HEADER    HYDROLASE                               18-JAN-23   8BV9              
TITLE     ACYLPHOSPHATASE FROM E. COLI                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ACYLPHOSPHATASE;                                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: ACYLPHOSPHATE PHOSPHOHYDROLASE;                             
COMPND   5 EC: 3.6.1.7;                                                         
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
SOURCE   3 ORGANISM_TAXID: 562;                                                 
SOURCE   4 GENE: YCCX, Z1320, ECS1052;                                          
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-22B                                   
KEYWDS    ALPHA AND BETA PROTEINS, HYDROLASE, AMYLOID, PHOSPHATASE, INTERTWINED 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.A.GAVIRA,S.MARTINEZ-RODRIGUEZ                                       
REVDAT   2   25-OCT-23 8BV9    1       JRNL                                     
REVDAT   1   18-OCT-23 8BV9    0                                                
JRNL        AUTH   S.MARTINEZ-RODRIGUEZ,A.CAMARA-ARTIGAS,J.A.GAVIRA             
JRNL        TITL   FIRST 3-D STRUCTURAL EVIDENCE OF A NATIVE-LIKE INTERTWINED   
JRNL        TITL 2 DIMER IN THE ACYLPHOSPHATASE FAMILY.                         
JRNL        REF    BIOCHEM.BIOPHYS.RES.COMMUN.   V. 682    85 2023              
JRNL        REFN                   ESSN 1090-2104                               
JRNL        PMID   37804591                                                     
JRNL        DOI    10.1016/J.BBRC.2023.09.053                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.55 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.8.0267                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : NICHOLLS,WINN,LONG,VAGIN                             
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.55                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 41.01                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 3241                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.239                           
REMARK   3   R VALUE            (WORKING SET) : 0.233                           
REMARK   3   FREE R VALUE                     : 0.301                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.700                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 389                             
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.55                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.62                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 229                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 99.22                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3510                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 26                           
REMARK   3   BIN FREE R VALUE                    : 0.5300                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 732                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 24                                      
REMARK   3   SOLVENT ATOMS            : 8                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 68.94                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 71.59                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 2.68000                                              
REMARK   3    B22 (A**2) : 0.19000                                              
REMARK   3    B33 (A**2) : -2.86000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.401         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.323         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 33.590        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.940                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.920                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   820 ; 0.010 ; 0.017       
REMARK   3   BOND LENGTHS OTHERS               (A):   789 ; 0.001 ; 0.019       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  1107 ; 1.639 ; 1.864       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  1812 ; 1.077 ; 2.567       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   104 ; 7.284 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    52 ;20.673 ;18.846       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   147 ;17.739 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    12 ;17.658 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   113 ; 0.100 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   923 ; 0.004 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):   209 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):   389 ; 1.202 ; 3.160       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):   388 ; 1.203 ; 3.160       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):   490 ; 2.029 ; 4.734       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):   491 ; 2.027 ; 4.734       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   429 ; 1.473 ; 3.599       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):   423 ; 1.432 ; 3.445       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):   602 ; 2.274 ; 5.073       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):   861 ; 7.151 ;35.689       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):   861 ; 7.152 ;35.652       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     2        A    94                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.8220  17.1270  15.7350              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0241 T22:   0.4115                                     
REMARK   3      T33:   0.4473 T12:  -0.0273                                     
REMARK   3      T13:  -0.0518 T23:   0.0256                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3728 L22:   4.5875                                     
REMARK   3      L33:   5.8717 L12:  -1.3815                                     
REMARK   3      L13:  -1.5344 L23:  -0.3555                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0778 S12:  -0.4620 S13:   0.1094                       
REMARK   3      S21:  -0.0311 S22:   0.1309 S23:  -0.0653                       
REMARK   3      S31:  -0.2400 S32:   0.3980 S33:  -0.0531                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.10                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: U VALUES : WITH TLS ADDED                 
REMARK   3  HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS                   
REMARK   3  U VALUES : RESIDUAL ONLY                                            
REMARK   4                                                                      
REMARK   4 8BV9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE.                               
REMARK 100 THE DEPOSITION ID IS D_1292127184.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 18-NOV-21                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 4.0-9.0                            
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : MASSIF-3                           
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9677                             
REMARK 200  MONOCHROMATOR                  : SI                                 
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS EIGER X 4M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : AUTOPROC                           
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 3631                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.550                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 41.010                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.0                               
REMARK 200  DATA REDUNDANCY                : 6.500                              
REMARK 200  R MERGE                    (I) : 0.09400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.55                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.67                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.98100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.500                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NEDDLE                                                       
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 47.40                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.34                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M AS 30% W/V PEG4K, PH 8.0, VAPOR    
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z                                         
REMARK 290       7555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       8555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       20.20750            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       40.97200            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       20.20750            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       40.97200            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       20.20750            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       40.97200            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       20.20750            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       40.97200            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     HIS A    95                                                      
REMARK 465     HIS A    96                                                      
REMARK 465     HIS A    97                                                      
REMARK 465     HIS A    98                                                      
REMARK 465     HIS A    99                                                      
REMARK 465     HIS A   100                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O3   SO4 A   205     O3   SO4 A   205     3556     2.08            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  8BV9 A    1    92  UNP    P0AB66   ACYP_ECO57       1     92             
