26.490  29.320  1.00  0.00           C  
ATOM    697  CD  ARG A  22      14.990  26.360  30.820  1.00  0.00           C  
ATOM    698  NE  ARG A  22      15.120  24.930  31.050  1.00  0.00           N  
ATOM    699  CZ  ARG A  22      15.890  24.300  31.940  1.00  0.00           C  
ATOM    700  NH1 ARG A  22      16.590  24.950  32.880  1.00  0.00           N  
ATOM    701  NH2 ARG A  22      15.910  22.970  31.850  1.00  0.00           N  
ATOM    702  H   ARG A  22      17.080  27.240  27.590  1.00  0.00           H  
ATOM    703  HE  ARG A  22      14.490  24.370  30.510  1.00  0.00           H  
ATOM    704 HH11 ARG A  22      16.870  25.910  32.720  1.00  0.00           H  
ATOM    705 HH12 ARG A  22      16.980  24.480  33.680  1.00  0.00           H  
ATOM    706 HH21 ARG A  22      15.220  22.540  31.250  1.00  0.00           H  
ATOM    707 HH22 ARG A  22      16.510  22.390  32.400  1.00  0.00           H  
ATOM    708  N   VAL A  23      15.410  29.890  25.930  1.00  0.00           N  
ATOM    709  CA  VAL A  23      15.000  31.000  25.060  1.00  0.00           C  
ATOM    710  C   VAL A  23      14.580  30.470  23.660  1.00  0.00           C  
ATOM    711  O   VAL A  23      13.620  30.980  23.090  1.00  0.00           O  
ATOM    712  CB  VAL A  23      16.130  32.040  25.060  1.00  0.00           C  
ATOM    713  CG1 VAL A  23      15.860  33.180  24.080  1.00  0.00           C  
ATOM    714  CG2 VAL A  23      16.240  32.660  26.450  1.00  0.00           C  
ATOM    715  H   VAL A  23      16.350  29.580  25.790  1.00  0.00           H  
ATOM    716  N   VAL A  24      15.030  29.270  23.330  1.00  0.00           N  
ATOM    717  CA  VAL A  24      14.680  28.560  22.080  1.00  0.00           C  
ATOM    718  C   VAL A  24      13.520  27.570  22.300  1.00  0.00           C  
ATOM    719  O   VAL A  24      12.520  27.640  21.600  1.00  0.00           O  
ATOM    720  CB  VAL A  24      15.920  27.930  21.430  1.00  0.00           C  
ATOM    721  CG1 VAL A  24      15.620  26.970  20.270  1.00  0.00           C  
ATOM    722  CG2 VAL A  24      16.860  29.030  20.940  1.00  0.00           C  
ATOM    723  H   VAL A  24      15.610  28.720  23.950  1.00  0.00           H  
ATOM    724  N   ASN A  25      13.740  26.610  23.200  1.00  0.00           N  
ATOM    725  CA  ASN A  25      12.790  25.570  23.590  1.00  0.00           C  
ATOM    726  C   ASN A  25      12.880  25.240  25.090  1.00  0.00           C  
ATOM    727  O   ASN A  25      13.950  25.390  25.670  1.00  0.00           O  
ATOM    728  CB  ASN A  25      13.140  24.320  22.770  1.00  0.00           C  
ATOM    729  CG  ASN A  25      12.490  24.400  21.380  1.00  0.00           C  
ATOM    730  OD1 ASN A  25      11.310  24.670  21.240  1.00  0.00           O  
ATOM    731  ND2 ASN A  25      13.200  24.130  20.300  1.00  0.00           N  
ATOM    732  H   ASN A  25      14.640  26.530  23.650  1.00  0.00           H  
ATOM    733 HD21 ASN A  25      14.210  24.060  20.320  1.00  0.00           H  
ATOM    734 HD22 ASN A  25      12.730  24.180  19.410  1.00  0.00           H  
ATOM    735  N   GLN A  26      11.840  24.590  25.610  1.00  0.00           N  
ATOM    736  CA  GLN A  26      11.640  24.200  27.040  1.00  0.00           C  
ATOM    737  C   GLN A  26      11.590  25.390  28.030  1.00  0.00           C  
ATOM    738  O   GLN A  26      11.850  25.250  29.230  1.00  0.00           O  
ATOM    739  CB  GLN A  26      12.710  23.180  27.460  1.00  0.00           C  
ATOM    740  CG  GLN A  26      12.160  22.100  28.390  1.00  0.00           C  
ATOM    741  CD  GLN A  26      12.590  22.210  29.860  1.00  0.00           C  
ATOM    742  OE1 GLN A  26      13.600  22.760  30.260  1.00  0.00           O  
ATOM    743  NE2 GLN A  26      11.870  21.510  30.700  1.00  0.00           N  
ATOM    744  H   GLN A  26      11.140  24.210  25.000  1.00  0.00           H  
ATOM    745 HE21 GLN A  26      11.160  20.890  30.290  1.00  0.00           H  
ATOM    746 HE22 GLN A  26      12.030  21.510  31.680  1.00  0.00           H  
ATOM    747  N   ALA A  27      11.060  26.490  27.510  1.00  0.00           N  
ATOM    748  CA  ALA A  27      11.150  27.840  28.110  1.00  0.00           C  
ATOM    749  C   ALA A  27      10.440  28.020  29.460  1.00  0.00           C  
ATOM    750  O   ALA A  27       9.230  27.820  29.570  1.00  0.00           O  
ATOM    751  CB  ALA A  27      10.660  28.830  27.070  1.00  0.00           C  
ATOM    752  H   ALA A  27      10.540  26.480  26.650  1.00  0.00           H  
ATOM    753  N   SER A  28      11.290  28.070  30.480  1.00  0.00           N  
