GenomeNet

Database: PDB
Entry: 6K4L
LinkDB: 6K4L
Original site: 6K4L 
HEADER    TRANSFERASE/CELL CYCLE                  24-MAY-19   6K4L              
TITLE     CRYSTAL STRUCTURE OF SE-LABELLED SIDJ COMPLEX WITH CAM AT 2.95 A      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SIDJ;                                                      
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: CALMODULIN-1;                                              
COMPND   7 CHAIN: C, D;                                                         
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPHILA STR.  
SOURCE   3 PHILADELPHIA 1;                                                      
SOURCE   4 ORGANISM_TAXID: 272624;                                              
SOURCE   5 GENE: LPG2155;                                                       
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: CALM1, CALM, CAM, CAM1;                                        
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    EFFECT FACTOR, TOXIN, TRANSFERASE-CELL CYCLE COMPLEX                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.Y.OUYANG                                                            
REVDAT   3   28-AUG-19 6K4L    1       JRNL                                     
REVDAT   2   31-JUL-19 6K4L    1       JRNL                                     
REVDAT   1   24-JUL-19 6K4L    0                                                
JRNL        AUTH   N.GAN,X.ZHEN,Y.LIU,X.XU,C.HE,J.QIU,Y.LIU,G.M.FUJIMOTO,       
JRNL        AUTH 2 E.S.NAKAYASU,B.ZHOU,L.ZHAO,K.PUVAR,C.DAS,S.OUYANG,Z.Q.LUO    
JRNL        TITL   REGULATION OF PHOSPHORIBOSYL UBIQUITINATION BY A             
JRNL        TITL 2 CALMODULIN-DEPENDENT GLUTAMYLASE.                            
JRNL        REF    NATURE                        V. 572   387 2019              
JRNL        REFN                   ESSN 1476-4687                               
JRNL        PMID   31330531                                                     
JRNL        DOI    10.1038/S41586-019-1439-1                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.95 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.11.1_2575: ???)                            
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MLHL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.95                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 68.32                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 53446                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.244                           
REMARK   3   R VALUE            (WORKING SET) : 0.243                           
REMARK   3   FREE R VALUE                     : 0.269                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.820                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2575                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 68.3343 -  7.7258    0.99     2867   131  0.2211 0.2163        
REMARK   3     2  7.7258 -  6.1335    1.00     2860   132  0.2472 0.2521        
REMARK   3     3  6.1335 -  5.3585    1.00     2887   126  0.2376 0.2419        
REMARK   3     4  5.3585 -  4.8687    1.00     2825   132  0.2144 0.2168        
REMARK   3     5  4.8687 -  4.5198    1.00     2836   159  0.1996 0.2248        
REMARK   3     6  4.5198 -  4.2534    1.00     2791   158  0.2003 0.2705        
REMARK   3     7  4.2534 -  4.0404    1.00     2806   145  0.2169 0.2592        
REMARK   3     8  4.0404 -  3.8646    1.00     2811   169  0.2215 0.2820        
REMARK   3     9  3.8646 -  3.7158    1.00     2788   172  0.2384 0.2559        
REMARK   3    10  3.7158 -  3.5876    1.00     2808   155  0.2454 0.2722        
REMARK   3    11  3.5876 -  3.4754    1.00     2835   135  0.2742 0.3113        
REMARK   3    12  3.4754 -  3.3761    1.00     2788   153  0.2822 0.3388        
REMARK   3    13  3.3761 -  3.2872    1.00     2849   136  0.2894 0.3092        
REMARK   3    14  3.2872 -  3.2070    1.00     2818   122  0.2966 0.3284        
REMARK   3    15  3.2070 -  3.1341    1.00     2867   118  0.3102 0.3529        
REMARK   3    16  3.1341 -  3.0674    1.00     2804   149  0.3156 0.3453        
REMARK   3    17  3.0674 -  3.0060    1.00     2823   138  0.3261 0.3552        
REMARK   3    18  3.0060 -  2.9493    1.00     2808   145  0.3583 0.3942        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.450            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 29.740           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.004          12866                                  
REMARK   3   ANGLE     :  0.872          17496                                  
REMARK   3   CHIRALITY :  0.049           2021                                  
REMARK   3   PLANARITY :  0.005           2250                                  
REMARK   3   DIHEDRAL  :  5.430           7695                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A):  34.0432  50.9321  20.8439              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0751 T22:   0.1083                                     
REMARK   3      T33:   0.1315 T12:   0.0019                                     
REMARK   3      T13:  -0.0191 T23:   0.0183                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1137 L22:   0.2047                                     
REMARK   3      L33:   0.5843 L12:  -0.0039                                     
REMARK   3      L13:  -0.1390 L23:  -0.1455                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0102 S12:  -0.0455 S13:  -0.0385                       
REMARK   3      S21:  -0.0223 S22:  -0.0466 S23:  -0.0405                       
REMARK   3      S31:  -0.0720 S32:   0.0561 S33:  -0.0047                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6K4L COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 31-MAY-19.                  