SEQADV 8BV9 LEU A   93  UNP  P0AB66              EXPRESSION TAG                 
SEQADV 8BV9 GLU A   94  UNP  P0AB66              EXPRESSION TAG                 
SEQADV 8BV9 HIS A   95  UNP  P0AB66              EXPRESSION TAG                 
SEQADV 8BV9 HIS A   96  UNP  P0AB66              EXPRESSION TAG                 
SEQADV 8BV9 HIS A   97  UNP  P0AB66              EXPRESSION TAG                 
SEQADV 8BV9 HIS A   98  UNP  P0AB66              EXPRESSION TAG                 
SEQADV 8BV9 HIS A   99  UNP  P0AB66              EXPRESSION TAG                 
SEQADV 8BV9 HIS A  100  UNP  P0AB66              EXPRESSION TAG                 
SEQRES   1 A  100  MET SER LYS VAL CYS ILE ILE ALA TRP VAL TYR GLY ARG          
SEQRES   2 A  100  VAL GLN GLY VAL GLY PHE ARG TYR THR THR GLN TYR GLU          
SEQRES   3 A  100  ALA LYS ARG LEU GLY LEU THR GLY TYR ALA LYS ASN LEU          
SEQRES   4 A  100  ASP ASP GLY SER VAL GLU VAL VAL ALA CYS GLY GLU GLU          
SEQRES   5 A  100  GLY GLN VAL GLU LYS LEU MET GLN TRP LEU LYS SER GLY          
SEQRES   6 A  100  GLY PRO ARG SER ALA ARG VAL GLU ARG VAL LEU SER GLU          
SEQRES   7 A  100  PRO HIS HIS PRO SER GLY GLU LEU THR ASP PHE ARG ILE          
SEQRES   8 A  100  ARG LEU GLU HIS HIS HIS HIS HIS HIS                          
HET    GOL  A 201       6                                                       
HET    EDO  A 202       4                                                       
HET    EDO  A 203       4                                                       
HET    SO4  A 204       5                                                       
HET    SO4  A 205       5                                                       
HETNAM     GOL GLYCEROL                                                         
HETNAM     EDO 1,2-ETHANEDIOL                                                   
HETNAM     SO4 SULFATE ION                                                      
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
HETSYN     EDO ETHYLENE GLYCOL                                                  
FORMUL   2  GOL    C3 H8 O3                                                     
FORMUL   3  EDO    2(C2 H6 O2)                                                  
FORMUL   5  SO4    2(O4 S 2-)                                                   
FORMUL   7  HOH   *8(H2 O)                                                      
HELIX    1 AA1 GLY A   18  LEU A   30  1                                  13    
HELIX    2 AA2 GLU A   52  SER A   64  1                                  13    
HELIX    3 AA3 HIS A   81  LEU A   86  5                                   6    
SHEET    1 AA1 4 THR A  33  ASN A  38  0                                        
SHEET    2 AA1 4 VAL A  44  GLU A  51 -1  O  CYS A  49   N  THR A  33           
SHEET    3 AA1 4 LYS A   3  ARG A  13 -1  N  ALA A   8   O  VAL A  46           
SHEET    4 AA1 4 ARG A  71  SER A  77 -1  O  GLU A  73   N  TYR A  11           
SSBOND   1 CYS A    5    CYS A   49                          1555   1555  2.06  
CRYST1   40.415   81.944   63.994  90.00  90.00  90.00 C 2 2 2       8          
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      0.024743  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.012203  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.015626        0.00000                         
ATOM      1  N   SER A   2      -4.168  26.015  30.290  1.00 96.38           N  
ATOM      2  CA  SER A   2      -4.965  24.795  30.619  1.00 95.47           C  
ATOM      3  C   SER A   2      -5.039  23.842  29.408  1.00 89.57           C  
ATOM      4  O   SER A   2      -4.171  23.881  28.545  1.00 86.89           O  
ATOM      5  CB  SER A   2      -6.364  25.214  31.113  1.00 99.79           C  
ATOM      6  OG  SER A   2      -7.153  24.096  31.524  1.00102.46           O  
ATOM      7  N   LYS A   3      -6.074  22.992  29.364  1.00 87.75           N  
ATOM      8  CA  LYS A   3      -6.294  22.041  28.276  1.00 83.24           C  
ATOM      9  C   LYS A   3      -6.780  22.690  26.995  1.00 80.94           C  
ATOM     10  O   LYS A   3      -7.880  23.273  26.963  1.00 80.28           O  
ATOM     11  CB  LYS A   3      -7.324  20.983  28.669  1.00 84.33           C  
ATOM     12  CG  LYS A   3      -6.957  20.201  29.902  1.00 86.39           C  
ATOM     13  CD  LYS A   3      -5.586  19.580  29.727  1.00 85.15           C  
ATOM     14  CE  LYS A   3      -5.131  18.917  30.994  1.00 87.98           C  
ATOM     15  NZ  LYS A   3      -6.241  18.139  31.602  1.00 90.36           N  
ATOM     16  N   VAL A   4      -5.948  22.562  25.946  1.00 77.40           N  
ATOM     17  CA  VAL A   4      -6.293  22.848  24.546  1.00 73.57           C  
ATOM     18  C   VAL A   4      -6.291  21.516  23.744  1.00 69.67           C  
ATOM     19  O   VAL A   4      -5.589  20.573  24.129  1.00 68.89           O  
ATOM     20  CB  VAL A   4      -5.329  23.910  23.923  1.00 73.24           C  
ATOM     21  CG1 VAL A   4      -5.200  25.135  24.821  1.00 75.72           C  
ATOM     22  CG2 VAL A   4      -3.946  23.337  23.615  1.00 72.57           C  
ATOM     23  N   CYS A   5      -7.107  21.432  22.680  1.00 66.53           N  
ATOM     24  CA  CYS A   5      -7.023  20.337  21.706  1.00 64.17           C  
ATOM     25  C   CYS A   5      -6.593  20.897  20.340  1.00 61.14           C  
ATOM     26  O   CYS A   5      -6.915  22.042  20.026  1.00 61.26           O  
ATOM     27  CB  CYS A   5      -8.348  19.574  21.566  1.00 66.39           C  
ATOM     28  SG  CYS A   5      -8.903  18.583  22.991  1.00 72.28           S  
ATOM     29  N   ILE A   6      -5.823  20.099  19.578  1.00 57.38           N  
ATOM     30  CA  ILE A   6      -5.494  20.352  18.163  1.00 55.51           C  
ATOM     31  C   ILE A   6      -5.821  19.119  17.348  1.00 53.79           C  
ATOM     32  O   ILE A   6      -5.931  18.009  17.892  1.00 53.30           O  
ATOM     33  CB  ILE A   6      -4.013  20.681  17.900  1.00 56.17           C  
ATOM     34  CG1 ILE A   6      -3.087  19.497  18.222  1.00 55.38           C  
ATOM     35  CG2 ILE A   6      -3.599  21.885  18.715  1.00 59.25           C  
ATOM     36  CD1 ILE A   6      -2.742  18.644  17.030  1.00 54.52           C  
ATOM     37  N   ILE A   7      -6.001  19.332  16.039  1.00 53.34           N  
ATOM     38  CA  ILE A   7      -6.086  18.253  15.049  1.00 52.86           C  
ATOM     39  C   ILE A   7      -5.164  18.550  13.858  1.00 50.94           C  
ATOM     40  O   ILE A   7      -5.204  19.630  13.295  1.00 50.22           O  
ATOM     41  CB  ILE A   7      -7.528  17.987  14.620  1.00 53.92           C  
ATOM     42  CG1 ILE A   7      -7.624  16.673  13.909  1.00 55.04           C  
ATOM     43  CG2 ILE A   7      -8.074  19.069  13.705  1.00 54.86           C  
ATOM     44  CD1 ILE A   7      -9.095  16.270  13.784  1.00 59.00           C  
ATOM     45  N   ALA A   8      -4.299  17.587  13.533  1.00 50.54           N  
ATOM     46  CA  ALA A   8      -3.214  17.761  12.565  1.00 51.01           C  
ATOM     47  C   ALA A   8      -3.364  16.722  11.484  1.00 51.12           C  
ATOM     48  O   ALA A   8      -3.634  15.573  11.791  1.00 52.33           O  
ATOM     49  CB  ALA A   8      -1.852  17.599  13.241  1.00 50.85           C  
ATOM     50  N   TRP A   9      -3.203  17.138  10.222  1.00 52.22           N  
ATOM     51  CA  TRP A   9      -3.029  16.225   9.100  1.00 52.66           C  
ATOM     52  C   TRP A   9      -1.617  16.358   8.591  1.00 51.06           C  
ATOM     53  O   TRP A   9      -1.174  17.471   8.318  1.00 49.32           O  
ATOM     54  CB  TRP A   9      -3.999  16.519   7.967  1.00 55.23           C  
ATOM     55  CG  TRP A   9      -5.401  16.256   8.364  1.00 57.75           C  
ATOM     56  CD1 TRP A   9      -6.111  15.086   8.204  1.00 59.55           C  
ATOM     57  CD2 TRP A   9      -6.285  17.180   9.001  1.00 58.40           C  
ATOM     58  NE1 TRP A   9      -7.382  15.239   8.702  1.00 60.33           N  
ATOM     59  CE2 TRP A   9      -7.518  16.517   9.189  1.00 60.19           C  
ATOM     60  CE3 TRP A   9      -6.154  18.514   9.415  1.00 58.65           C  
ATOM     61  CZ2 TRP A   9      -8.618  17.145   9.779  1.00 61.23           C  
ATOM     62  CZ3 TRP A   9      -7.204  19.130   9.984  1.00 59.53           C  
ATOM     63  CH2 TRP A   9      -8.439  18.450  10.180  1.00 61.75           C  
ATOM     64  N   VAL A  10      -0.969  15.192   8.447  1.00 50.50           N  
ATOM     65  CA  VAL A  10       0.446  14.997   8.126  1.00 51.12           C  
ATOM     66  C   VAL A  10       0.599  14.263   6.768  1.00 52.94           C  
ATOM     67  O   VAL A  10       0.164  13.110   6.604  1.00 54.13           O  
ATOM     68  CB  VAL A  10       1.113  14.184   9.256  1.00 49.62           C  
ATOM     69  CG1 VAL A  10       2.567  13.997   8.974  1.00 51.80           C  
ATOM     70  CG2 VAL A  10       0.957  14.896  10.581  1.00 48.29           C  
ATOM     71  N   TYR A  11       1.212  14.939   5.792  1.00 53.96           N  
ATOM     72  CA  TYR A  11       1.429  14.423   4.415  1.00 56.25           C  
ATOM     73  C   TYR A  11       2.926  14.173   4.178  1.00 58.19           C  
ATOM     74  O   TYR A  11       3.789  14.879   4.774  1.00 56.49           O  
ATOM     75  CB  TYR A  11       0.867  15.408   3.391  1.00 58.14           C  
ATOM     76  CG  TYR A  11      -0.533  15.862   3.700  1.00 58.67           C  
ATOM     77  CD1 TYR A  11      -0.775  16.802   4.687  1.00 58.29           C  
ATOM     78  CD2 TYR A  11      -1.621  15.314   3.044  1.00 60.97           C  
ATOM     79  CE1 TYR A  11      -2.064  17.176   5.025  1.00 58.51           C  
ATOM     80  CE2 TYR A  11      -2.917  15.697   3.347  1.00 60.55           C  
ATOM     81  CZ  TYR A  11      -3.134  16.631   4.341  1.00 59.51           C  
ATOM     82  OH  TYR A  11      -4.398  17.018   4.652  1.00 60.96           O  
ATOM     83  N   GLY A  12       3.212  13.194   3.313  1.00 60.36           N  
ATOM     84  CA  GLY A  12       4.548  12.833   2.882  1.00 62.10           C  