ATOM    754  CA  SER A  28      10.980  28.630  31.810  1.00  0.00           C  
ATOM    755  C   SER A  28      12.170  29.440  32.330  1.00  0.00           C  
ATOM    756  O   SER A  28      13.340  29.170  32.010  1.00  0.00           O  
ATOM    757  CB  SER A  28      10.590  27.570  32.860  1.00  0.00           C  
ATOM    758  OG  SER A  28      11.690  26.710  33.180  1.00  0.00           O  
ATOM    759  H   SER A  28      12.200  27.680  30.390  1.00  0.00           H  
ATOM    760  HG  SER A  28      11.520  25.780  32.750  1.00  0.00           H  
ATOM    761  N   HIS A  29      11.800  30.420  33.150  1.00  0.00           N  
ATOM    762  CA  HIS A  29      12.650  31.340  33.930  1.00  0.00           C  
ATOM    763  C   HIS A  29      13.580  32.240  33.090  1.00  0.00           C  
ATOM    764  O   HIS A  29      14.810  32.170  33.140  1.00  0.00           O  
ATOM    765  CB  HIS A  29      13.380  30.590  35.050  1.00  0.00           C  
ATOM    766  CG  HIS A  29      12.510  29.870  36.100  1.00  0.00           C  
ATOM    767  ND1 HIS A  29      11.990  30.340  37.240  1.00  0.00           N  
ATOM    768  CD2 HIS A  29      12.270  28.570  36.040  1.00  0.00           C  
ATOM    769  CE1 HIS A  29      11.450  29.300  37.880  1.00  0.00           C  
ATOM    770  NE2 HIS A  29      11.610  28.210  37.130  1.00  0.00           N  
ATOM    771  H   HIS A  29      10.830  30.470  33.410  1.00  0.00           H  
ATOM    772  HD1 HIS A  29      11.860  31.310  37.490  1.00  0.00           H  
ATOM    773  HE2 HIS A  29      11.440  27.240  37.400  1.00  0.00           H  
ATOM    774  N   VAL A  30      12.960  33.170  32.370  1.00  0.00           N  
ATOM    775  CA  VAL A  30      13.720  34.170  31.580  1.00  0.00           C  
ATOM    776  C   VAL A  30      13.350  35.610  31.960  1.00  0.00           C  
ATOM    777  O   VAL A  30      12.180  35.960  32.070  1.00  0.00           O  
ATOM    778  CB  VAL A  30      13.630  33.810  30.070  1.00  0.00           C  
ATOM    779  CG1 VAL A  30      12.220  33.930  29.480  1.00  0.00           C  
ATOM    780  CG2 VAL A  30      14.650  34.650  29.300  1.00  0.00           C  
ATOM    781  H   VAL A  30      11.960  33.300  32.380  1.00  0.00           H  
ATOM    782  N   SER A  31      14.400  36.420  32.120  1.00  0.00           N  
ATOM    783  CA  SER A  31      14.320  37.770  32.730  1.00  0.00           C  
ATOM    784  C   SER A  31      14.450  38.870  31.670  1.00  0.00           C  
ATOM    785  O   SER A  31      14.990  38.660  30.590  1.00  0.00           O  
ATOM    786  CB  SER A  31      15.440  38.000  33.760  1.00  0.00           C  
ATOM    787  OG  SER A  31      15.360  37.220  34.950  1.00  0.00           O  
ATOM    788  H   SER A  31      15.280  36.200  31.700  1.00  0.00           H  
ATOM    789  HG  SER A  31      15.440  36.200  34.730  1.00  0.00           H  
ATOM    790  N   ALA A  32      14.000  40.060  32.040  1.00  0.00           N  
ATOM    791  CA  ALA A  32      14.080  41.290  31.210  1.00  0.00           C  
ATOM    792  C   ALA A  32      15.410  41.510  30.460  1.00  0.00           C  
ATOM    793  O   ALA A  32      15.490  41.310  29.250  1.00  0.00           O  
ATOM    794  CB  ALA A  32      13.690  42.500  32.080  1.00  0.00           C  
ATOM    795  H   ALA A  32      13.400  40.110  32.840  1.00  0.00           H  
ATOM    796  N   LYS A  33      16.480  41.710  31.230  1.00  0.00           N  
ATOM    797  CA  LYS A  33      17.860  41.980  30.760  1.00  0.00           C  
ATOM    798  C   LYS A  33      18.560  40.760  30.140  1.00  0.00           C  
ATOM    799  O   LYS A  33      19.270  40.880  29.140  1.00  0.00           O  
ATOM    800  CB  LYS A  33      18.690  42.460  31.950  1.00  0.00           C  
ATOM    801  CG  LYS A  33      19.470  43.750  31.710  1.00  0.00           C  
ATOM    802  CD  LYS A  33      18.580  44.980  31.500  1.00  0.00           C  
ATOM    803  CE  LYS A  33      19.440  46.240  31.590  1.00  0.00           C  
ATOM    804  NZ  LYS A  33      18.730  47.510  31.370  1.00  0.00           N  
ATOM    805  H   LYS A  33      16.380  41.800  32.230  1.00  0.00           H  
ATOM    806  HZ1 LYS A  33      17.920  47.610  31.940  1.00  0.00           H  
ATOM    807  HZ2 LYS A  33      19.360  48.250  31.620  1.00  0.00           H  
ATOM    808  HZ3 LYS A  33      18.520  47.620  30.390  1.00  0.00           H  
ATOM    809  N   THR A  34      18.210  39.570  30.630  1.00  0.00           N  
ATOM    810  CA  THR A  34      18.870  38.320  30.220  1.00  0.00           C  
ATOM    811  C   THR A  34      18.410  37.920  28.810  1.00  0.00           C  