REMARK 100 THE DEPOSITION ID IS D_1300012267.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 01-MAY-18                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.0-8.0                            
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97981                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 53504                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.949                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 133.000                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 6.800                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 2.0000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.95                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.11                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 60.08                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.74                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG 3350, 0.2M NAI, PH 7.5, VAPOR    
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 299K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,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       79.62300            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3160 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 35890 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -53.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C                                  
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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2590 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 34640 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -34.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, D                                  
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     MSE A     1                                                      
REMARK 465     PHE A     2                                                      
REMARK 465     GLY A     3                                                      
REMARK 465     PHE A     4                                                      
REMARK 465     ILE A     5                                                      
REMARK 465     LYS A     6                                                      
REMARK 465     LYS A     7                                                      
REMARK 465     VAL A     8                                                      
REMARK 465     LEU A     9                                                      
REMARK 465     ASP A    10                                                      
REMARK 465     PHE A    11                                                      
REMARK 465     PHE A    12                                                      
REMARK 465     GLY A    13                                                      
REMARK 465     VAL A    14                                                      
REMARK 465     ASP A    15                                                      
REMARK 465     GLN A    16                                                      
REMARK 465     SER A    17                                                      
REMARK 465     GLU A    18                                                      
REMARK 465     ASP A    19                                                      
REMARK 465     ASN A    20                                                      
REMARK 465     PRO A    21                                                      
REMARK 465     SER A    22                                                      
REMARK 465     GLU A    23                                                      
REMARK 465     THR A    24                                                      
REMARK 465     ALA A    25                                                      
REMARK 465     VAL A    26                                                      
REMARK 465     GLU A    27                                                      
REMARK 465     THR A    28                                                      
REMARK 465     THR A    29                                                      
REMARK 465     ASP A    30                                                      
REMARK 465     VAL A    31                                                      
REMARK 465     SER A    32                                                      
REMARK 465     THR A    33                                                      
REMARK 465     LYS A    34                                                      
REMARK 465     ILE A    35                                                      
REMARK 465     LYS A    36                                                      
REMARK 465     THR A    37                                                      
REMARK 465     THR A    38                                                      
REMARK 465     ASP A    39                                                      
REMARK 465     THR A    40                                                      
REMARK 465     THR A    41                                                      
REMARK 465     GLN A    42                                                      
REMARK 465     GLU A    43                                                      
REMARK 465     GLU A    44                                                      
REMARK 465     SER A    45                                                      
REMARK 465     SER A    46                                                      
REMARK 465     VAL A    47                                                      
REMARK 465     LYS A    48                                                      
REMARK 465     THR A    49                                                      
REMARK 465     LYS A    50                                                      
REMARK 465     THR A    51                                                      
REMARK 465     VAL A    52                                                      
REMARK 465     VAL A    53                                                      
REMARK 465     PRO A    54                                                      
REMARK 465     THR A    55                                                      
REMARK 465     GLN A    56                                                      
REMARK 465     PRO A    57                                                      
REMARK 465     GLY A    58                                                      
REMARK 465     GLY A    59                                                      
REMARK 465     SER A    60                                                      
REMARK 465     VAL A    61                                                      
REMARK 465     LYS A    62                                                      
REMARK 465     PRO A    63                                                      
REMARK 465     GLU A    64                                                      
REMARK 465     THR A    65                                                      
REMARK 465     ILE A    66                                                      
REMARK 465     ALA A    67                                                      
REMARK 465     PRO A    68                                                      
REMARK 465     ASP A    69                                                      
REMARK 465     GLN A    70                                                      
REMARK 465     GLN A    71                                                      
REMARK 465     LYS A    72                                                      
REMARK 465     LYS A    73                                                      
REMARK 465     HIS A    74                                                      