ATOM     85  C   GLY A  12       4.645  11.324   2.850  1.00 63.85           C  
ATOM     86  O   GLY A  12       3.671  10.652   2.502  1.00 62.10           O  
ATOM     87  N   ARG A  13       5.822  10.797   3.217  1.00 66.60           N  
ATOM     88  CA  ARG A  13       6.057   9.347   3.441  1.00 69.21           C  
ATOM     89  C   ARG A  13       5.773   9.061   4.917  1.00 68.15           C  
ATOM     90  O   ARG A  13       6.692   9.234   5.734  1.00 70.19           O  
ATOM     91  CB  ARG A  13       7.482   8.978   3.031  1.00 74.71           C  
ATOM     92  CG  ARG A  13       7.696   7.480   2.862  1.00 79.37           C  
ATOM     93  CD  ARG A  13       9.052   7.128   2.276  1.00 84.66           C  
ATOM     94  NE  ARG A  13      10.146   7.448   3.188  1.00 87.83           N  
ATOM     95  CZ  ARG A  13      11.193   8.239   2.915  1.00 91.87           C  
ATOM     96  NH1 ARG A  13      11.330   8.801   1.723  1.00 94.76           N  
ATOM     97  NH2 ARG A  13      12.116   8.454   3.841  1.00 92.17           N  
ATOM     98  N   VAL A  14       4.519   8.723   5.248  1.00 67.71           N  
ATOM     99  CA  VAL A  14       4.018   8.697   6.639  1.00 64.00           C  
ATOM    100  C   VAL A  14       3.223   7.446   7.045  1.00 64.66           C  
ATOM    101  O   VAL A  14       3.049   7.177   8.242  1.00 65.07           O  
ATOM    102  CB  VAL A  14       3.199   9.968   6.982  1.00 61.06           C  
ATOM    103  CG1 VAL A  14       4.090  11.174   7.028  1.00 59.80           C  
ATOM    104  CG2 VAL A  14       2.049  10.210   6.000  1.00 62.72           C  
ATOM    105  N   GLN A  15       2.771   6.664   6.060  1.00 66.73           N  
ATOM    106  CA  GLN A  15       2.144   5.366   6.326  1.00 69.12           C  
ATOM    107  C   GLN A  15       3.162   4.268   6.077  1.00 71.93           C  
ATOM    108  O   GLN A  15       4.005   4.394   5.188  1.00 72.03           O  
ATOM    109  CB  GLN A  15       0.901   5.175   5.462  1.00 70.13           C  
ATOM    110  CG  GLN A  15      -0.130   6.261   5.710  1.00 68.57           C  
ATOM    111  CD  GLN A  15      -1.407   6.110   4.900  1.00 70.70           C  
ATOM    112  OE1 GLN A  15      -1.708   5.049   4.369  1.00 74.39           O  
ATOM    113  NE2 GLN A  15      -2.185   7.179   4.834  1.00 70.30           N  
ATOM    114  N   GLY A  16       3.104   3.207   6.893  1.00 73.99           N  
ATOM    115  CA  GLY A  16       4.007   2.058   6.781  1.00 75.98           C  
ATOM    116  C   GLY A  16       5.486   2.313   7.069  1.00 76.25           C  
ATOM    117  O   GLY A  16       6.379   1.588   6.579  1.00 80.57           O  
ATOM    118  N   VAL A  17       5.744   3.355   7.865  1.00 72.50           N  
ATOM    119  CA  VAL A  17       7.076   3.723   8.327  1.00 71.42           C  
ATOM    120  C   VAL A  17       7.051   3.956   9.852  1.00 69.90           C  
ATOM    121  O   VAL A  17       7.993   4.526  10.425  1.00 69.91           O  
ATOM    122  CB  VAL A  17       7.598   4.946   7.551  1.00 70.19           C  
ATOM    123  CG1 VAL A  17       7.772   4.578   6.090  1.00 71.88           C  
ATOM    124  CG2 VAL A  17       6.647   6.137   7.681  1.00 67.26           C  
ATOM    125  N   GLY A  18       5.968   3.487  10.494  1.00 67.99           N  
ATOM    126  CA  GLY A  18       5.813   3.509  11.923  1.00 66.78           C  
ATOM    127  C   GLY A  18       5.426   4.852  12.479  1.00 64.36           C  
ATOM    128  O   GLY A  18       5.608   5.086  13.648  1.00 64.34           O  
ATOM    129  N   PHE A  19       4.882   5.741  11.652  1.00 62.86           N  
ATOM    130  CA  PHE A  19       4.420   7.035  12.146  1.00 62.39           C  
ATOM    131  C   PHE A  19       3.375   7.027  13.334  1.00 63.21           C  
ATOM    132  O   PHE A  19       3.512   7.801  14.295  1.00 63.79           O  
ATOM    133  CB  PHE A  19       3.927   7.866  10.967  1.00 61.62           C  
ATOM    134  CG  PHE A  19       4.024   9.358  11.182  1.00 60.30           C  
ATOM    135  CD1 PHE A  19       3.100  10.030  12.012  1.00 60.02           C  
ATOM    136  CD2 PHE A  19       4.998  10.103  10.525  1.00 60.19           C  
ATOM    137  CE1 PHE A  19       3.192  11.400  12.203  1.00 58.78           C  
ATOM    138  CE2 PHE A  19       5.091  11.466  10.713  1.00 59.48           C  
ATOM    139  CZ  PHE A  19       4.201  12.114  11.559  1.00 59.05           C  
ATOM    140  N   ARG A  20       2.359   6.153  13.279  1.00 64.26           N  
ATOM    141  CA  ARG A  20       1.247   6.086  14.279  1.00 64.31           C  
ATOM    142  C   ARG A  20       1.755   5.589  15.644  1.00 66.61           C  
ATOM    143  O   ARG A  20       1.342   6.155  16.688  1.00 65.24           O  
ATOM    144  CB  ARG A  20       0.128   5.163  13.785  1.00 64.62           C  
ATOM    145  CG  ARG A  20      -0.788   5.782  12.738  1.00 64.14           C  
ATOM    146  CD  ARG A  20      -1.828   4.794  12.240  1.00 66.11           C  
ATOM    147  NE  ARG A  20      -1.188   3.594  11.712  1.00 69.27           N  
ATOM    148  CZ  ARG A  20      -1.691   2.363  11.757  1.00 71.78           C  
ATOM    149  NH1 ARG A  20      -2.869   2.140  12.307  1.00 72.42           N  
ATOM    150  NH2 ARG A  20      -1.008   1.344  11.259  1.00 75.49           N  
ATOM    151  N   TYR A  21       2.591   4.541  15.648  1.00 70.96           N  
ATOM    152  CA  TYR A  21       3.104   3.855  16.871  1.00 72.56           C  
ATOM    153  C   TYR A  21       4.001   4.837  17.638  1.00 68.40           C  
ATOM    154  O   TYR A  21       3.926   4.850  18.875  1.00 68.56           O  
ATOM    155  CB  TYR A  21       3.770   2.528  16.480  1.00 78.13           C  
ATOM    156  CG  TYR A  21       4.334   1.682  17.604  1.00 84.27           C  
ATOM    157  CD1 TYR A  21       3.513   1.150  18.595  1.00 87.83           C  
ATOM    158  CD2 TYR A  21       5.690   1.358  17.651  1.00 87.33           C  
ATOM    159  CE1 TYR A  21       4.025   0.354  19.615  1.00 91.27           C  
ATOM    160  CE2 TYR A  21       6.218   0.571  18.665  1.00 91.21           C  
ATOM    161  CZ  TYR A  21       5.383   0.064  19.652  1.00 93.64           C  
ATOM    162  OH  TYR A  21       5.896  -0.715  20.656  1.00 97.31           O  
ATOM    163  N   THR A  22       4.742   5.673  16.902  1.00 65.40           N  
ATOM    164  CA  THR A  22       5.657   6.679  17.420  1.00 65.16           C  
ATOM    165  C   THR A  22       4.995   7.932  17.931  1.00 62.66           C  
ATOM    166  O   THR A  22       5.450   8.515  18.907  1.00 63.28           O  
ATOM    167  CB  THR A  22       6.610   7.156  16.325  1.00 65.61           C  
ATOM    168  OG1 THR A  22       6.679   6.167  15.306  1.00 67.31           O  
ATOM    169  CG2 THR A  22       8.008   7.404  16.882  1.00 67.97           C  
ATOM    170  N   THR A  23       3.959   8.390  17.229  1.00 60.65           N  
ATOM    171  CA  THR A  23       3.098   9.437  17.748  1.00 59.35           C  
ATOM    172  C   THR A  23       2.513   8.966  19.077  1.00 60.90           C  
ATOM    173  O   THR A  23       2.592   9.679  20.088  1.00 60.82           O  
ATOM    174  CB  THR A  23       1.983   9.763  16.757  1.00 57.98           C  
ATOM    175  OG1 THR A  23       2.582  10.082  15.496  1.00 59.03           O  
ATOM    176  CG2 THR A  23       1.126  10.948  17.250  1.00 56.48           C  
ATOM    177  N   GLN A  24       1.970   7.740  19.082  1.00 62.16           N  
ATOM    178  CA  GLN A  24       1.447   7.110  20.292  1.00 64.08           C  
ATOM    179  C   GLN A  24       2.465   7.110  21.446  1.00 66.97           C  
ATOM    180  O   GLN A  24       2.130   7.375  22.598  1.00 68.32           O  
ATOM    181  CB  GLN A  24       0.975   5.686  19.985  1.00 65.70           C  
ATOM    182  CG  GLN A  24       0.185   5.018  21.101  1.00 67.50           C  
ATOM    183  CD  GLN A  24       0.165   3.497  20.971  1.00 71.78           C  
ATOM    184  OE1 GLN A  24       1.231   2.838  20.958  1.00 74.67           O  
ATOM    185  NE2 GLN A  24      -1.046   2.918  20.880  1.00 72.46           N  
ATOM    186  N   TYR A  25       3.728   6.813  21.148  1.00 68.66           N  
ATOM    187  CA  TYR A  25       4.793   6.816  22.182  1.00 71.96           C  
ATOM    188  C   TYR A  25       5.044   8.248  22.687  1.00 71.22           C  
ATOM    189  O   TYR A  25       5.044   8.432  23.921  1.00 73.66           O  
ATOM    190  CB  TYR A  25       6.072   6.153  21.673  1.00 74.89           C  
ATOM    191  CG  TYR A  25       7.190   6.161  22.682  1.00 78.74           C  
ATOM    192  CD1 TYR A  25       7.328   5.135  23.601  1.00 82.25           C  
ATOM    193  CD2 TYR A  25       8.093   7.209  22.735  1.00 80.07           C  
ATOM    194  CE1 TYR A  25       8.344   5.141  24.540  1.00 86.53           C  
ATOM    195  CE2 TYR A  25       9.121   7.228  23.661  1.00 84.64           C  
ATOM    196  CZ  TYR A  25       9.246   6.191  24.568  1.00 87.60           C  
ATOM    197  OH  TYR A  25      10.250   6.206  25.494  1.00 92.47           O  
ATOM    198  N   GLU A  26       5.282   9.222  21.801  1.00 68.84           N  
ATOM    199  CA  GLU A  26       5.577  10.567  22.274  1.00 69.99           C  
ATOM    200  C   GLU A  26       4.352  11.314  22.796  1.00 67.80           C  
ATOM    201  O   GLU A  26       4.495  12.243  23.578  1.00 68.01           O  
ATOM    202  CB  GLU A  26       6.320  11.415  21.244  1.00 71.52           C  
ATOM    203  CG  GLU A  26       7.331  12.402  21.883  1.00 75.66           C  
ATOM    204  CD  GLU A  26       8.783  11.911  21.899  1.00 80.91           C  
ATOM    205  OE1 GLU A  26       8.998  10.689  21.723  1.00 82.26           O  
ATOM    206  OE2 GLU A  26       9.726  12.745  22.092  1.00 86.93           O  
ATOM    207  N   ALA A  27       3.148  10.903  22.386  1.00 65.12           N  
ATOM    208  CA  ALA A  27       1.936  11.510  22.944  1.00 64.84           C  
ATOM    209  C   ALA A  27       1.829  11.122  24.417  1.00 67.49           C  
ATOM    210  O   ALA A  27       1.581  11.975  25.262  1.00 69.36           O  