ATOM    812  O   THR A  34      19.210  37.720  27.900  1.00  0.00           O  
ATOM    813  CB  THR A  34      18.570  37.140  31.160  1.00  0.00           C  
ATOM    814  OG1 THR A  34      17.170  36.850  31.160  1.00  0.00           O  
ATOM    815  CG2 THR A  34      19.080  37.370  32.580  1.00  0.00           C  
ATOM    816  H   THR A  34      17.330  39.460  31.110  1.00  0.00           H  
ATOM    817  HG1 THR A  34      17.120  35.790  31.230  1.00  0.00           H  
ATOM    818  N   ARG A  35      17.100  38.070  28.630  1.00  0.00           N  
ATOM    819  CA  ARG A  35      16.400  37.910  27.350  1.00  0.00           C  
ATOM    820  C   ARG A  35      16.980  38.830  26.270  1.00  0.00           C  
ATOM    821  O   ARG A  35      17.550  38.340  25.300  1.00  0.00           O  
ATOM    822  CB  ARG A  35      14.950  38.210  27.680  1.00  0.00           C  
ATOM    823  CG  ARG A  35      13.960  38.130  26.530  1.00  0.00           C  
ATOM    824  CD  ARG A  35      12.560  37.830  27.080  1.00  0.00           C  
ATOM    825  NE  ARG A  35      12.190  38.800  28.130  1.00  0.00           N  
ATOM    826  CZ  ARG A  35      11.590  38.530  29.300  1.00  0.00           C  
ATOM    827  NH1 ARG A  35      11.030  37.350  29.570  1.00  0.00           N  
ATOM    828  NH2 ARG A  35      11.380  39.520  30.170  1.00  0.00           N  
ATOM    829  H   ARG A  35      16.490  38.160  29.420  1.00  0.00           H  
ATOM    830  HE  ARG A  35      12.480  39.740  27.930  1.00  0.00           H  
ATOM    831 HH11 ARG A  35      11.090  36.590  28.920  1.00  0.00           H  
ATOM    832 HH12 ARG A  35      10.530  37.220  30.420  1.00  0.00           H  
ATOM    833 HH21 ARG A  35      11.320  40.470  29.870  1.00  0.00           H  
ATOM    834 HH22 ARG A  35      11.040  39.300  31.090  1.00  0.00           H  
ATOM    835  N   GLU A  36      17.120  40.110  26.620  1.00  0.00           N  
ATOM    836  CA  GLU A  36      17.690  41.110  25.690  1.00  0.00           C  
ATOM    837  C   GLU A  36      19.150  40.850  25.310  1.00  0.00           C  
ATOM    838  O   GLU A  36      19.540  41.110  24.170  1.00  0.00           O  
ATOM    839  CB  GLU A  36      17.520  42.530  26.210  1.00  0.00           C  
ATOM    840  CG  GLU A  36      16.100  43.040  25.970  1.00  0.00           C  
ATOM    841  CD  GLU A  36      16.130  44.500  25.530  1.00  0.00           C  
ATOM    842  OE1 GLU A  36      16.550  44.770  24.380  1.00  0.00           O  
ATOM    843  OE2 GLU A  36      15.680  45.350  26.330  1.00  0.00           O  
ATOM    844  H   GLU A  36      16.930  40.430  27.540  1.00  0.00           H  
ATOM    845  N   LYS A  37      19.890  40.190  26.200  1.00  0.00           N  
ATOM    846  CA  LYS A  37      21.220  39.670  25.850  1.00  0.00           C  
ATOM    847  C   LYS A  37      21.190  38.570  24.790  1.00  0.00           C  
ATOM    848  O   LYS A  37      21.850  38.680  23.760  1.00  0.00           O  
ATOM    849  CB  LYS A  37      21.960  39.160  27.090  1.00  0.00           C  
ATOM    850  CG  LYS A  37      22.240  40.290  28.070  1.00  0.00           C  
ATOM    851  CD  LYS A  37      22.850  41.500  27.380  1.00  0.00           C  
ATOM    852  CE  LYS A  37      23.040  42.610  28.390  1.00  0.00           C  
ATOM    853  NZ  LYS A  37      23.390  43.860  27.700  1.00  0.00           N  
ATOM    854  H   LYS A  37      19.650  40.110  27.170  1.00  0.00           H  
ATOM    855  HZ1 LYS A  37      23.890  43.720  26.850  1.00  0.00           H  
ATOM    856  HZ2 LYS A  37      22.560  44.370  27.500  1.00  0.00           H  
ATOM    857  HZ3 LYS A  37      23.950  44.420  28.320  1.00  0.00           H  
ATOM    858  N   VAL A  38      20.390  37.550  25.080  1.00  0.00           N  
ATOM    859  CA  VAL A  38      20.200  36.410  24.160  1.00  0.00           C  
ATOM    860  C   VAL A  38      19.790  36.880  22.760  1.00  0.00           C  
ATOM    861  O   VAL A  38      20.340  36.390  21.780  1.00  0.00           O  
ATOM    862  CB  VAL A  38      19.190  35.370  24.690  1.00  0.00           C  
ATOM    863  CG1 VAL A  38      19.240  34.120  23.800  1.00  0.00           C  
ATOM    864  CG2 VAL A  38      19.490  34.940  26.130  1.00  0.00           C  
ATOM    865  H   VAL A  38      19.960  37.490  25.980  1.00  0.00           H  
ATOM    866  N   GLU A  39      18.990  37.940  22.680  1.00  0.00           N  
ATOM    867  CA  GLU A  39      18.500  38.450  21.380  1.00  0.00           C  
ATOM    868  C   GLU A  39      19.640  39.090  20.560  1.00  0.00           C  
ATOM    869  O   GLU A  39      19.930  38.630  19.450  1.00  0.00           O  