REMARK 465     GLN A    75                                                      
REMARK 465     ILE A    76                                                      
REMARK 465     LYS A    77                                                      
REMARK 465     THR A    78                                                      
REMARK 465     GLU A    79                                                      
REMARK 465     THR A    80                                                      
REMARK 465     THR A    81                                                      
REMARK 465     THR A    82                                                      
REMARK 465     SER A    83                                                      
REMARK 465     THR A    84                                                      
REMARK 465     THR A    85                                                      
REMARK 465     LYS A    86                                                      
REMARK 465     GLN A    87                                                      
REMARK 465     LYS A    88                                                      
REMARK 465     GLY A    89                                                      
REMARK 465     PRO A    90                                                      
REMARK 465     LYS A    91                                                      
REMARK 465     VAL A    92                                                      
REMARK 465     THR A    93                                                      
REMARK 465     LEU A    94                                                      
REMARK 465     MSE A    95                                                      
REMARK 465     ASP A    96                                                      
REMARK 465     GLY A    97                                                      
REMARK 465     HIS A    98                                                      
REMARK 465     ASP A   424                                                      
REMARK 465     PHE A   425                                                      
REMARK 465     GLU A   426                                                      
REMARK 465     ARG A   427                                                      
REMARK 465     PHE A   428                                                      
REMARK 465     LYS A   429                                                      
REMARK 465     THR A   430                                                      
REMARK 465     LEU A   431                                                      
REMARK 465     HIS A   492                                                      
REMARK 465     THR A   493                                                      
REMARK 465     HIS A   494                                                      
REMARK 465     PHE A   495                                                      
REMARK 465     GLY A   496                                                      
REMARK 465     GLU A   497                                                      
REMARK 465     ASP A   498                                                      
REMARK 465     GLU A   499                                                      
REMARK 465     ARG A   500                                                      
REMARK 465     GLU A   501                                                      
REMARK 465     ASP A   502                                                      
REMARK 465     MSE A   626                                                      
REMARK 465     GLU A   847                                                      
REMARK 465     ALA A   848                                                      
REMARK 465     ARG A   849                                                      
REMARK 465     LYS A   850                                                      
REMARK 465     ASN A   851                                                      
REMARK 465     LEU A   852                                                      
REMARK 465     SER A   853                                                      
REMARK 465     GLU A   854                                                      
REMARK 465     LYS A   855                                                      
REMARK 465     SER A   856                                                      
REMARK 465     ASP A   857                                                      
REMARK 465     ILE A   858                                                      
REMARK 465     ASP A   859                                                      
REMARK 465     SER A   860                                                      
REMARK 465     GLU A   861                                                      
REMARK 465     LYS A   862                                                      
REMARK 465     PRO A   863                                                      
REMARK 465     GLU A   864                                                      
REMARK 465     SER A   865                                                      
REMARK 465     GLU A   866                                                      
REMARK 465     ARG A   867                                                      
REMARK 465     THR A   868                                                      
REMARK 465     THR A   869                                                      
REMARK 465     ASP A   870                                                      
REMARK 465     LYS A   871                                                      
REMARK 465     ARG A   872                                                      
REMARK 465     LEU A   873                                                      
REMARK 465     MSE B     1                                                      
REMARK 465     PHE B     2                                                      
REMARK 465     GLY B     3                                                      
REMARK 465     PHE B     4                                                      
REMARK 465     ILE B     5                                                      
REMARK 465     LYS B     6                                                      
REMARK 465     LYS B     7                                                      
REMARK 465     VAL B     8                                                      
REMARK 465     LEU B     9                                                      
REMARK 465     ASP B    10                                                      
REMARK 465     PHE B    11                                                      
REMARK 465     PHE B    12                                                      
REMARK 465     GLY B    13                                                      
REMARK 465     VAL B    14                                                      
REMARK 465     ASP B    15                                                      
REMARK 465     GLN B    16                                                      
REMARK 465     SER B    17                                                      
REMARK 465     GLU B    18                                                      
REMARK 465     ASP B    19                                                      
REMARK 465     ASN B    20                                                      
REMARK 465     PRO B    21                                                      
REMARK 465     SER B    22                                                      
REMARK 465     GLU B    23                                                      
REMARK 465     THR B    24                                                      
REMARK 465     ALA B    25                                                      
REMARK 465     VAL B    26                                                      