ATOM    211  CB  ALA A  27       0.678  11.111  22.164  1.00 62.10           C  
ATOM    212  N   LYS A  28       2.057   9.835  24.714  1.00 69.38           N  
ATOM    213  CA  LYS A  28       2.057   9.313  26.084  1.00 73.20           C  
ATOM    214  C   LYS A  28       3.161   9.926  26.959  1.00 76.40           C  
ATOM    215  O   LYS A  28       2.883  10.359  28.078  1.00 80.23           O  
ATOM    216  CB  LYS A  28       2.219   7.795  26.096  1.00 75.70           C  
ATOM    217  CG  LYS A  28       1.007   6.979  25.671  1.00 75.85           C  
ATOM    218  CD  LYS A  28       1.286   5.486  25.883  1.00 79.30           C  
ATOM    219  CE  LYS A  28       0.431   4.583  25.008  1.00 79.25           C  
ATOM    220  NZ  LYS A  28      -0.962   4.404  25.512  1.00 80.15           N  
ATOM    221  N   ARG A  29       4.409   9.923  26.461  1.00 76.67           N  
ATOM    222  CA AARG A  29       5.575  10.589  27.107  0.60 79.38           C  
ATOM    223  CA BARG A  29       5.574  10.594  27.110  0.40 77.97           C  
ATOM    224  C   ARG A  29       5.188  12.035  27.467  1.00 77.36           C  
ATOM    225  O   ARG A  29       5.682  12.533  28.487  1.00 82.03           O  
ATOM    226  CB AARG A  29       6.798  10.536  26.179  0.60 80.76           C  
ATOM    227  CB BARG A  29       6.815  10.612  26.207  0.40 77.55           C  
ATOM    228  CG AARG A  29       8.080  11.071  26.801  0.60 85.96           C  
ATOM    229  CG BARG A  29       7.773   9.450  26.421  0.40 80.05           C  
ATOM    230  CD AARG A  29       9.010  11.798  25.838  0.60 87.65           C  
ATOM    231  CD BARG A  29       9.142   9.689  25.806  0.40 81.37           C  
ATOM    232  NE AARG A  29       9.311  13.162  26.279  0.60 90.12           N  
ATOM    233  NE BARG A  29      10.063  10.480  26.618  0.40 84.37           N  
ATOM    234  CZ AARG A  29      10.302  13.924  25.825  0.60 91.30           C  
ATOM    235  CZ BARG A  29      11.291  10.829  26.239  0.40 86.05           C  
ATOM    236  NH1AARG A  29      11.134  13.463  24.905  0.60 91.86           N  
ATOM    237  NH1BARG A  29      11.748  10.465  25.053  0.40 84.96           N  
ATOM    238  NH2AARG A  29      10.458  15.148  26.305  0.60 92.63           N  
ATOM    239  NH2BARG A  29      12.057  11.543  27.042  0.40 89.36           N  
ATOM    240  N   LEU A  30       4.342  12.669  26.649  1.00 71.50           N  
ATOM    241  CA  LEU A  30       3.906  14.040  26.848  1.00 69.68           C  
ATOM    242  C   LEU A  30       2.609  14.204  27.692  1.00 68.89           C  
ATOM    243  O   LEU A  30       2.154  15.329  27.930  1.00 67.68           O  
ATOM    244  CB  LEU A  30       3.682  14.650  25.472  1.00 67.05           C  
ATOM    245  CG  LEU A  30       4.918  14.845  24.606  1.00 67.30           C  
ATOM    246  CD1 LEU A  30       4.569  15.020  23.123  1.00 64.44           C  
ATOM    247  CD2 LEU A  30       5.682  16.042  25.145  1.00 69.78           C  
ATOM    248  N   GLY A  31       2.020  13.081  28.125  1.00 68.35           N  
ATOM    249  CA  GLY A  31       0.867  13.071  29.016  1.00 68.89           C  
ATOM    250  C   GLY A  31      -0.335  13.752  28.379  1.00 66.14           C  
ATOM    251  O   GLY A  31      -1.024  14.525  29.052  1.00 65.98           O  
ATOM    252  N   LEU A  32      -0.524  13.469  27.075  1.00 62.99           N  
ATOM    253  CA  LEU A  32      -1.559  13.994  26.185  1.00 60.00           C  
ATOM    254  C   LEU A  32      -2.446  12.836  25.763  1.00 59.96           C  
ATOM    255  O   LEU A  32      -1.982  11.703  25.658  1.00 62.82           O  
ATOM    256  CB  LEU A  32      -0.963  14.533  24.884  1.00 56.94           C  
ATOM    257  CG  LEU A  32       0.099  15.610  24.897  1.00 56.97           C  
ATOM    258  CD1 LEU A  32       0.561  15.920  23.490  1.00 54.09           C  
ATOM    259  CD2 LEU A  32      -0.444  16.835  25.588  1.00 58.13           C  
ATOM    260  N   THR A  33      -3.700  13.138  25.443  1.00 58.01           N  
ATOM    261  CA  THR A  33      -4.681  12.118  25.136  1.00 57.84           C  
ATOM    262  C   THR A  33      -5.215  12.335  23.743  1.00 54.82           C  
ATOM    263  O   THR A  33      -4.984  13.369  23.161  1.00 53.95           O  
ATOM    264  CB  THR A  33      -5.830  12.153  26.152  1.00 60.30           C  
ATOM    265  OG1 THR A  33      -6.718  11.073  25.867  1.00 61.35           O  
ATOM    266  CG2 THR A  33      -6.584  13.523  26.141  1.00 59.56           C  
ATOM    267  N   GLY A  34      -5.903  11.338  23.188  1.00 54.36           N  
ATOM    268  CA  GLY A  34      -6.351  11.403  21.796  1.00 53.18           C  
ATOM    269  C   GLY A  34      -6.102  10.154  20.964  1.00 53.02           C  
ATOM    270  O   GLY A  34      -6.203   9.036  21.491  1.00 55.64           O  
ATOM    271  N   TYR A  35      -5.781  10.322  19.672  1.00 50.68           N  
ATOM    272  CA  TYR A  35      -5.515   9.175  18.760  1.00 52.20           C  
ATOM    273  C   TYR A  35      -4.917   9.638  17.426  1.00 51.58           C  
ATOM    274  O   TYR A  35      -5.086  10.828  17.079  1.00 50.72           O  
ATOM    275  CB  TYR A  35      -6.809   8.403  18.490  1.00 53.13           C  
ATOM    276  CG  TYR A  35      -7.832   9.232  17.776  1.00 52.00           C  
ATOM    277  CD1 TYR A  35      -7.792   9.399  16.403  1.00 51.76           C  
ATOM    278  CD2 TYR A  35      -8.801   9.908  18.488  1.00 52.84           C  
ATOM    279  CE1 TYR A  35      -8.743  10.168  15.747  1.00 52.58           C  
ATOM    280  CE2 TYR A  35      -9.770  10.670  17.849  1.00 53.17           C  
ATOM    281  CZ  TYR A  35      -9.749  10.802  16.472  1.00 53.07           C  
ATOM    282  OH  TYR A  35     -10.688  11.600  15.863  1.00 52.47           O  
ATOM    283  N   ALA A  36      -4.284   8.705  16.696  1.00 52.64           N  
ATOM    284  CA  ALA A  36      -3.777   8.924  15.339  1.00 53.13           C  
ATOM    285  C   ALA A  36      -4.382   7.870  14.442  1.00 55.70           C  
ATOM    286  O   ALA A  36      -4.552   6.735  14.861  1.00 58.25           O  
ATOM    287  CB  ALA A  36      -2.262   8.818  15.308  1.00 53.94           C  
ATOM    288  N   LYS A  37      -4.707   8.247  13.202  1.00 57.11           N  
ATOM    289  CA  LYS A  37      -5.368   7.352  12.247  1.00 60.15           C  
ATOM    290  C   LYS A  37      -4.913   7.578  10.797  1.00 59.79           C  
ATOM    291  O   LYS A  37      -4.833   8.700  10.347  1.00 58.30           O  
ATOM    292  CB  LYS A  37      -6.886   7.544  12.392  1.00 62.98           C  
ATOM    293  CG  LYS A  37      -7.704   7.597  11.120  1.00 64.67           C  
ATOM    294  CD  LYS A  37      -9.169   7.197  11.371  1.00 69.49           C  
ATOM    295  CE  LYS A  37      -9.911   8.057  12.393  1.00 69.02           C  
ATOM    296  NZ  LYS A  37     -11.212   7.457  12.853  1.00 72.07           N  
ATOM    297  N   ASN A  38      -4.634   6.498  10.064  1.00 62.24           N  
ATOM    298  CA  ASN A  38      -4.309   6.608   8.644  1.00 64.46           C  
ATOM    299  C   ASN A  38      -5.558   6.867   7.782  1.00 67.33           C  
ATOM    300  O   ASN A  38      -6.647   6.335   8.076  1.00 68.07           O  
ATOM    301  CB  ASN A  38      -3.597   5.347   8.150  1.00 67.39           C  
ATOM    302  CG  ASN A  38      -2.149   5.250   8.630  1.00 68.08           C  
ATOM    303  OD1 ASN A  38      -1.670   6.056   9.439  1.00 66.52           O  
ATOM    304  ND2 ASN A  38      -1.439   4.250   8.117  1.00 71.13           N  
ATOM    305  N   LEU A  39      -5.382   7.662   6.711  1.00 67.51           N  
ATOM    306  CA  LEU A  39      -6.460   8.077   5.797  1.00 68.07           C  
ATOM    307  C   LEU A  39      -6.240   7.549   4.357  1.00 69.59           C  
ATOM    308  O   LEU A  39      -5.102   7.283   3.954  1.00 70.03           O  
ATOM    309  CB  LEU A  39      -6.567   9.622   5.793  1.00 67.00           C  
ATOM    310  CG  LEU A  39      -7.480  10.394   6.759  1.00 65.88           C  
ATOM    311  CD1 LEU A  39      -7.683   9.672   8.071  1.00 66.10           C  
ATOM    312  CD2 LEU A  39      -6.935  11.790   7.037  1.00 63.95           C  
ATOM    313  N   ASP A  40      -7.344   7.462   3.593  1.00 71.37           N  
ATOM    314  CA AASP A  40      -7.370   6.919   2.228  0.60 73.38           C  
ATOM    315  CA BASP A  40      -7.372   6.918   2.226  0.40 73.54           C  
ATOM    316  C   ASP A  40      -6.482   7.677   1.234  1.00 72.78           C  
ATOM    317  O   ASP A  40      -6.082   7.130   0.215  1.00 75.87           O  
ATOM    318  CB AASP A  40      -8.821   6.823   1.701  0.60 75.97           C  
ATOM    319  CB BASP A  40      -8.810   6.898   1.682  0.40 76.18           C  
ATOM    320  CG AASP A  40      -9.480   8.191   1.447  0.60 75.00           C  
ATOM    321  CG BASP A  40      -9.575   5.647   2.078  0.40 78.58           C  
ATOM    322  OD1AASP A  40      -8.950   9.241   1.858  0.60 71.23           O  
ATOM    323  OD1BASP A  40      -8.981   4.758   2.726  0.40 77.57           O  
ATOM    324  OD2AASP A  40     -10.565   8.207   0.829  0.60 77.59           O  
ATOM    325  OD2BASP A  40     -10.776   5.557   1.731  0.40 81.08           O  
ATOM    326  N   ASP A  41      -6.186   8.944   1.540  1.00 69.19           N  
ATOM    327  CA  ASP A  41      -5.371   9.797   0.692  1.00 67.96           C  
ATOM    328  C   ASP A  41      -3.860   9.802   1.067  1.00 65.67           C  
ATOM    329  O   ASP A  41      -3.118  10.730   0.730  1.00 64.05           O  
ATOM    330  CB  ASP A  41      -5.988  11.205   0.689  1.00 67.31           C  
ATOM    331  CG  ASP A  41      -5.618  12.040   1.902  1.00 64.86           C  
ATOM    332  OD1 ASP A  41      -5.195  11.487   2.951  1.00 64.74           O  
ATOM    333  OD2 ASP A  41      -5.731  13.286   1.794  1.00 64.12           O  
ATOM    334  N   GLY A  42      -3.422   8.755   1.770  1.00 64.53           N  
ATOM    335  CA  GLY A  42      -2.036   8.594   2.132  1.00 63.72           C  
ATOM    336  C   GLY A  42      -1.527   9.487   3.250  1.00 61.08           C  