ATOM    870  CB  GLU A  39      17.340  39.410  21.660  1.00  0.00           C  
ATOM    871  CG  GLU A  39      16.150  38.680  22.300  1.00  0.00           C  
ATOM    872  CD  GLU A  39      14.950  39.590  22.540  1.00  0.00           C  
ATOM    873  OE1 GLU A  39      14.710  40.490  21.710  1.00  0.00           O  
ATOM    874  OE2 GLU A  39      14.130  39.250  23.420  1.00  0.00           O  
ATOM    875  H   GLU A  39      18.670  38.460  23.470  1.00  0.00           H  
ATOM    876  N   ALA A  40      20.380  39.980  21.210  1.00  0.00           N  
ATOM    877  CA  ALA A  40      21.600  40.590  20.640  1.00  0.00           C  
ATOM    878  C   ALA A  40      22.690  39.560  20.340  1.00  0.00           C  
ATOM    879  O   ALA A  40      23.380  39.690  19.330  1.00  0.00           O  
ATOM    880  CB  ALA A  40      22.130  41.690  21.550  1.00  0.00           C  
ATOM    881  H   ALA A  40      20.080  40.400  22.070  1.00  0.00           H  
ATOM    882  N   ALA A  41      22.710  38.440  21.070  1.00  0.00           N  
ATOM    883  CA  ALA A  41      23.660  37.360  20.780  1.00  0.00           C  
ATOM    884  C   ALA A  41      23.220  36.580  19.520  1.00  0.00           C  
ATOM    885  O   ALA A  41      23.950  36.600  18.530  1.00  0.00           O  
ATOM    886  CB  ALA A  41      23.860  36.490  22.020  1.00  0.00           C  
ATOM    887  H   ALA A  41      22.000  38.220  21.750  1.00  0.00           H  
ATOM    888  N   MET A  42      21.940  36.210  19.440  1.00  0.00           N  
ATOM    889  CA  MET A  42      21.360  35.520  18.260  1.00  0.00           C  
ATOM    890  C   MET A  42      21.390  36.250  16.890  1.00  0.00           C  
ATOM    891  O   MET A  42      21.280  35.600  15.850  1.00  0.00           O  
ATOM    892  CB  MET A  42      19.920  35.190  18.580  1.00  0.00           C  
ATOM    893  CG  MET A  42      19.810  34.080  19.620  1.00  0.00           C  
ATOM    894  SD  MET A  42      20.540  32.490  19.120  1.00  0.00           S  
ATOM    895  CE  MET A  42      20.020  31.570  20.550  1.00  0.00           C  
ATOM    896  H   MET A  42      21.330  36.200  20.240  1.00  0.00           H  
ATOM    897  N   ALA A  43      21.200  37.570  16.950  1.00  0.00           N  
ATOM    898  CA  ALA A  43      21.070  38.420  15.750  1.00  0.00           C  
ATOM    899  C   ALA A  43      22.370  39.010  15.180  1.00  0.00           C  
ATOM    900  O   ALA A  43      22.540  39.080  13.960  1.00  0.00           O  
ATOM    901  CB  ALA A  43      19.980  39.480  15.980  1.00  0.00           C  
ATOM    902  H   ALA A  43      21.010  38.000  17.830  1.00  0.00           H  
ATOM    903  N   GLU A  44      23.330  39.320  16.060  1.00  0.00           N  
ATOM    904  CA  GLU A  44      24.710  39.670  15.670  1.00  0.00           C  
ATOM    905  C   GLU A  44      25.540  38.470  15.170  1.00  0.00           C  
ATOM    906  O   GLU A  44      26.450  38.670  14.370  1.00  0.00           O  
ATOM    907  CB  GLU A  44      25.490  40.310  16.810  1.00  0.00           C  
ATOM    908  CG  GLU A  44      25.610  41.820  16.610  1.00  0.00           C  
ATOM    909  CD  GLU A  44      24.330  42.590  16.950  1.00  0.00           C  
ATOM    910  OE1 GLU A  44      23.660  42.240  17.940  1.00  0.00           O  
ATOM    911  OE2 GLU A  44      24.100  43.610  16.260  1.00  0.00           O  
ATOM    912  H   GLU A  44      23.150  39.360  17.050  1.00  0.00           H  
ATOM    913  N   LEU A  45      25.370  37.330  15.840  1.00  0.00           N  
ATOM    914  CA  LEU A  45      25.970  36.050  15.430  1.00  0.00           C  
ATOM    915  C   LEU A  45      24.980  35.210  14.610  1.00  0.00           C  
ATOM    916  O   LEU A  45      23.790  35.140  14.910  1.00  0.00           O  
ATOM    917  CB  LEU A  45      26.360  35.240  16.660  1.00  0.00           C  
ATOM    918  CG  LEU A  45      27.380  35.950  17.550  1.00  0.00           C  
ATOM    919  CD1 LEU A  45      27.590  35.130  18.820  1.00  0.00           C  
ATOM    920  CD2 LEU A  45      28.730  36.130  16.850  1.00  0.00           C  
ATOM    921  H   LEU A  45      24.920  37.290  16.730  1.00  0.00           H  
ATOM    922  N   ASN A  46      25.540  34.470  13.670  1.00  0.00           N  
ATOM    923  CA  ASN A  46      24.800  33.540  12.790  1.00  0.00           C  
ATOM    924  C   ASN A  46      24.670  32.150  13.410  1.00  0.00           C  
ATOM    925  O   ASN A  46      25.180  31.130  12.930  1.00  0.00           O  
ATOM    926  CB  ASN A  46      25.500  33.500  11.430  1.00  0.00           C  
ATOM    927  CG  ASN A  46      27.000  33.240  11.520  1.00  0.00           C  