REMARK 465     GLU B    27                                                      
REMARK 465     THR B    28                                                      
REMARK 465     THR B    29                                                      
REMARK 465     ASP B    30                                                      
REMARK 465     VAL B    31                                                      
REMARK 465     SER B    32                                                      
REMARK 465     THR B    33                                                      
REMARK 465     LYS B    34                                                      
REMARK 465     ILE B    35                                                      
REMARK 465     LYS B    36                                                      
REMARK 465     THR B    37                                                      
REMARK 465     THR B    38                                                      
REMARK 465     ASP B    39                                                      
REMARK 465     THR B    40                                                      
REMARK 465     THR B    41                                                      
REMARK 465     GLN B    42                                                      
REMARK 465     GLU B    43                                                      
REMARK 465     GLU B    44                                                      
REMARK 465     SER B    45                                                      
REMARK 465     SER B    46                                                      
REMARK 465     VAL B    47                                                      
REMARK 465     LYS B    48                                                      
REMARK 465     THR B    49                                                      
REMARK 465     LYS B    50                                                      
REMARK 465     THR B    51                                                      
REMARK 465     VAL B    52                                                      
REMARK 465     VAL B    53                                                      
REMARK 465     PRO B    54                                                      
REMARK 465     THR B    55                                                      
REMARK 465     GLN B    56                                                      
REMARK 465     PRO B    57                                                      
REMARK 465     GLY B    58                                                      
REMARK 465     GLY B    59                                                      
REMARK 465     SER B    60                                                      
REMARK 465     VAL B    61                                                      
REMARK 465     LYS B    62                                                      
REMARK 465     PRO B    63                                                      
REMARK 465     GLU B    64                                                      
REMARK 465     THR B    65                                                      
REMARK 465     ILE B    66                                                      
REMARK 465     ALA B    67                                                      
REMARK 465     PRO B    68                                                      
REMARK 465     ASP B    69                                                      
REMARK 465     GLN B    70                                                      
REMARK 465     GLN B    71                                                      
REMARK 465     LYS B    72                                                      
REMARK 465     LYS B    73                                                      
REMARK 465     HIS B    74                                                      
REMARK 465     GLN B    75                                                      
REMARK 465     ILE B    76                                                      
REMARK 465     LYS B    77                                                      
REMARK 465     THR B    78                                                      
REMARK 465     GLU B    79                                                      
REMARK 465     THR B    80                                                      
REMARK 465     THR B    81                                                      
REMARK 465     THR B    82                                                      
REMARK 465     SER B    83                                                      
REMARK 465     THR B    84                                                      
REMARK 465     THR B    85                                                      
REMARK 465     LYS B    86                                                      
REMARK 465     GLN B    87                                                      
REMARK 465     LYS B    88                                                      
REMARK 465     GLY B    89                                                      
REMARK 465     PRO B    90                                                      
REMARK 465     LYS B    91                                                      
REMARK 465     VAL B    92                                                      
REMARK 465     THR B    93                                                      
REMARK 465     LEU B    94                                                      
REMARK 465     MSE B    95                                                      
REMARK 465     ASP B    96                                                      
REMARK 465     GLY B    97                                                      
REMARK 465     HIS B    98                                                      
REMARK 465     VAL B    99                                                      
REMARK 465     HIS B   492                                                      
REMARK 465     THR B   493                                                      
REMARK 465     HIS B   494                                                      
REMARK 465     PHE B   495                                                      
REMARK 465     GLY B   496                                                      
REMARK 465     GLU B   497                                                      
REMARK 465     ASP B   498                                                      
REMARK 465     GLU B   499                                                      
REMARK 465     ARG B   500                                                      
REMARK 465     GLU B   501                                                      
REMARK 465     ASP B   502                                                      
REMARK 465     GLU B   847                                                      
REMARK 465     ALA B   848                                                      
REMARK 465     ARG B   849                                                      
REMARK 465     LYS B   850                                                      
REMARK 465     ASN B   851                                                      
REMARK 465     LEU B   852                                                      
REMARK 465     SER B   853                                                      
REMARK 465     GLU B   854                                                      
REMARK 465     LYS B   855                                                      
REMARK 465     SER B   856                                                      
REMARK 465     ASP B   857                                                      
REMARK 465     ILE B   858                                                      