ATOM    337  O   GLY A  42      -0.325   9.545   3.495  1.00 61.78           O  
ATOM    338  N   SER A  43      -2.439  10.170   3.947  1.00 58.84           N  
ATOM    339  CA  SER A  43      -2.059  11.047   5.029  1.00 55.80           C  
ATOM    340  C   SER A  43      -2.371  10.341   6.341  1.00 54.40           C  
ATOM    341  O   SER A  43      -2.873   9.239   6.327  1.00 55.95           O  
ATOM    342  CB  SER A  43      -2.785  12.375   4.898  1.00 55.05           C  
ATOM    343  OG  SER A  43      -4.025  12.279   5.526  1.00 55.17           O  
ATOM    344  N   VAL A  44      -2.023  10.981   7.459  1.00 52.74           N  
ATOM    345  CA  VAL A  44      -2.274  10.509   8.806  1.00 52.44           C  
ATOM    346  C   VAL A  44      -2.869  11.696   9.566  1.00 51.41           C  
ATOM    347  O   VAL A  44      -2.350  12.809   9.539  1.00 51.32           O  
ATOM    348  CB  VAL A  44      -0.974  10.144   9.550  1.00 53.53           C  
ATOM    349  CG1 VAL A  44      -1.268   9.674  10.964  1.00 52.88           C  
ATOM    350  CG2 VAL A  44      -0.182   9.096   8.785  1.00 56.10           C  
ATOM    351  N   GLU A  45      -3.934  11.429  10.308  1.00 52.01           N  
ATOM    352  CA  GLU A  45      -4.605  12.425  11.119  1.00 52.76           C  
ATOM    353  C   GLU A  45      -4.191  12.208  12.564  1.00 50.37           C  
ATOM    354  O   GLU A  45      -4.143  11.096  13.063  1.00 51.06           O  
ATOM    355  CB  GLU A  45      -6.128  12.323  10.947  1.00 55.60           C  
ATOM    356  CG  GLU A  45      -6.909  12.908  12.108  1.00 58.43           C  
ATOM    357  CD  GLU A  45      -8.433  13.016  11.848  1.00 63.46           C  
ATOM    358  OE1 GLU A  45      -8.873  12.917  10.679  1.00 66.63           O  
ATOM    359  OE2 GLU A  45      -9.213  13.221  12.820  1.00 66.75           O  
ATOM    360  N   VAL A  46      -3.872  13.297  13.241  1.00 48.50           N  
ATOM    361  CA  VAL A  46      -3.512  13.223  14.615  1.00 48.71           C  
ATOM    362  C   VAL A  46      -4.448  14.168  15.350  1.00 48.52           C  
ATOM    363  O   VAL A  46      -4.620  15.300  14.947  1.00 47.11           O  
ATOM    364  CB  VAL A  46      -2.018  13.591  14.826  1.00 47.90           C  
ATOM    365  CG1 VAL A  46      -1.719  13.673  16.313  1.00 48.07           C  
ATOM    366  CG2 VAL A  46      -1.116  12.564  14.143  1.00 48.51           C  
ATOM    367  N   VAL A  47      -5.039  13.669  16.438  1.00 50.53           N  
ATOM    368  CA  VAL A  47      -5.915  14.432  17.342  1.00 52.38           C  
ATOM    369  C   VAL A  47      -5.319  14.366  18.725  1.00 52.56           C  
ATOM    370  O   VAL A  47      -5.076  13.276  19.210  1.00 53.74           O  
ATOM    371  CB  VAL A  47      -7.325  13.805  17.416  1.00 52.42           C  
ATOM    372  CG1 VAL A  47      -8.252  14.721  18.167  1.00 53.55           C  
ATOM    373  CG2 VAL A  47      -7.840  13.534  16.023  1.00 52.50           C  
ATOM    374  N   ALA A  48      -5.103  15.525  19.356  1.00 54.13           N  
ATOM    375  CA  ALA A  48      -4.307  15.609  20.602  1.00 56.20           C  
ATOM    376  C   ALA A  48      -4.791  16.713  21.560  1.00 57.89           C  
ATOM    377  O   ALA A  48      -4.970  17.867  21.159  1.00 56.44           O  
ATOM    378  CB  ALA A  48      -2.805  15.772  20.301  1.00 55.17           C  
ATOM    379  N   CYS A  49      -4.969  16.313  22.827  1.00 60.89           N  
ATOM    380  CA  CYS A  49      -5.506  17.110  23.920  1.00 63.85           C  
ATOM    381  C   CYS A  49      -4.606  16.971  25.181  1.00 65.22           C  
ATOM    382  O   CYS A  49      -4.126  15.879  25.506  1.00 65.13           O  
ATOM    383  CB  CYS A  49      -6.946  16.630  24.207  1.00 66.36           C  
ATOM    384  SG  CYS A  49      -8.044  16.727  22.758  1.00 66.35           S  
ATOM    385  N   GLY A  50      -4.391  18.093  25.872  1.00 65.86           N  
ATOM    386  CA  GLY A  50      -3.611  18.153  27.089  1.00 67.83           C  
ATOM    387  C   GLY A  50      -3.274  19.601  27.309  1.00 69.52           C  
ATOM    388  O   GLY A  50      -3.959  20.451  26.774  1.00 69.39           O  
ATOM    389  N   GLU A  51      -2.201  19.869  28.056  1.00 72.53           N  
ATOM    390  CA  GLU A  51      -1.770  21.223  28.396  1.00 75.80           C  
ATOM    391  C   GLU A  51      -1.065  21.852  27.208  1.00 75.26           C  
ATOM    392  O   GLU A  51      -0.251  21.192  26.547  1.00 73.05           O  
ATOM    393  CB  GLU A  51      -0.775  21.207  29.561  1.00 80.83           C  
ATOM    394  CG  GLU A  51      -1.188  20.382  30.764  1.00 83.16           C  
ATOM    395  CD  GLU A  51      -1.992  21.166  31.771  1.00 86.69           C  
ATOM    396  OE1 GLU A  51      -2.432  22.284  31.428  1.00 86.86           O  
ATOM    397  OE2 GLU A  51      -2.178  20.655  32.901  1.00 89.86           O  
ATOM    398  N   GLU A  52      -1.314  23.153  27.004  1.00 77.81           N  
ATOM    399  CA  GLU A  52      -0.930  23.898  25.788  1.00 78.13           C  
ATOM    400  C   GLU A  52       0.537  23.762  25.327  1.00 76.73           C  
ATOM    401  O   GLU A  52       0.840  23.883  24.139  1.00 74.84           O  
ATOM    402  CB  GLU A  52      -1.275  25.385  25.956  1.00 82.92           C  
ATOM    403  CG  GLU A  52      -1.169  26.179  24.656  1.00 84.95           C  
ATOM    404  CD  GLU A  52      -1.818  27.556  24.727  1.00 90.07           C  
ATOM    405  OE1 GLU A  52      -2.727  27.778  25.568  1.00 92.58           O  
ATOM    406  OE2 GLU A  52      -1.421  28.421  23.913  1.00 93.69           O  
ATOM    407  N   GLY A  53       1.436  23.544  26.289  1.00 78.41           N  
ATOM    408  CA  GLY A  53       2.865  23.449  26.050  1.00 78.22           C  
ATOM    409  C   GLY A  53       3.198  22.071  25.567  1.00 74.69           C  
ATOM    410  O   GLY A  53       3.861  21.932  24.553  1.00 75.18           O  
ATOM    411  N   GLN A  54       2.699  21.057  26.282  1.00 72.88           N  
ATOM    412  CA  GLN A  54       2.850  19.657  25.892  1.00 70.08           C  
ATOM    413  C   GLN A  54       2.311  19.368  24.490  1.00 67.37           C  
ATOM    414  O   GLN A  54       2.854  18.492  23.809  1.00 67.00           O  
ATOM    415  CB  GLN A  54       2.147  18.723  26.881  1.00 69.39           C  
ATOM    416  CG  GLN A  54       2.537  18.894  28.333  1.00 72.51           C  
ATOM    417  CD  GLN A  54       3.996  18.607  28.596  1.00 74.08           C  
ATOM    418  OE1 GLN A  54       4.868  19.439  28.340  1.00 74.74           O  
ATOM    419  NE2 GLN A  54       4.264  17.428  29.118  1.00 74.36           N  
ATOM    420  N   VAL A  55       1.243  20.082  24.081  1.00 65.97           N  
ATOM    421  CA  VAL A  55       0.637  19.953  22.732  1.00 63.18           C  
ATOM    422  C   VAL A  55       1.522  20.601  21.657  1.00 64.43           C  
ATOM    423  O   VAL A  55       1.673  20.053  20.567  1.00 62.65           O  
ATOM    424  CB  VAL A  55      -0.808  20.553  22.640  1.00 61.24           C  
ATOM    425  CG1 VAL A  55      -1.299  20.571  21.205  1.00 58.80           C  
ATOM    426  CG2 VAL A  55      -1.804  19.788  23.511  1.00 60.46           C  
ATOM    427  N   GLU A  56       2.095  21.772  21.975  1.00 68.94           N  
ATOM    428  CA  GLU A  56       3.055  22.457  21.098  1.00 71.49           C  
ATOM    429  C   GLU A  56       4.322  21.627  20.896  1.00 70.61           C  
ATOM    430  O   GLU A  56       4.955  21.684  19.840  1.00 69.68           O  
ATOM    431  CB  GLU A  56       3.437  23.841  21.644  1.00 78.46           C  
ATOM    432  CG  GLU A  56       2.426  24.952  21.358  1.00 82.60           C  
ATOM    433  CD  GLU A  56       2.258  25.263  19.869  1.00 84.84           C  
ATOM    434  OE1 GLU A  56       3.306  25.415  19.173  1.00 90.56           O  
ATOM    435  OE2 GLU A  56       1.087  25.361  19.401  1.00 83.23           O  
ATOM    436  N   LYS A  57       4.690  20.858  21.921  1.00 70.14           N  
ATOM    437  CA  LYS A  57       5.786  19.930  21.805  1.00 71.06           C  
ATOM    438  C   LYS A  57       5.451  18.782  20.833  1.00 68.60           C  
ATOM    439  O   LYS A  57       6.301  18.375  20.041  1.00 68.82           O  
ATOM    440  CB  LYS A  57       6.238  19.447  23.183  1.00 73.94           C  
ATOM    441  CG  LYS A  57       6.844  20.552  24.065  1.00 77.43           C  
ATOM    442  CD  LYS A  57       7.759  19.981  25.133  1.00 80.63           C  
ATOM    443  CE  LYS A  57       7.612  20.672  26.472  1.00 84.06           C  
ATOM    444  NZ  LYS A  57       8.291  19.830  27.491  1.00 87.40           N  
ATOM    445  N   LEU A  58       4.202  18.304  20.830  1.00 66.29           N  
ATOM    446  CA  LEU A  58       3.788  17.361  19.790  1.00 63.59           C  
ATOM    447  C   LEU A  58       3.732  18.007  18.392  1.00 61.39           C  
ATOM    448  O   LEU A  58       4.130  17.370  17.436  1.00 60.44           O  
ATOM    449  CB  LEU A  58       2.451  16.705  20.123  1.00 63.94           C  
ATOM    450  CG  LEU A  58       1.988  15.566  19.193  1.00 62.24           C  
ATOM    451  CD1 LEU A  58       2.836  14.332  19.414  1.00 62.64           C  
ATOM    452  CD2 LEU A  58       0.514  15.223  19.393  1.00 60.86           C  
ATOM    453  N   MET A  59       3.224  19.247  18.275  1.00 61.23           N  
ATOM    454  CA AMET A  59       3.210  20.008  17.012  0.44 60.65           C  
ATOM    455  CA BMET A  59       3.201  19.921  16.976  0.56 60.73           C  
ATOM    456  C   MET A  59       4.636  20.139  16.469  1.00 61.27           C  
ATOM    457  O   MET A  59       4.897  19.891  15.303  1.00 60.04           O  
ATOM    458  CB AMET A  59       2.644  21.433  17.206  0.44 62.69           C  
ATOM    459  CB BMET A  59       2.345  21.208  16.963  0.56 62.56           C  
ATOM    460  CG AMET A  59       1.147  21.552  17.500  0.44 63.07           C  
ATOM    461  CG BMET A  59       0.896  20.970  16.493  0.56 62.56           C  
ATOM    462  SD AMET A  59       0.513  23.267  17.590  0.44 66.52           S  
ATOM    463  SD BMET A  59      -0.252  22.392  16.405  0.56 66.63           S  