ATOM    928  OD1 ASN A  46      27.530  32.600  12.410  1.00  0.00           O  
ATOM    929  ND2 ASN A  46      27.700  33.820  10.570  1.00  0.00           N  
ATOM    930  H   ASN A  46      26.530  34.500  13.500  1.00  0.00           H  
ATOM    931 HD21 ASN A  46      27.240  34.460   9.950  1.00  0.00           H  
ATOM    932 HD22 ASN A  46      28.690  33.670  10.460  1.00  0.00           H  
ATOM    933  N   TYR A  47      23.860  32.130  14.450  1.00  0.00           N  
ATOM    934  CA  TYR A  47      23.560  30.880  15.150  1.00  0.00           C  
ATOM    935  C   TYR A  47      22.850  29.900  14.200  1.00  0.00           C  
ATOM    936  O   TYR A  47      22.010  30.270  13.380  1.00  0.00           O  
ATOM    937  CB  TYR A  47      22.770  31.140  16.440  1.00  0.00           C  
ATOM    938  CG  TYR A  47      22.320  29.860  17.160  1.00  0.00           C  
ATOM    939  CD1 TYR A  47      23.240  28.890  17.630  1.00  0.00           C  
ATOM    940  CD2 TYR A  47      20.930  29.670  17.270  1.00  0.00           C  
ATOM    941  CE1 TYR A  47      22.740  27.710  18.220  1.00  0.00           C  
ATOM    942  CE2 TYR A  47      20.440  28.510  17.880  1.00  0.00           C  
ATOM    943  CZ  TYR A  47      21.350  27.530  18.330  1.00  0.00           C  
ATOM    944  OH  TYR A  47      20.810  26.390  18.850  1.00  0.00           O  
ATOM    945  H   TYR A  47      23.350  32.960  14.730  1.00  0.00           H  
ATOM    946  HH  TYR A  47      21.500  25.630  18.850  1.00  0.00           H  
ATOM    947  N   ILE A  48      23.280  28.660  14.330  1.00  0.00           N  
ATOM    948  CA  ILE A  48      22.740  27.540  13.540  1.00  0.00           C  
ATOM    949  C   ILE A  48      22.080  26.570  14.530  1.00  0.00           C  
ATOM    950  O   ILE A  48      22.730  26.100  15.470  1.00  0.00           O  
ATOM    951  CB  ILE A  48      23.810  26.870  12.680  1.00  0.00           C  
ATOM    952  CG1 ILE A  48      24.200  27.860  11.580  1.00  0.00           C  
ATOM    953  CG2 ILE A  48      23.310  25.560  12.030  1.00  0.00           C  
ATOM    954  CD1 ILE A  48      25.650  27.670  11.190  1.00  0.00           C  
ATOM    955  H   ILE A  48      23.880  28.400  15.090  1.00  0.00           H  
ATOM    956  N   PRO A  49      20.780  26.350  14.360  1.00  0.00           N  
ATOM    957  CA  PRO A  49      20.070  25.260  15.060  1.00  0.00           C  
ATOM    958  C   PRO A  49      20.730  23.900  14.770  1.00  0.00           C  
ATOM    959  O   PRO A  49      21.140  23.600  13.640  1.00  0.00           O  
ATOM    960  CB  PRO A  49      18.640  25.370  14.520  1.00  0.00           C  
ATOM    961  CG  PRO A  49      18.480  26.860  14.250  1.00  0.00           C  
ATOM    962  CD  PRO A  49      19.840  27.290  13.710  1.00  0.00           C  
ATOM    963  N   ASN A  50      21.090  23.240  15.870  1.00  0.00           N  
ATOM    964  CA  ASN A  50      21.700  21.900  15.920  1.00  0.00           C  
ATOM    965  C   ASN A  50      23.200  21.800  15.630  1.00  0.00           C  
ATOM    966  O   ASN A  50      23.740  20.700  15.550  1.00  0.00           O  
ATOM    967  CB  ASN A  50      20.880  20.860  15.120  1.00  0.00           C  
ATOM    968  CG  ASN A  50      19.510  20.650  15.770  1.00  0.00           C  
ATOM    969  OD1 ASN A  50      18.480  21.160  15.350  1.00  0.00           O  
ATOM    970  ND2 ASN A  50      19.530  20.010  16.920  1.00  0.00           N  
ATOM    971  H   ASN A  50      21.050  23.680  16.770  1.00  0.00           H  
ATOM    972 HD21 ASN A  50      20.400  19.630  17.250  1.00  0.00           H  
ATOM    973 HD22 ASN A  50      18.670  19.830  17.420  1.00  0.00           H  
ATOM    974  N   ARG A  51      23.880  22.940  15.470  1.00  0.00           N  
ATOM    975  CA  ARG A  51      25.350  22.980  15.270  1.00  0.00           C  
ATOM    976  C   ARG A  51      26.090  23.930  16.210  1.00  0.00           C  
ATOM    977  O   ARG A  51      27.340  23.870  16.260  1.00  0.00           O  
ATOM    978  CB  ARG A  51      25.720  23.340  13.830  1.00  0.00           C  
ATOM    979  CG  ARG A  51      25.500  22.210  12.820  1.00  0.00           C  
ATOM    980  CD  ARG A  51      26.190  20.900  13.190  1.00  0.00           C  
ATOM    981  NE  ARG A  51      27.650  21.040  13.360  1.00  0.00           N  
ATOM    982  CZ  ARG A  51      28.330  20.540  14.400  1.00  0.00           C  
ATOM    983  NH1 ARG A  51      27.850  19.470  15.040  1.00  0.00           N  
ATOM    984  NH2 ARG A  51      29.620  20.860  14.550  1.00  0.00           N  
ATOM    985  OXT ARG A  51      25.370  24.740  16.830  1.00  0.00           O  