REMARK 465     ASP B   859                                                      
REMARK 465     SER B   860                                                      
REMARK 465     GLU B   861                                                      
REMARK 465     LYS B   862                                                      
REMARK 465     PRO B   863                                                      
REMARK 465     GLU B   864                                                      
REMARK 465     SER B   865                                                      
REMARK 465     GLU B   866                                                      
REMARK 465     ARG B   867                                                      
REMARK 465     THR B   868                                                      
REMARK 465     THR B   869                                                      
REMARK 465     ASP B   870                                                      
REMARK 465     LYS B   871                                                      
REMARK 465     ARG B   872                                                      
REMARK 465     LEU B   873                                                      
REMARK 465     MET C     1                                                      
REMARK 465     ALA C     2                                                      
REMARK 465     ASP C     3                                                      
REMARK 465     GLU C   115                                                      
REMARK 465     LYS C   116                                                      
REMARK 465     LEU C   117                                                      
REMARK 465     THR C   118                                                      
REMARK 465     ASP C   119                                                      
REMARK 465     GLU C   120                                                      
REMARK 465     GLU C   121                                                      
REMARK 465     VAL C   122                                                      
REMARK 465     ASP C   123                                                      
REMARK 465     GLU C   124                                                      
REMARK 465     MET C   125                                                      
REMARK 465     ILE C   126                                                      
REMARK 465     ARG C   127                                                      
REMARK 465     GLU C   128                                                      
REMARK 465     ALA C   129                                                      
REMARK 465     ASP C   130                                                      
REMARK 465     ILE C   131                                                      
REMARK 465     ASP C   132                                                      
REMARK 465     GLY C   133                                                      
REMARK 465     ASP C   134                                                      
REMARK 465     GLY C   135                                                      
REMARK 465     GLN C   136                                                      
REMARK 465     VAL C   137                                                      
REMARK 465     ASN C   138                                                      
REMARK 465     TYR C   139                                                      
REMARK 465     GLU C   140                                                      
REMARK 465     GLU C   141                                                      
REMARK 465     PHE C   142                                                      
REMARK 465     VAL C   143                                                      
REMARK 465     GLN C   144                                                      
REMARK 465     MET C   145                                                      
REMARK 465     MET C   146                                                      
REMARK 465     THR C   147                                                      
REMARK 465     ALA C   148                                                      
REMARK 465     LYS C   149                                                      
REMARK 465     MET D     1                                                      
REMARK 465     ALA D     2                                                      
REMARK 465     ASP D     3                                                      
REMARK 465     ILE D    53                                                      
REMARK 465     ASN D    54                                                      
REMARK 465     ARG D    87                                                      
REMARK 465     GLU D    88                                                      
REMARK 465     ALA D    89                                                      
REMARK 465     PHE D    90                                                      
REMARK 465     ARG D    91                                                      
REMARK 465     VAL D    92                                                      
REMARK 465     PHE D    93                                                      
REMARK 465     ASP D    94                                                      
REMARK 465     LYS D    95                                                      
REMARK 465     ASP D    96                                                      
REMARK 465     GLY D    97                                                      
REMARK 465     ASN D    98                                                      
REMARK 465     GLY D    99                                                      
REMARK 465     TYR D   100                                                      
REMARK 465     ILE D   101                                                      
REMARK 465     SER D   102                                                      
REMARK 465     ALA D   103                                                      
REMARK 465     ALA D   104                                                      
REMARK 465     GLU D   105                                                      
REMARK 465     LEU D   106                                                      
REMARK 465     ARG D   107                                                      
REMARK 465     HIS D   108                                                      
REMARK 465     VAL D   109                                                      
REMARK 465     MET D   110                                                      
REMARK 465     THR D   111                                                      
REMARK 465     ASN D   112                                                      
REMARK 465     LEU D   113                                                      
REMARK 465     GLY D   114                                                      
REMARK 465     GLU D   115                                                      
REMARK 465     LYS D   116                                                      
REMARK 465     LEU D   117                                                      
REMARK 465     THR D   118                                                      
REMARK 465     ASP D   119                                                      
REMARK 465     GLU D   120                                                      
REMARK 465     GLU D   121                                                      
REMARK 465     VAL D   122                                                      
REMARK 465     ASP D   123                                                      
REMARK 465     GLU D   124                                                      
REMARK 465     MET D   125                                                      