ATOM    464  CE AMET A  59       0.800  23.826  15.901  0.44 65.84           C  
ATOM    465  CE BMET A  59      -0.276  22.970  18.107  0.56 67.63           C  
ATOM    466  N   GLN A  60       5.562  20.558  17.347  1.00 61.85           N  
ATOM    467  CA  GLN A  60       7.007  20.629  16.997  1.00 64.26           C  
ATOM    468  C   GLN A  60       7.555  19.312  16.441  1.00 61.77           C  
ATOM    469  O   GLN A  60       8.098  19.273  15.340  1.00 60.64           O  
ATOM    470  CB  GLN A  60       7.914  21.023  18.185  1.00 67.79           C  
ATOM    471  CG  GLN A  60       7.980  22.506  18.494  1.00 70.33           C  
ATOM    472  CD  GLN A  60       9.375  22.974  18.802  1.00 75.39           C  
ATOM    473  OE1 GLN A  60       9.745  24.080  18.437  1.00 78.46           O  
ATOM    474  NE2 GLN A  60      10.167  22.140  19.477  1.00 77.50           N  
ATOM    475  N   TRP A  61       7.405  18.249  17.234  1.00 60.65           N  
ATOM    476  CA  TRP A  61       7.791  16.895  16.863  1.00 60.45           C  
ATOM    477  C   TRP A  61       7.202  16.377  15.533  1.00 59.39           C  
ATOM    478  O   TRP A  61       7.916  15.789  14.711  1.00 60.24           O  
ATOM    479  CB  TRP A  61       7.409  15.963  17.993  1.00 59.69           C  
ATOM    480  CG  TRP A  61       7.959  14.615  17.826  1.00 59.47           C  
ATOM    481  CD1 TRP A  61       9.210  14.189  18.135  1.00 60.97           C  
ATOM    482  CD2 TRP A  61       7.251  13.481  17.340  1.00 57.51           C  
ATOM    483  NE1 TRP A  61       9.342  12.858  17.844  1.00 60.98           N  
ATOM    484  CE2 TRP A  61       8.150  12.390  17.361  1.00 58.49           C  
ATOM    485  CE3 TRP A  61       5.945  13.280  16.886  1.00 54.63           C  
ATOM    486  CZ2 TRP A  61       7.788  11.119  16.946  1.00 57.80           C  
ATOM    487  CZ3 TRP A  61       5.582  12.015  16.455  1.00 54.40           C  
ATOM    488  CH2 TRP A  61       6.505  10.946  16.495  1.00 56.12           C  
ATOM    489  N   LEU A  62       5.895  16.573  15.324  1.00 58.04           N  
ATOM    490  CA  LEU A  62       5.274  16.242  14.045  1.00 56.22           C  
ATOM    491  C   LEU A  62       5.928  17.071  12.960  1.00 56.84           C  
ATOM    492  O   LEU A  62       6.325  16.539  11.924  1.00 56.80           O  
ATOM    493  CB  LEU A  62       3.767  16.520  14.081  1.00 55.39           C  
ATOM    494  CG  LEU A  62       2.969  15.496  14.896  1.00 54.55           C  
ATOM    495  CD1 LEU A  62       1.525  15.929  14.935  1.00 52.90           C  
ATOM    496  CD2 LEU A  62       3.107  14.080  14.344  1.00 54.67           C  
ATOM    497  N   LYS A  63       6.058  18.377  13.223  1.00 57.83           N  
ATOM    498  CA  LYS A  63       6.490  19.345  12.220  1.00 59.13           C  
ATOM    499  C   LYS A  63       7.924  19.144  11.792  1.00 60.67           C  
ATOM    500  O   LYS A  63       8.226  19.297  10.620  1.00 60.78           O  
ATOM    501  CB  LYS A  63       6.253  20.785  12.680  1.00 61.59           C  
ATOM    502  CG  LYS A  63       4.826  21.257  12.441  1.00 62.12           C  
ATOM    503  CD  LYS A  63       4.470  22.603  13.078  1.00 65.10           C  
ATOM    504  CE  LYS A  63       5.394  23.714  12.602  1.00 69.22           C  
ATOM    505  NZ  LYS A  63       5.476  23.740  11.113  1.00 69.82           N  
ATOM    506  N   SER A  64       8.797  18.793  12.745  1.00 61.87           N  
ATOM    507  CA  SER A  64      10.215  18.492  12.480  1.00 63.23           C  
ATOM    508  C   SER A  64      10.456  17.103  11.862  1.00 63.06           C  
ATOM    509  O   SER A  64      11.602  16.727  11.630  1.00 65.97           O  
ATOM    510  CB  SER A  64      11.035  18.636  13.761  1.00 64.93           C  
ATOM    511  OG  SER A  64      10.752  17.593  14.681  1.00 63.45           O  
ATOM    512  N   GLY A  65       9.384  16.339  11.605  1.00 60.83           N  
ATOM    513  CA  GLY A  65       9.462  15.141  10.772  1.00 61.05           C  
ATOM    514  C   GLY A  65       9.006  13.805  11.351  1.00 61.47           C  
ATOM    515  O   GLY A  65       9.184  12.754  10.709  1.00 61.83           O  
ATOM    516  N   GLY A  66       8.406  13.814  12.549  1.00 60.41           N  
ATOM    517  CA  GLY A  66       8.144  12.566  13.255  1.00 61.17           C  
ATOM    518  C   GLY A  66       9.351  11.627  13.381  1.00 63.89           C  
ATOM    519  O   GLY A  66      10.439  12.068  13.743  1.00 66.32           O  
ATOM    520  N   PRO A  67       9.187  10.304  13.129  1.00 65.81           N  
ATOM    521  CA  PRO A  67      10.279   9.337  13.270  1.00 68.86           C  
ATOM    522  C   PRO A  67      11.279   9.395  12.109  1.00 72.37           C  
ATOM    523  O   PRO A  67      10.950   9.963  11.106  1.00 72.77           O  
ATOM    524  CB  PRO A  67       9.562   7.982  13.257  1.00 68.41           C  
ATOM    525  CG  PRO A  67       8.309   8.222  12.430  1.00 65.83           C  
ATOM    526  CD  PRO A  67       7.921   9.658  12.724  1.00 64.09           C  
ATOM    527  N  AARG A  68      12.455   8.771  12.275  0.58 76.92           N  
ATOM    528  N  BARG A  68      12.458   8.790  12.291  0.42 75.97           N  
ATOM    529  CA AARG A  68      13.580   8.779  11.293  0.58 79.61           C  
ATOM    530  CA BARG A  68      13.586   8.755  11.316  0.42 78.36           C  
ATOM    531  C  AARG A  68      13.121   8.188   9.953  0.58 77.24           C  
ATOM    532  C  BARG A  68      13.124   8.187   9.967  0.42 76.71           C  
ATOM    533  O  AARG A  68      13.592   8.661   8.906  0.58 77.40           O  
ATOM    534  O  BARG A  68      13.595   8.680   8.927  0.42 77.10           O  
ATOM    535  CB AARG A  68      14.797   8.013  11.833  0.58 86.04           C  
ATOM    536  CB BARG A  68      14.723   7.911  11.900  0.42 83.33           C  
ATOM    537  CG AARG A  68      14.644   6.496  11.910  0.58 89.32           C  
ATOM    538  CG BARG A  68      15.510   7.103  10.876  0.42 87.10           C  
ATOM    539  CD AARG A  68      15.913   5.758  12.345  0.58 95.81           C  
ATOM    540  CD BARG A  68      16.313   5.981  11.519  0.42 91.53           C  
ATOM    541  NE AARG A  68      16.827   5.407  11.251  0.58100.20           N  
ATOM    542  NE BARG A  68      15.479   5.036  12.258  0.42 90.88           N  
ATOM    543  CZ AARG A  68      16.617   4.441  10.351  0.58102.08           C  
ATOM    544  CZ BARG A  68      14.607   4.201  11.699  0.42 89.62           C  
ATOM    545  NH1AARG A  68      15.512   3.711  10.385  0.58100.73           N  
ATOM    546  NH1BARG A  68      14.447   4.193  10.387  0.42 89.15           N  
ATOM    547  NH2AARG A  68      17.515   4.217   9.404  0.58105.66           N  
ATOM    548  NH2BARG A  68      13.895   3.382  12.454  0.42 89.11           N  
ATOM    549  N   SER A  69      12.246   7.183   9.990  1.00 75.16           N  
ATOM    550  CA  SER A  69      11.823   6.488   8.797  1.00 75.53           C  
ATOM    551  C   SER A  69      10.874   7.272   7.882  1.00 73.48           C  
ATOM    552  O   SER A  69      10.717   6.910   6.730  1.00 76.38           O  
ATOM    553  CB  SER A  69      11.154   5.175   9.193  1.00 76.42           C  
ATOM    554  OG  SER A  69      12.094   4.244   9.704  1.00 80.90           O  
ATOM    555  N   ALA A  70      10.218   8.316   8.403  1.00 69.72           N  
ATOM    556  CA  ALA A  70       9.225   9.076   7.653  1.00 65.87           C  
ATOM    557  C   ALA A  70       9.907  10.178   6.890  1.00 65.81           C  
ATOM    558  O   ALA A  70      11.103  10.391   7.039  1.00 67.53           O  
ATOM    559  CB  ALA A  70       8.190   9.667   8.596  1.00 63.35           C  
ATOM    560  N  AARG A  71       9.137  10.879   6.052  0.56 64.19           N  
ATOM    561  N  BARG A  71       9.130  10.861   6.047  0.44 63.83           N  
ATOM    562  CA AARG A  71       9.566  12.123   5.359  0.56 64.94           C  
ATOM    563  CA BARG A  71       9.534  12.108   5.351  0.44 64.24           C  
ATOM    564  C  AARG A  71       8.347  13.044   5.253  0.56 62.84           C  
ATOM    565  C  BARG A  71       8.314  13.024   5.268  0.44 62.30           C  
ATOM    566  O  AARG A  71       7.609  12.946   4.255  0.56 63.78           O  
ATOM    567  O  BARG A  71       7.551  12.905   4.291  0.44 62.96           O  
ATOM    568  CB AARG A  71      10.197  11.807   3.997  0.56 67.71           C  
ATOM    569  CB BARG A  71      10.084  11.824   3.952  0.44 66.37           C  
ATOM    570  CG AARG A  71      11.008  12.957   3.412  0.56 69.81           C  
ATOM    571  CG BARG A  71      10.567  13.080   3.243  0.44 67.47           C  
ATOM    572  CD AARG A  71      11.911  12.558   2.254  0.56 72.86           C  
ATOM    573  CD BARG A  71      11.026  14.125   4.246  0.44 66.76           C  
ATOM    574  NE AARG A  71      11.177  11.909   1.175  0.56 72.96           N  
ATOM    575  NE BARG A  71      11.881  15.120   3.624  0.44 68.97           N  
ATOM    576  CZ AARG A  71      10.374  12.518   0.304  0.56 72.22           C  
ATOM    577  CZ BARG A  71      11.497  16.343   3.298  0.44 68.44           C  
ATOM    578  NH1AARG A  71      10.176  13.824   0.368  0.56 71.54           N  
ATOM    579  NH1BARG A  71      10.259  16.737   3.544  0.44 65.49           N  
ATOM    580  NH2AARG A  71       9.771  11.812  -0.639  0.56 72.64           N  
ATOM    581  NH2BARG A  71      12.356  17.168   2.728  0.44 71.10           N  
ATOM    582  N   VAL A  72       8.140  13.882   6.273  1.00 60.72           N  
ATOM    583  CA  VAL A  72       7.012  14.771   6.356  1.00 58.04           C  
ATOM    584  C   VAL A  72       7.187  15.954   5.425  1.00 59.33           C  
ATOM    585  O   VAL A  72       8.241  16.565   5.402  1.00 64.83           O  
ATOM    586  CB  VAL A  72       6.855  15.248   7.798  1.00 56.07           C  
ATOM    587  CG1 VAL A  72       5.741  16.275   7.922  1.00 54.87           C  
ATOM    588  CG2 VAL A  72       6.626  14.045   8.703  1.00 55.14           C  
ATOM    589  N   GLU A  73       6.143  16.281   4.661  1.00 58.84           N  