ATOM    986  H   ARG A  51      23.420  23.840  15.490  1.00  0.00           H  
ATOM    987  HE  ARG A  51      28.160  21.330  12.540  1.00  0.00           H  
ATOM    988 HH11 ARG A  51      26.940  19.120  14.790  1.00  0.00           H  
ATOM    989 HH12 ARG A  51      28.350  19.040  15.790  1.00  0.00           H  
ATOM    990 HH21 ARG A  51      30.100  21.310  13.800  1.00  0.00           H  
ATOM    991 HH22 ARG A  51      30.130  20.590  15.370  1.00  0.00           H  
TER     992      ARG A  51                                                      
HETATM  993 NA    NA C  12      17.210  24.570  18.780  1.00  0.00          NA  
HETATM  994  O   HOH B 327      18.690  15.250  17.940  1.00  0.00           O  
HETATM  995  H1  HOH B 327      18.580  16.060  18.520  1.00  0.00           H  
HETATM  996  H2  HOH B 327      19.280  14.590  18.410  1.00  0.00           H  
HETATM  997  O   HOH B1026       8.250  29.630  39.540  1.00  0.00           O  
HETATM  998  H1  HOH B1026       8.180  29.690  40.540  1.00  0.00           H  
HETATM  999  H2  HOH B1026       8.360  30.550  39.160  1.00  0.00           H  
HETATM 1000  O   HOH B1069      14.240  26.330  36.850  1.00  0.00           O  
HETATM 1001  H1  HOH B1069      14.300  26.520  35.870  1.00  0.00           H  
HETATM 1002  H2  HOH B1069      13.410  25.790  37.030  1.00  0.00           H  
HETATM 1003  O   HOH B1143      21.250  34.060  33.920  1.00  0.00           O  
HETATM 1004  H1  HOH B1143      20.540  33.520  33.470  1.00  0.00           H  
HETATM 1005  H2  HOH B1143      22.080  33.500  34.030  1.00  0.00           H  
HETATM 1006  O   HOH B1581       9.390  31.910  36.930  1.00  0.00           O  
HETATM 1007  H1  HOH B1581      10.040  32.650  37.100  1.00  0.00           H  
HETATM 1008  H2  HOH B1581       8.500  32.290  36.700  1.00  0.00           H  
HETATM 1009  O   HOH B1795      28.940  14.640  15.900  1.00  0.00           O  
HETATM 1010  H1  HOH B1795      28.260  15.360  16.030  1.00  0.00           H  
HETATM 1011  H2  HOH B1795      29.790  15.050  15.570  1.00  0.00           H  
HETATM 1012  O   HOH B1836      22.920  16.490  16.640  1.00  0.00           O  
HETATM 1013  H1  HOH B1836      22.620  17.040  17.410  1.00  0.00           H  
HETATM 1014  H2  HOH B1836      22.130  16.240  16.080  1.00  0.00           H  
HETATM 1015  O   HOH B2478      23.700  32.560  33.770  1.00  0.00           O  
HETATM 1016  H1  HOH B2478      24.510  33.110  33.940  1.00  0.00           H  
HETATM 1017  H2  HOH B2478      23.900  31.600  33.970  1.00  0.00           H  
HETATM 1018  O   HOH B2496      27.140  28.660  32.150  1.00  0.00           O  
HETATM 1019  H1  HOH B2496      27.500  27.810  32.550  1.00  0.00           H  
HETATM 1020  H2  HOH B2496      26.480  29.060  32.790  1.00  0.00           H  
HETATM 1021  O   HOH B2639      19.000  35.590  35.630  1.00  0.00           O  
HETATM 1022  H1  HOH B2639      18.330  36.320  35.490  1.00  0.00           H  
HETATM 1023  H2  HOH B2639      18.630  34.730  35.270  1.00  0.00           H  
HETATM 1024  O   HOH B3063      25.940  15.470  14.880  1.00  0.00           O  
HETATM 1025  H1  HOH B3063      25.360  14.740  15.240  1.00  0.00           H  
HETATM 1026  H2  HOH B3063      26.510  15.110  14.140  1.00  0.00           H  
HETATM 1027  O   HOH B3289      11.840  37.250  35.480  1.00  0.00           O  
HETATM 1028  H1  HOH B3289      12.620  37.810  35.760  1.00  0.00           H  
HETATM 1029  H2  HOH B3289      11.650  36.560  36.170  1.00  0.00           H  
HETATM 1030  O   HOH C  47      13.440  19.680  19.350  1.00  0.00           O  
HETATM 1031  H1  HOH C  47      12.890  20.220  19.980  1.00  0.00           H  
HETATM 1032  H2  HOH C  47      12.850  19.130  18.760  1.00  0.00           H  
HETATM 1033  O   HOH C 319      15.370  24.400  17.770  1.00  0.00           O  
HETATM 1034  H1  HOH C 319      14.840  24.950  17.130  1.00  0.00           H  
HETATM 1035  H2  HOH C 319      15.080  23.440  17.710  1.00  0.00           H  
HETATM 1036  O   HOH C 328      19.240  17.540  19.900  1.00  0.00           O  
HETATM 1037  H1  HOH C 328      18.630  17.360  20.670  1.00  0.00           H  
HETATM 1038  H2  HOH C 328      19.490  18.510  19.900  1.00  0.00           H  
HETATM 1039  O   HOH C 337      12.000  21.370  20.990  1.00  0.00           O  
HETATM 1040  H1  HOH C 337      12.460  22.250  20.910  1.00  0.00           H  
HETATM 1041  H2  HOH C 337      12.070  21.060  21.940  1.00  0.00           H  
HETATM 1042  O   HOH C 827       9.590  23.740  23.900  1.00  0.00           O  