REMARK 465     ILE D   126                                                      
REMARK 465     ARG D   127                                                      
REMARK 465     GLU D   128                                                      
REMARK 465     ALA D   129                                                      
REMARK 465     ASP D   130                                                      
REMARK 465     ILE D   131                                                      
REMARK 465     ASP D   132                                                      
REMARK 465     GLY D   133                                                      
REMARK 465     ASP D   134                                                      
REMARK 465     GLY D   135                                                      
REMARK 465     GLN D   136                                                      
REMARK 465     VAL D   137                                                      
REMARK 465     ASN D   138                                                      
REMARK 465     TYR D   139                                                      
REMARK 465     GLU D   140                                                      
REMARK 465     GLU D   141                                                      
REMARK 465     PHE D   142                                                      
REMARK 465     VAL D   143                                                      
REMARK 465     GLN D   144                                                      
REMARK 465     MET D   145                                                      
REMARK 465     MET D   146                                                      
REMARK 465     THR D   147                                                      
REMARK 465     ALA D   148                                                      
REMARK 465     LYS D   149                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS A 100    CG   CD   CE   NZ                                   
REMARK 470     ARG A 106    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 127    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 159    CG   CD   CE   NZ                                   
REMARK 470     LYS A 211    CG   CD   CE   NZ                                   
REMARK 470     GLU A 215    CG   CD   OE1  OE2                                  
REMARK 470     GLN A 259    CG   CD   OE1  NE2                                  
REMARK 470     GLU A 294    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 295    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 323    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 328    CG   CD   CE   NZ                                   
REMARK 470     GLU A 329    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 330    CG   CD   CE   NZ                                   
REMARK 470     ASP A 334    CG   OD1  OD2                                       
REMARK 470     ASN A 361    CG   OD1  ND2                                       
REMARK 470     LYS A 370    CG   CD   CE   NZ                                   
REMARK 470     LYS A 371    CG   CD   CE   NZ                                   
REMARK 470     GLU A 373    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 375    CG   CD   CE   NZ                                   
REMARK 470     GLU A 380    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 393    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLN A 403    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 411    CG   CD   CE   NZ                                   
REMARK 470     LYS A 412    CG   CD   CE   NZ                                   
REMARK 470     GLU A 414    CG   CD   OE1  OE2                                  
REMARK 470     LEU A 416    CG   CD1  CD2                                       
REMARK 470     GLU A 417    CG   CD   OE1  OE2                                  
REMARK 470     ILE A 418    CG1  CG2  CD1                                       
REMARK 470     ARG A 420    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     SER A 422    OG                                                  
REMARK 470     LEU A 423    CG   CD1  CD2                                       
REMARK 470     ILE A 432    CG1  CG2  CD1                                       
REMARK 470     ASP A 433    CG   OD1  OD2                                       
REMARK 470     SER A 435    OG                                                  
REMARK 470     LYS A 436    CG   CD   CE   NZ                                   
REMARK 470     LYS A 456    CG   CD   CE   NZ                                   
REMARK 470     ASP A 489    CG   OD1  OD2                                       
REMARK 470     PHE A 491    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     LYS A 503    CG   CD   CE   NZ                                   
REMARK 470     LEU A 516    CG   CD1  CD2                                       
REMARK 470     GLN A 517    CG   CD   OE1  NE2                                  
REMARK 470     PHE A 518    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLN A 519    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 528    CG   CD   CE   NZ                                   
REMARK 470     LEU A 543    CG   CD1  CD2                                       
REMARK 470     ASP A 545    CG   OD1  OD2                                       
REMARK 470     ASP A 557    CG   OD1  OD2                                       
REMARK 470     HIS A 561    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS A 578    CG   CD   CE   NZ                                   
REMARK 470     ARG A 623    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP A 624    CG   OD1  OD2                                       
REMARK 470     ASP A 627    CG   OD1  OD2                                       
REMARK 470     LYS A 628    CG   CD   CE   NZ                                   
REMARK 470     LYS A 630    CG   CD   CE   NZ                                   
REMARK 470     LYS A 631    CG   CD   CE   NZ                                   
REMARK 470     GLU A 632    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 688    CG   CD   CE   NZ                                   
REMARK 470     GLU A 691    CG   CD   OE1  OE2                                  
REMARK 470     GLN A 695    CG   CD   OE1  NE2                                  
REMARK 470     SER A 703    OG                                                  
REMARK 470     GLU A 707    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 709    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 713    CG   CD   CE   NZ                                   
REMARK 470     LYS A 760    CG   CD   CE   NZ                                   
REMARK 470     LYS A 778    CG   CD   CE   NZ                                   
REMARK 470     ASN A 782    CG   OD1  ND2                                       
REMARK 470     ASP A 826    CG   OD1  OD2                                       
REMARK 470     ARG A 843    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     PHE A 844    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     TRP A 845    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP A 845    CZ3  CH2                                            
REMARK 470     ARG A 846    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B 100    CG   CD   CE   NZ                                   
REMARK 470     ARG B 106    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG B 107    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG B 127    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B 159    CG   CD   CE   NZ                                   
REMARK 470     LYS B 205    CG   CD   CE   NZ                                   