ATOM    590  CA  GLU A  73       6.210  17.323   3.648  1.00 60.55           C  
ATOM    591  C   GLU A  73       5.327  18.515   3.902  1.00 60.00           C  
ATOM    592  O   GLU A  73       5.653  19.611   3.481  1.00 61.76           O  
ATOM    593  CB  GLU A  73       5.929  16.729   2.285  1.00 62.63           C  
ATOM    594  CG  GLU A  73       7.003  15.715   1.909  1.00 65.58           C  
ATOM    595  CD  GLU A  73       6.749  15.008   0.599  1.00 68.21           C  
ATOM    596  OE1 GLU A  73       5.849  15.434  -0.156  1.00 69.48           O  
ATOM    597  OE2 GLU A  73       7.458  14.009   0.328  1.00 71.01           O  
ATOM    598  N   ARG A  74       4.205  18.288   4.595  1.00 58.46           N  
ATOM    599  CA AARG A  74       3.214  19.330   4.976  0.49 57.38           C  
ATOM    600  CA BARG A  74       3.236  19.338   4.992  0.51 57.24           C  
ATOM    601  C   ARG A  74       2.501  18.852   6.243  1.00 55.42           C  
ATOM    602  O   ARG A  74       2.185  17.644   6.295  1.00 54.28           O  
ATOM    603  CB AARG A  74       2.164  19.553   3.878  0.49 58.57           C  
ATOM    604  CB BARG A  74       2.277  19.588   3.826  0.51 58.46           C  
ATOM    605  CG AARG A  74       2.698  20.054   2.541  0.49 61.35           C  
ATOM    606  CG BARG A  74       1.606  20.953   3.817  0.51 59.14           C  
ATOM    607  CD AARG A  74       1.615  20.464   1.543  0.49 62.38           C  
ATOM    608  CD BARG A  74       0.791  21.135   2.552  0.51 60.69           C  
ATOM    609  NE AARG A  74       0.828  19.347   1.020  0.49 61.82           N  
ATOM    610  NE BARG A  74      -0.294  22.074   2.769  0.51 61.27           N  
ATOM    611  CZ AARG A  74       1.150  18.613  -0.045  0.49 62.94           C  
ATOM    612  CZ BARG A  74      -0.168  23.394   2.769  0.51 62.96           C  
ATOM    613  NH1AARG A  74       2.254  18.864  -0.729  0.49 64.41           N  
ATOM    614  NH1BARG A  74       1.005  23.966   2.550  0.51 64.90           N  
ATOM    615  NH2AARG A  74       0.358  17.626  -0.422  0.49 62.84           N  
ATOM    616  NH2BARG A  74      -1.226  24.148   2.990  0.51 63.80           N  
ATOM    617  N   VAL A  75       2.277  19.752   7.207  1.00 55.21           N  
ATOM    618  CA  VAL A  75       1.416  19.487   8.358  1.00 53.63           C  
ATOM    619  C   VAL A  75       0.359  20.594   8.398  1.00 55.73           C  
ATOM    620  O   VAL A  75       0.683  21.751   8.240  1.00 57.40           O  
ATOM    621  CB  VAL A  75       2.179  19.457   9.682  1.00 52.51           C  
ATOM    622  CG1 VAL A  75       1.220  19.199  10.823  1.00 50.89           C  
ATOM    623  CG2 VAL A  75       3.226  18.356   9.663  1.00 52.75           C  
ATOM    624  N   LEU A  76      -0.915  20.228   8.574  1.00 55.87           N  
ATOM    625  CA  LEU A  76      -1.966  21.200   8.763  1.00 57.22           C  
ATOM    626  C   LEU A  76      -2.592  20.925  10.096  1.00 57.19           C  
ATOM    627  O   LEU A  76      -3.265  19.899  10.221  1.00 57.76           O  
ATOM    628  CB  LEU A  76      -3.020  21.026   7.689  1.00 59.36           C  
ATOM    629  CG  LEU A  76      -2.515  21.400   6.313  1.00 62.05           C  
ATOM    630  CD1 LEU A  76      -1.524  20.368   5.825  1.00 63.25           C  
ATOM    631  CD2 LEU A  76      -3.648  21.533   5.322  1.00 64.38           C  
ATOM    632  N   SER A  77      -2.348  21.801  11.087  1.00 58.56           N  
ATOM    633  CA  SER A  77      -3.022  21.764  12.424  1.00 59.59           C  
ATOM    634  C   SER A  77      -4.165  22.787  12.428  1.00 59.94           C  
ATOM    635  O   SER A  77      -4.019  23.883  11.879  1.00 58.63           O  
ATOM    636  CB  SER A  77      -2.058  22.036  13.597  1.00 60.15           C  
ATOM    637  OG  SER A  77      -1.430  23.314  13.504  1.00 63.25           O  
ATOM    638  N   GLU A  78      -5.311  22.430  13.014  1.00 60.75           N  
ATOM    639  CA  GLU A  78      -6.492  23.161  12.595  1.00 64.90           C  
ATOM    640  C   GLU A  78      -6.869  24.408  13.369  1.00 67.87           C  
ATOM    641  O   GLU A  78      -7.210  25.427  12.758  1.00 74.38           O  
ATOM    642  CB  GLU A  78      -7.737  22.345  12.346  1.00 65.77           C  
ATOM    643  CG  GLU A  78      -8.622  23.108  11.357  1.00 68.58           C  
ATOM    644  CD  GLU A  78      -7.846  24.082  10.455  1.00 68.76           C  
ATOM    645  OE1 GLU A  78      -6.963  23.603   9.742  1.00 69.09           O  
ATOM    646  OE2 GLU A  78      -8.100  25.313  10.447  1.00 71.64           O  
ATOM    647  N   PRO A  79      -6.822  24.392  14.712  1.00 64.99           N  
ATOM    648  CA  PRO A  79      -6.830  25.659  15.438  1.00 67.38           C  
ATOM    649  C   PRO A  79      -5.363  26.149  15.369  1.00 70.43           C  
ATOM    650  O   PRO A  79      -4.516  25.646  16.113  1.00 66.30           O  
ATOM    651  CB  PRO A  79      -7.438  25.270  16.794  1.00 65.65           C  
ATOM    652  CG  PRO A  79      -7.429  23.726  16.823  1.00 63.31           C  
ATOM    653  CD  PRO A  79      -6.751  23.207  15.568  1.00 61.01           C  
ATOM    654  N   HIS A  80      -5.059  27.028  14.404  1.00 75.84           N  
ATOM    655  CA  HIS A  80      -3.683  27.512  14.205  1.00 82.55           C  
ATOM    656  C   HIS A  80      -3.158  28.325  15.397  1.00 87.30           C  
ATOM    657  O   HIS A  80      -1.952  28.389  15.616  1.00 90.87           O  
ATOM    658  CB  HIS A  80      -3.484  28.235  12.856  1.00 86.43           C  
ATOM    659  CG  HIS A  80      -3.103  27.309  11.733  1.00 88.37           C  
ATOM    660  ND1 HIS A  80      -3.894  27.120  10.615  1.00 90.05           N  
ATOM    661  CD2 HIS A  80      -2.031  26.489  11.579  1.00 88.63           C  
ATOM    662  CE1 HIS A  80      -3.318  26.235   9.817  1.00 90.73           C  
ATOM    663  NE2 HIS A  80      -2.185  25.837  10.377  1.00 89.69           N  
ATOM    664  N   HIS A  81      -4.074  28.908  16.180  1.00 91.32           N  
ATOM    665  CA  HIS A  81      -3.780  29.383  17.539  1.00 92.55           C  
ATOM    666  C   HIS A  81      -4.750  28.779  18.568  1.00 90.55           C  
ATOM    667  O   HIS A  81      -5.855  29.300  18.778  1.00 91.54           O  
ATOM    668  CB  HIS A  81      -3.766  30.917  17.565  1.00 98.25           C  
ATOM    669  CG  HIS A  81      -2.768  31.529  16.624  1.00100.78           C  
ATOM    670  ND1 HIS A  81      -1.438  31.701  16.951  1.00102.66           N  
ATOM    671  CD2 HIS A  81      -2.912  32.023  15.369  1.00102.40           C  
ATOM    672  CE1 HIS A  81      -0.808  32.272  15.940  1.00104.91           C  
ATOM    673  NE2 HIS A  81      -1.679  32.475  14.966  1.00104.62           N  
ATOM    674  N   PRO A  82      -4.369  27.647  19.227  1.00 84.24           N  
ATOM    675  CA  PRO A  82      -5.229  26.976  20.210  1.00 81.19           C  
ATOM    676  C   PRO A  82      -5.541  27.788  21.479  1.00 81.20           C  
ATOM    677  O   PRO A  82      -6.401  27.372  22.228  1.00 79.44           O  
ATOM    678  CB  PRO A  82      -4.440  25.722  20.642  1.00 80.06           C  
ATOM    679  CG  PRO A  82      -3.331  25.556  19.617  1.00 79.99           C  
ATOM    680  CD  PRO A  82      -3.092  26.936  19.039  1.00 82.67           C  
ATOM    681  N   SER A  83      -4.809  28.884  21.717  1.00 81.84           N  
ATOM    682  CA  SER A  83      -5.062  29.795  22.836  1.00 82.98           C  
ATOM    683  C   SER A  83      -6.353  30.603  22.613  1.00 82.28           C  
ATOM    684  O   SER A  83      -6.862  31.230  23.543  1.00 84.94           O  
ATOM    685  CB  SER A  83      -3.835  30.714  23.098  1.00 84.84           C  
ATOM    686  OG  SER A  83      -3.638  31.681  22.077  1.00 84.94           O  
ATOM    687  N   GLY A  84      -6.861  30.579  21.372  1.00 79.50           N  
ATOM    688  CA  GLY A  84      -8.180  31.090  21.027  1.00 79.95           C  
ATOM    689  C   GLY A  84      -9.337  30.264  21.592  1.00 78.16           C  
ATOM    690  O   GLY A  84     -10.478  30.767  21.691  1.00 81.48           O  
ATOM    691  N   GLU A  85      -9.042  29.010  21.969  1.00 73.65           N  
ATOM    692  CA  GLU A  85     -10.023  28.041  22.493  1.00 72.95           C  
ATOM    693  C   GLU A  85     -10.489  28.263  23.929  1.00 75.46           C  
ATOM    694  O   GLU A  85     -11.450  27.631  24.355  1.00 75.45           O  
ATOM    695  CB  GLU A  85      -9.454  26.615  22.441  1.00 69.15           C  
ATOM    696  CG  GLU A  85      -8.990  26.156  21.075  1.00 65.76           C  
ATOM    697  CD  GLU A  85      -8.467  24.736  21.084  1.00 63.16           C  
ATOM    698  OE1 GLU A  85      -8.688  24.005  22.078  1.00 62.56           O  
ATOM    699  OE2 GLU A  85      -7.834  24.355  20.070  1.00 61.61           O  
ATOM    700  N   LEU A  86      -9.762  29.115  24.666  1.00 78.09           N  
ATOM    701  CA  LEU A  86      -9.923  29.325  26.111  1.00 80.63           C  
ATOM    702  C   LEU A  86     -10.469  30.717  26.470  1.00 85.00           C  
ATOM    703  O   LEU A  86     -10.825  30.977  27.625  1.00 88.14           O  
ATOM    704  CB  LEU A  86      -8.577  29.104  26.802  1.00 80.03           C  
ATOM    705  CG  LEU A  86      -7.808  27.912  26.248  1.00 76.13           C  
ATOM    706  CD1 LEU A  86      -6.450  27.822  26.917  1.00 77.39           C  
ATOM    707  CD2 LEU A  86      -8.603  26.633  26.440  1.00 74.47           C  
ATOM    708  N   THR A  87     -10.519  31.606  25.472  1.00 85.80           N  
ATOM    709  CA  THR A  87     -11.155  32.913  25.584  1.00 90.34           C  
ATOM    710  C   THR A  87     -12.684  32.754  25.535  1.00 90.25           C  
ATOM    711  O   THR A  87     -13.200  32.001  24.720  1.00 87.69           O  
ATOM    712  CB  THR A  87     -10.684  33.849  24.433  1.00 92.26           C  
ATOM    713  OG1 THR A  87     -11.133  33.348  23.150  1.00 90.79           O  
ATOM    714  CG2 THR A  87      -9.131  33.991  24.434  1.00 92.00           C  
ATOM    715  N   ASP A  88     -13.403  33.473  26.405  1.00 94.11           N  