HETATM 1043  H1  HOH C 827       9.250  23.930  22.980  1.00  0.00           H  
HETATM 1044  H2  HOH C 827       9.940  22.810  23.940  1.00  0.00           H  
HETATM 1045  O   HOH C 902      15.070  21.700  18.300  1.00  0.00           O  
HETATM 1046  H1  HOH C 902      15.310  22.210  19.130  1.00  0.00           H  
HETATM 1047  H2  HOH C 902      14.370  21.020  18.540  1.00  0.00           H  
HETATM 1048  O   HOH C1002       9.020  21.410  27.030  1.00  0.00           O  
HETATM 1049  H1  HOH C1002       8.350  22.140  27.120  1.00  0.00           H  
HETATM 1050  H2  HOH C1002       9.720  21.680  26.370  1.00  0.00           H  
HETATM 1051  O   HOH C1046      13.620  24.020  34.090  1.00  0.00           O  
HETATM 1052  H1  HOH C1046      12.830  23.570  33.650  1.00  0.00           H  
HETATM 1053  H2  HOH C1046      13.450  25.000  34.150  1.00  0.00           H  
HETATM 1054  O   HOH C1691      31.870  22.520  16.050  1.00  0.00           O  
HETATM 1055  H1  HOH C1691      31.010  22.540  16.560  1.00  0.00           H  
HETATM 1056  H2  HOH C1691      32.140  21.570  15.900  1.00  0.00           H  
HETATM 1057  O   HOH C1845      29.680  17.780  16.870  1.00  0.00           O  
HETATM 1058  H1  HOH C1845      28.840  17.350  17.180  1.00  0.00           H  
HETATM 1059  H2  HOH C1845      29.960  18.480  17.530  1.00  0.00           H  
HETATM 1060  O   HOH C1967      26.940  17.500  17.570  1.00  0.00           O  
HETATM 1061  H1  HOH C1967      26.680  18.100  18.330  1.00  0.00           H  
HETATM 1062  H2  HOH C1967      26.300  17.630  16.810  1.00  0.00           H  
HETATM 1063  O   HOH C2471      22.970  22.200  23.160  1.00  0.00           O  
HETATM 1064  H1  HOH C2471      22.220  22.860  23.200  1.00  0.00           H  
HETATM 1065  H2  HOH C2471      23.150  21.960  22.200  1.00  0.00           H  
HETATM 1066  O   HOH C2538      29.950  21.300  24.000  1.00  0.00           O  
HETATM 1067  H1  HOH C2538      29.070  21.560  23.590  1.00  0.00           H  
HETATM 1068  H2  HOH C2538      30.450  22.120  24.260  1.00  0.00           H  
HETATM 1069  O   HOH C2570      27.190  21.260  22.450  1.00  0.00           O  
HETATM 1070  H1  HOH C2570      26.820  22.190  22.430  1.00  0.00           H  
HETATM 1071  H2  HOH C2570      27.360  20.950  21.510  1.00  0.00           H  
HETATM 1072  O   HOH A  52      21.970  18.650  18.350  1.00  0.00           O  
HETATM 1073  H1  HOH A  52      22.400  19.540  18.450  1.00  0.00           H  
HETATM 1074  H2  HOH A  52      22.170  18.090  19.160  1.00  0.00           H  
HETATM 1075  O   HOH A  53       9.910  20.180  29.550  1.00  0.00           O  
HETATM 1076  H1  HOH A  53       9.650  20.460  28.620  1.00  0.00           H  
HETATM 1077  H2  HOH A  53       9.310  19.440  29.850  1.00  0.00           H  
HETATM 1078  O   HOH A  54      10.690  19.540  32.470  1.00  0.00           O  
HETATM 1079  H1  HOH A  54      10.760  18.700  31.940  1.00  0.00           H  
HETATM 1080  H2  HOH A  54      10.340  19.330  33.390  1.00  0.00           H  
HETATM 1081  O   HOH A  55      11.960  21.630  33.860  1.00  0.00           O  
HETATM 1082  H1  HOH A  55      11.510  20.830  33.460  1.00  0.00           H  
HETATM 1083  H2  HOH A  55      11.500  21.880  34.710  1.00  0.00           H  
HETATM 1084  O   HOH A  56      17.850  27.380  32.270  1.00  0.00           O  
HETATM 1085  H1  HOH A  56      18.730  27.770  32.560  1.00  0.00           H  
HETATM 1086  H2  HOH A  56      17.230  28.110  32.000  1.00  0.00           H  
HETATM 1087  O   HOH A  57      15.790  23.850  27.410  1.00  0.00           O  
HETATM 1088  H1  HOH A  57      16.270  24.270  26.650  1.00  0.00           H  
HETATM 1089  H2  HOH A  57      14.880  23.560  27.110  1.00  0.00           H  
HETATM 1090  O   HOH A  58      18.180  22.780  17.970  1.00  0.00           O  
HETATM 1091  H1  HOH A  58      18.410  22.090  17.280  1.00  0.00           H  
HETATM 1092  H2  HOH A  58      18.400  22.430  18.880  1.00  0.00           H  
HETATM 1093  O   HOH A  59      17.160  34.420  31.500  1.00  0.00           O  
HETATM 1094  H1  HOH A  59      17.730  34.030  32.220  1.00  0.00           H  
HETATM 1095  H2  HOH A  59      16.880  33.690  30.880  1.00  0.00           H  
HETATM 1096  O   HOH A  60      18.840  24.980  20.090  1.00  0.00           O  
HETATM 1097  H1  HOH A  60      18.820  24.950  21.090  1.00  0.00           H  
HETATM 1098  H2  HOH A  60      19.650  25.470  19.790  1.00  0.00           H  
HETATM 1099  O   HOH A  61      16.080  29.580  31.530  1.00  0.00           O  
HETATM 1100  H1  HOH A  61      15.120  29.300  31.470  1.00  0.00           H  