REMARK 470     LYS B 211    CG   CD   CE   NZ                                   
REMARK 470     GLU B 215    CG   CD   OE1  OE2                                  
REMARK 470     GLN B 259    CG   CD   OE1  NE2                                  
REMARK 470     PHE B 292    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLU B 294    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 328    CG   CD   CE   NZ                                   
REMARK 470     GLU B 329    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 330    CG   CD   CE   NZ                                   
REMARK 470     ASP B 344    CG   OD1  OD2                                       
REMARK 470     ARG B 345    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLN B 360    CG   CD   OE1  NE2                                  
REMARK 470     ASN B 361    CG   OD1  ND2                                       
REMARK 470     LYS B 370    CG   CD   CE   NZ                                   
REMARK 470     LYS B 371    CG   CD   CE   NZ                                   
REMARK 470     LYS B 375    CG   CD   CE   NZ                                   
REMARK 470     ARG B 393    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLN B 403    CG   CD   OE1  NE2                                  
REMARK 470     LYS B 411    CG   CD   CE   NZ                                   
REMARK 470     LYS B 412    CG   CD   CE   NZ                                   
REMARK 470     GLU B 414    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 417    CG   CD   OE1  OE2                                  
REMARK 470     ARG B 420    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LEU B 423    CG   CD1  CD2                                       
REMARK 470     ASP B 424    CG   OD1  OD2                                       
REMARK 470     PHE B 425    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLU B 426    CG   CD   OE1  OE2                                  
REMARK 470     PHE B 428    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     LYS B 429    CG   CD   CE   NZ                                   
REMARK 470     LEU B 431    CG   CD1  CD2                                       
REMARK 470     SER B 435    OG                                                  
REMARK 470     LYS B 436    CG   CD   CE   NZ                                   
REMARK 470     ASP B 437    CG   OD1  OD2                                       
REMARK 470     LEU B 438    CG   CD1  CD2                                       
REMARK 470     GLN B 447    CG   CD   OE1  NE2                                  
REMARK 470     PHE B 491    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     LYS B 503    CG   CD   CE   NZ                                   
REMARK 470     LEU B 516    CG   CD1  CD2                                       
REMARK 470     GLN B 517    CG   CD   OE1  NE2                                  
REMARK 470     PHE B 518    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLN B 519    CG   CD   OE1  NE2                                  
REMARK 470     LEU B 520    CG   CD1  CD2                                       
REMARK 470     ASP B 545    CG   OD1  OD2                                       
REMARK 470     ASP B 557    CG   OD1  OD2                                       
REMARK 470     ASP B 624    CG   OD1  OD2                                       
REMARK 470     MSE B 625    CG  SE    CE                                        
REMARK 470     ASP B 627    CG   OD1  OD2                                       
REMARK 470     LYS B 628    CG   CD   CE   NZ                                   
REMARK 470     LYS B 630    CG   CD   CE   NZ                                   
REMARK 470     GLU B 632    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 691    CG   CD   OE1  OE2                                  
REMARK 470     GLN B 695    CG   CD   OE1  NE2                                  
REMARK 470     GLU B 707    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 709    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 713    CG   CD   CE   NZ                                   
REMARK 470     LYS B 778    CG   CD   CE   NZ                                   
REMARK 470     ASN B 782    CG   OD1  ND2                                       
REMARK 470     GLN B 842    CG   CD   OE1  NE2                                  
REMARK 470     ARG B 843    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     PHE B 844    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     TRP B 845    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP B 845    CZ3  CH2                                            
REMARK 470     ARG B 846    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLN C   4    CG   CD   OE1  NE2                                  
REMARK 470     GLU C   7    CG   CD   OE1  OE2                                  
REMARK 470     GLU C   8    CG   CD   OE1  OE2                                  
REMARK 470     ASP C  25    CG   OD1  OD2                                       
REMARK 470     LYS C  31    CG   CD   CE   NZ                                   
REMARK 470     THR C  45    OG1  CG2                                            
REMARK 470     GLU C  46    CG   CD   OE1  OE2                                  
REMARK 470     GLU C  48    CG   CD   OE1  OE2                                  
REMARK 470     LEU C  49    CG   CD1  CD2                                       
REMARK 470     GLN C  50    CG   CD   OE1  NE2                                  
REMARK 470     ASP C  51    CG   OD1  OD2                                       
REMARK 470     MET C  52    CG   SD   CE                                        
REMARK 470     ILE C  53    CG1  CG2  CD1                                       
REMARK 470     ASN C  54    CG   OD1  ND2                                       
REMARK 470     GLU C  55    CG   CD   OE1  OE2                                  
REMARK 470     GLU C  68    CG   CD   OE1  OE2                                  
REMARK 470     PHE C  69    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     THR C  71    OG1  CG2                                            
REMARK 470     MET C  72    CG   SD   CE                                        
REMARK 470     MET C  73    CG   SD   CE                                        
REMARK 470     ARG C  75    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS C  76    CG   CD   CE   NZ                                   
REMARK 470     LYS C  78    CG   CD   CE   NZ                                   
REMARK 470     ASP C  79    CG   OD1  OD2                                       
REMARK 470     THR C  80    OG1  CG2                                            
REMARK 470     ASP C  81    CG   OD1  OD2                                       
REMARK 470     SER C  82    OG                                                  
REMARK 470     GLU C  83    CG   CD   OE1  OE2                                  
REMARK 470     GLU C  84    CG   CD   OE1  OE2                                  
REMARK 470     ARG C  87    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C  88    CG   CD   OE1  OE2                                  
REMARK 470     PHE C  90    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     ARG C  91    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     VAL C  92    CG1  CG2                                            
REMARK 470     PHE C  93    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     ASP C  94    CG   OD1  OD2                                       
REMARK 470     LYS C  95    CG   CD   CE   NZ                                   
REMARK 470     ASP C  96    CG   OD1  OD2                                       
REMARK 470     ASN C  98    CG   OD1  ND2                                       