ATOM    716  CA  ASP A  88     -14.874  33.492  26.394  1.00 94.95           C  
ATOM    717  C   ASP A  88     -15.308  33.799  24.977  1.00 93.44           C  
ATOM    718  O   ASP A  88     -14.610  34.513  24.261  1.00 92.82           O  
ATOM    719  CB  ASP A  88     -15.446  34.517  27.385  1.00100.36           C  
ATOM    720  CG  ASP A  88     -16.919  34.231  27.779  1.00102.41           C  
ATOM    721  OD1 ASP A  88     -17.458  33.119  27.521  1.00 99.06           O  
ATOM    722  OD2 ASP A  88     -17.532  35.148  28.374  1.00106.86           O  
ATOM    723  N   PHE A  89     -16.447  33.232  24.569  1.00 92.91           N  
ATOM    724  CA  PHE A  89     -16.745  33.091  23.157  1.00 91.31           C  
ATOM    725  C   PHE A  89     -16.663  34.430  22.476  1.00 94.93           C  
ATOM    726  O   PHE A  89     -17.399  35.343  22.814  1.00 98.74           O  
ATOM    727  CB  PHE A  89     -18.091  32.426  22.885  1.00 90.99           C  
ATOM    728  CG  PHE A  89     -18.074  31.563  21.651  1.00 86.49           C  
ATOM    729  CD1 PHE A  89     -17.576  30.260  21.712  1.00 81.47           C  
ATOM    730  CD2 PHE A  89     -18.518  32.061  20.430  1.00 86.83           C  
ATOM    731  CE1 PHE A  89     -17.553  29.456  20.591  1.00 78.37           C  
ATOM    732  CE2 PHE A  89     -18.495  31.268  19.307  1.00 83.79           C  
ATOM    733  CZ  PHE A  89     -18.008  29.964  19.386  1.00 79.85           C  
ATOM    734  N   ARG A  90     -15.734  34.517  21.521  1.00 94.73           N  
ATOM    735  CA  ARG A  90     -15.295  35.755  20.826  1.00 98.50           C  
ATOM    736  C   ARG A  90     -15.677  35.659  19.342  1.00 97.26           C  
ATOM    737  O   ARG A  90     -15.918  34.547  18.865  1.00 94.44           O  
ATOM    738  CB  ARG A  90     -13.782  35.918  21.035  1.00 98.62           C  
ATOM    739  CG  ARG A  90     -13.167  37.095  20.292  1.00102.95           C  
ATOM    740  CD  ARG A  90     -11.708  37.380  20.605  1.00104.37           C  
ATOM    741  NE  ARG A  90     -11.269  38.678  20.092  1.00109.37           N  
ATOM    742  CZ  ARG A  90     -10.032  39.170  20.203  1.00111.91           C  
ATOM    743  NH1 ARG A  90      -9.086  38.473  20.811  1.00109.96           N  
ATOM    744  NH2 ARG A  90      -9.742  40.362  19.707  1.00116.60           N  
ATOM    745  N   ILE A  91     -15.736  36.793  18.646  1.00100.49           N  
ATOM    746  CA  ILE A  91     -15.834  36.835  17.199  1.00101.02           C  
ATOM    747  C   ILE A  91     -14.420  37.159  16.662  1.00101.26           C  
ATOM    748  O   ILE A  91     -13.656  37.805  17.359  1.00104.57           O  
ATOM    749  CB  ILE A  91     -16.817  37.945  16.805  1.00105.94           C  
ATOM    750  CG1 ILE A  91     -18.189  37.744  17.482  1.00107.83           C  
ATOM    751  CG2 ILE A  91     -16.941  38.014  15.299  1.00106.35           C  
ATOM    752  CD1 ILE A  91     -19.160  38.889  17.264  1.00113.84           C  
ATOM    753  N   ARG A  92     -14.055  36.713  15.448  1.00 99.78           N  
ATOM    754  CA  ARG A  92     -12.717  37.020  14.849  1.00 99.41           C  
ATOM    755  C   ARG A  92     -12.808  37.344  13.341  1.00100.08           C  
ATOM    756  O   ARG A  92     -13.767  36.899  12.665  1.00 99.80           O  
ATOM    757  CB  ARG A  92     -11.738  35.882  15.166  1.00 95.65           C  
ATOM    758  CG  ARG A  92     -11.275  35.861  16.619  1.00 96.74           C  
ATOM    759  CD  ARG A  92     -10.183  34.844  16.918  1.00 94.61           C  
ATOM    760  NE  ARG A  92     -10.184  34.426  18.325  1.00 96.11           N  
ATOM    761  CZ  ARG A  92      -9.455  34.960  19.315  1.00 98.58           C  
ATOM    762  NH1 ARG A  92      -8.622  35.963  19.085  1.00101.07           N  
ATOM    763  NH2 ARG A  92      -9.573  34.488  20.547  1.00 98.20           N  
ATOM    764  N   LEU A  93     -11.842  38.128  12.845  1.00101.02           N  
ATOM    765  CA  LEU A  93     -11.755  38.550  11.448  1.00102.89           C  
ATOM    766  C   LEU A  93     -10.550  37.909  10.759  1.00100.38           C  
ATOM    767  O   LEU A  93      -9.513  37.727  11.387  1.00 99.57           O  
ATOM    768  CB  LEU A  93     -11.616  40.064  11.391  1.00108.12           C  
ATOM    769  CG  LEU A  93     -11.407  40.675  10.012  1.00110.77           C  
ATOM    770  CD1 LEU A  93     -12.609  40.414   9.117  1.00111.61           C  
ATOM    771  CD2 LEU A  93     -11.153  42.165  10.163  1.00115.98           C  
ATOM    772  N   GLU A  94     -10.698  37.582   9.467  1.00100.15           N  
ATOM    773  CA  GLU A  94      -9.696  36.856   8.684  1.00 96.22           C  
ATOM    774  C   GLU A  94      -8.965  37.801   7.762  1.00 98.83           C  
ATOM    775  O   GLU A  94      -8.055  38.484   8.196  1.00100.50           O  
ATOM    776  CB  GLU A  94     -10.352  35.765   7.848  1.00 93.94           C  
ATOM    777  CG  GLU A  94      -9.394  34.652   7.431  1.00 91.08           C  
ATOM    778  CD  GLU A  94      -9.646  34.097   6.029  1.00 91.19           C  
ATOM    779  OE1 GLU A  94     -10.073  34.882   5.147  1.00 94.14           O  
ATOM    780  OE2 GLU A  94      -9.382  32.879   5.803  1.00 88.37           O  
TER     781      GLU A  94                                                      
HETATM  782  C1  GOL A 201       2.215   2.130  12.192  1.00 46.47           C  
HETATM  783  O1  GOL A 201       3.014   2.913  13.073  1.00 50.73           O  
HETATM  784  C2  GOL A 201       2.506   2.483  10.762  1.00 46.01           C  
HETATM  785  O2  GOL A 201       1.494   1.956   9.920  1.00 55.00           O  
HETATM  786  C3  GOL A 201       2.583   3.965  10.525  1.00 53.22           C  
HETATM  787  O3  GOL A 201       3.086   4.251   9.223  1.00 61.14           O  
HETATM  788  C1  EDO A 202      -6.828  29.567  13.763  1.00 66.39           C  
HETATM  789  O1  EDO A 202      -6.250  30.513  14.643  1.00 65.70           O  
HETATM  790  C2  EDO A 202      -7.787  30.124  12.784  1.00 63.89           C  
HETATM  791  O2  EDO A 202      -7.966  29.272  11.666  1.00 61.30           O  
HETATM  792  C1  EDO A 203      -8.862  17.770   5.308  1.00 77.84           C  
HETATM  793  O1  EDO A 203      -7.891  18.044   4.315  1.00 73.95           O  
HETATM  794  C2  EDO A 203      -9.460  18.994   5.907  1.00 80.24           C  
HETATM  795  O2  EDO A 203      -8.506  19.969   6.310  1.00 74.35           O  
HETATM  796  S   SO4 A 204      -0.889  29.702  20.515  1.00119.42           S  
HETATM  797  O1  SO4 A 204      -0.315  30.039  19.237  1.00119.66           O  
HETATM  798  O2  SO4 A 204      -2.309  29.920  20.474  1.00125.49           O  
HETATM  799  O3  SO4 A 204      -0.618  28.320  20.819  1.00119.63           O  
HETATM  800  O4  SO4 A 204      -0.317  30.534  21.536  1.00121.85           O  
HETATM  801  S   SO4 A 205       1.364  24.531  30.069  1.00154.80           S  
HETATM  802  O1  SO4 A 205       0.976  25.539  29.118  1.00153.11           O  
HETATM  803  O2  SO4 A 205       1.654  23.302  29.381  1.00153.48           O  
HETATM  804  O3  SO4 A 205       0.289  24.314  30.997  1.00157.05           O  
HETATM  805  O4  SO4 A 205       2.536  24.969  30.781  1.00150.43           O  
HETATM  806  O   HOH A 301       9.941  16.722  27.963  1.00 67.62           O  
HETATM  807  O   HOH A 302      11.995  11.778  17.466  1.00 59.56           O  
HETATM  808  O   HOH A 303     -10.595  22.064  27.274  1.00 81.48           O  
HETATM  809  O   HOH A 304      19.278   6.642  12.475  1.00 72.54           O  
HETATM  810  O   HOH A 305      -9.506  17.659   1.702  1.00 67.16           O  
HETATM  811  O   HOH A 306      -9.653  21.588  31.751  1.00 51.73           O  
HETATM  812  O   HOH A 307       0.998   0.739  15.304  1.00 64.02           O  
HETATM  813  O   HOH A 308      12.067   6.877  15.995  1.00 65.46           O  
CONECT   28  384                                                                
CONECT  384   28                                                                
CONECT  782  783  784                                                           
CONECT  783  782                                                                
CONECT  784  782  785  786                                                      
CONECT  785  784                                                                
CONECT  786  784  787                                                           
CONECT  787  786                                                                
CONECT  788  789  790                                                           
CONECT  789  788                                                                
CONECT  790  788  791                                                           
CONECT  791  790                                                                
CONECT  792  793  794                                                           
CONECT  793  792                                                                
CONECT  794  792  795                                                           
CONECT  795  794                                                                
CONECT  796  797  798  799  800                                                 
CONECT  797  796                                                                
CONECT  798  796                                                                
CONECT  799  796                                                                
CONECT  800  796                                                                
CONECT  801  802  803  804  805                                                 
CONECT  802  801                                                                
CONECT  803  801                                                                
CONECT  804  801                                                                
CONECT  805  801                                                                
MASTER      302    0    5    3    4    0    0    6  764    1   26    8          
END                                                                             