HETATM 1101  H2  HOH A  61      16.220  30.090  32.380  1.00  0.00           H  
HETATM 1102  O   HOH A  62      15.660  34.740  34.520  1.00  0.00           O  
HETATM 1103  H1  HOH A  62      15.430  34.240  33.680  1.00  0.00           H  
HETATM 1104  H2  HOH A  62      15.980  34.090  35.210  1.00  0.00           H  
HETATM 1105  O   HOH A  63      11.380  34.520  34.630  1.00  0.00           O  
HETATM 1106  H1  HOH A  63      11.530  35.510  34.590  1.00  0.00           H  
HETATM 1107  H2  HOH A  63      11.640  34.190  35.540  1.00  0.00           H  
HETATM 1108  O   HOH A  64      17.190  19.580  18.260  1.00  0.00           O  
HETATM 1109  H1  HOH A  64      16.840  18.840  18.840  1.00  0.00           H  
HETATM 1110  H2  HOH A  64      16.530  20.340  18.260  1.00  0.00           H  
HETATM 1111  O   HOH A  65      11.670  25.730  37.590  1.00  0.00           O  
HETATM 1112  H1  HOH A  65      11.900  25.290  38.460  1.00  0.00           H  
HETATM 1113  H2  HOH A  65      10.990  25.160  37.110  1.00  0.00           H  
HETATM 1114  O   HOH A  66      32.300  19.840  16.170  1.00  0.00           O  
HETATM 1115  H1  HOH A  66      32.680  19.150  15.550  1.00  0.00           H  
HETATM 1116  H2  HOH A  66      32.870  19.910  16.990  1.00  0.00           H  
HETATM 1117  O   HOH A  67      25.210  18.010  15.370  1.00  0.00           O  
HETATM 1118  H1  HOH A  67      25.390  17.060  15.120  1.00  0.00           H  
HETATM 1119  H2  HOH A  67      24.260  18.090  15.680  1.00  0.00           H  
HETATM 1120  O   HOH A  68      28.250  18.350  25.940  1.00  0.00           O  
HETATM 1121  H1  HOH A  68      28.900  18.440  25.190  1.00  0.00           H  
HETATM 1122  H2  HOH A  68      28.200  17.390  26.240  1.00  0.00           H  
HETATM 1123  O   HOH A  69      25.910  19.390  26.730  1.00  0.00           O  
HETATM 1124  H1  HOH A  69      25.640  20.100  26.070  1.00  0.00           H  
HETATM 1125  H2  HOH A  69      26.720  18.910  26.390  1.00  0.00           H  
HETATM 1126  O   HOH A  70      29.690  24.270  21.950  1.00  0.00           O  
HETATM 1127  H1  HOH A  70      29.730  23.490  21.320  1.00  0.00           H  
HETATM 1128  H2  HOH A  70      29.130  24.990  21.550  1.00  0.00           H  
HETATM 1129  O   HOH A  71      25.850  19.540  29.360  1.00  0.00           O  
HETATM 1130  H1  HOH A  71      26.170  19.600  28.410  1.00  0.00           H  
HETATM 1131  H2  HOH A  71      25.730  18.580  29.610  1.00  0.00           H  
HETATM 1132  O   HOH A  72      14.200  26.840  33.980  1.00  0.00           O  
HETATM 1133  H1  HOH A  72      14.540  27.700  33.610  1.00  0.00           H  
HETATM 1134  H2  HOH A  72      13.230  26.740  33.780  1.00  0.00           H  
HETATM 1135  O   HOH A  73      31.320  25.660  18.650  1.00  0.00           O  
HETATM 1136  H1  HOH A  73      30.700  24.870  18.550  1.00  0.00           H  
HETATM 1137  H2  HOH A  73      30.770  26.480  18.820  1.00  0.00           H  
HETATM 1138  O   HOH A  74      23.160  19.700  30.160  1.00  0.00           O  
HETATM 1139  H1  HOH A  74      23.560  19.520  31.060  1.00  0.00           H  
HETATM 1140  H2  HOH A  74      23.880  19.660  29.470  1.00  0.00           H  
HETATM 1141  O   HOH A  75      24.270  26.570  33.610  1.00  0.00           O  
HETATM 1142  H1  HOH A  75      24.740  26.890  34.430  1.00  0.00           H  
HETATM 1143  H2  HOH A  75      24.810  25.840  33.190  1.00  0.00           H  
HETATM 1144  O   HOH A  76      25.990  24.680  32.760  1.00  0.00           O  
HETATM 1145  H1  HOH A  76      25.810  23.710  32.940  1.00  0.00           H  
HETATM 1146  H2  HOH A  76      26.940  24.800  32.480  1.00  0.00           H  
HETATM 1147  O   HOH A  77      25.430  20.950  24.590  1.00  0.00           O  
HETATM 1148  H1  HOH A  77      26.140  20.910  23.890  1.00  0.00           H  
HETATM 1149  H2  HOH A  77      24.550  21.170  24.170  1.00  0.00           H  
HETATM 1150  O   HOH A  78      13.620  38.770  37.220  1.00  0.00           O  
HETATM 1151  H1  HOH A  78      13.320  38.550  38.150  1.00  0.00           H  
HETATM 1152  H2  HOH A  78      14.610  38.650  37.170  1.00  0.00           H  
CONECT  320  993                                                                
CONECT  993  320 1033 1090 1096                                                 
CONECT 1033  993                                                                
CONECT 1090  993                                                                
CONECT 1096  993                                                                
MASTER      361    0    1    3    0    0    2    6  898    3    5    6          
END