REMARK 470     ILE C 101    CG1  CG2  CD1                                       
REMARK 470     GLU C 105    CG   CD   OE1  OE2                                  
REMARK 470     ARG C 107    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     HIS C 108    CG   ND1  CD2  CE1  NE2                             
REMARK 470     VAL C 109    CG1  CG2                                            
REMARK 470     MET C 110    CG   SD   CE                                        
REMARK 470     THR C 111    OG1  CG2                                            
REMARK 470     ASN C 112    CG   OD1  ND2                                       
REMARK 470     LEU C 113    CG   CD1  CD2                                       
REMARK 470     GLN D   4    CG   CD   OE1  NE2                                  
REMARK 470     GLU D   7    CG   CD   OE1  OE2                                  
REMARK 470     GLU D   8    CG   CD   OE1  OE2                                  
REMARK 470     GLN D   9    CG   CD   OE1  NE2                                  
REMARK 470     ILE D  28    CG1  CG2  CD1                                       
REMARK 470     LYS D  31    CG   CD   CE   NZ                                   
REMARK 470     LEU D  33    CG   CD1  CD2                                       
REMARK 470     GLU D  46    CG   CD   OE1  OE2                                  
REMARK 470     GLU D  48    CG   CD   OE1  OE2                                  
REMARK 470     LEU D  49    CG   CD1  CD2                                       
REMARK 470     GLN D  50    CG   CD   OE1  NE2                                  
REMARK 470     ASP D  51    CG   OD1  OD2                                       
REMARK 470     MET D  52    CG   SD   CE                                        
REMARK 470     GLU D  55    CG   CD   OE1  OE2                                  
REMARK 470     ASP D  57    CG   OD1  OD2                                       
REMARK 470     ASN D  61    CG   OD1  ND2                                       
REMARK 470     GLU D  68    CG   CD   OE1  OE2                                  
REMARK 470     PHE D  69    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     THR D  71    OG1  CG2                                            
REMARK 470     MET D  72    CG   SD   CE                                        
REMARK 470     MET D  73    CG   SD   CE                                        
REMARK 470     ARG D  75    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS D  76    CG   CD   CE   NZ                                   
REMARK 470     MET D  77    CG   SD   CE                                        
REMARK 470     LYS D  78    CG   CD   CE   NZ                                   
REMARK 470     ASP D  79    CG   OD1  OD2                                       
REMARK 470     ASP D  81    CG   OD1  OD2                                       
REMARK 470     GLU D  83    CG   CD   OE1  OE2                                  
REMARK 470     ILE D  86    CG1  CG2  CD1                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    THR C    80     N    SER C    82              1.88            
REMARK 500   NH1  ARG B   676     O    SER B   700              1.98            
REMARK 500   NZ   LYS A   367     OE1  GLU A   381              1.98            
REMARK 500   OE2  GLU A   137     NH1  ARG A   140              2.13            
REMARK 500   O    VAL D    36     OG   SER D    39              2.15            
REMARK 500   O    GLN A   458     OH   TYR A   617              2.15            
REMARK 500   OG   SER A   399     OD2  ASP A   473              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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   CB   SER A   435     CE   MET C    77     2656     1.88            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ASP A 542   CB  -  CG  -  OD2 ANGL. DEV. =  -6.7 DEGREES          
REMARK 500    ASP A 692   CB  -  CG  -  OD1 ANGL. DEV. =   7.3 DEGREES          
REMARK 500    ASP A 692   CB  -  CG  -  OD2 ANGL. DEV. =  -8.6 DEGREES          
REMARK 500    GLU A 767   CA  -  CB  -  CG  ANGL. DEV. =  15.4 DEGREES          
REMARK 500    LEU B 346   CA  -  CB  -  CG  ANGL. DEV. =  21.6 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    LYS A 229       48.65    -86.66                                   
REMARK 500    ASN A 230     -175.39   -173.88                                   
REMARK 500    ARG A 295       81.31    -67.05                                   
REMARK 500    LEU A 296       -0.10     69.84                                   
REMARK 500    GLN A 350       50.48    -93.79                                   
REMARK 500    ARG A 352       16.46     46.92                                   
REMARK 500    LEU A 509       69.86   -100.87                                   
REMARK 500    TYR A 532       41.15   -104.90                                   
REMARK 500    LEU A 543       30.87    -86.31                                   
REMARK 500    THR A 568      -60.30    -95.78                                   
REMARK 500    GLN A 695       45.38    -81.28                                   
REMARK 500    VAL A 718      -60.71   -122.83                                   
REMARK 500    ARG B 107       67.83     61.13                                   
REMARK 500    PRO B 120       76.87    -69.64                                   
REMARK 500    ASN B 230     -177.27   -171.54                                   
REMARK 500    LEU B 296       -4.73     79.32                                   
REMARK 500    ARG B 345       63.78   -102.27                                   
REMARK 500    LEU B 423        1.50    -68.97                                   
REMARK 500    ASP B 424       43.48   -141.28                                   
REMARK 500    THR B 430       38.96    -97.22                                   
REMARK 500    LEU B 431       67.50     63.12                                   
REMARK 500    LEU B 438       48.49     34.04                                   
REMARK 500    LEU B 509       71.00   -100.21                                   
REMARK 500    GLN B 519      -22.35     84.02                                   
REMARK 500    TYR B 532       40.12   -108.48                                   
REMARK 500    MSE B 626       -2.88     77.49                                   
REMARK 500    VAL B 718      -60.72   -122.65                                   
REMARK 500    ASN C  43       74.75   -154.07                                   
REMARK 500    GLN C  50      -15.32     82.93                                   
REMARK 500    ASP C  51      -50.01   -148.33                                   
REMARK 500    MET C  52      -28.39     65.74                                   
REMARK 500    ILE C  53      -30.36     46.59                                   
REMARK 500    ASN C  54      -62.95   -139.02                                   
REMARK 500    ARG C  75        3.33    -67.05                                   
REMARK 500    THR C  80      -88.97    -77.70                                   
REMARK 500    ASP C  81      -42.15    -17.92                                   
REMARK 500    ALA C  89      -80.11    -67.03                                   
REMARK 500    PHE C  90      131.60    179.74                                   
REMARK 500    ARG C  91       -9.39     61.91                                   
REMARK 500    PHE C  93     -177.30    -68.88                                   
REMARK 500    LYS C  95     -155.57   -148.34                                   
REMARK 500    ALA C 104       82.55   -152.64                                   
REMARK 500    GLU C 105      -61.36   -132.82                                   
REMARK 500    LEU C 106       -0.03   -143.68                                   
REMARK 500    HIS C 108     -154.72   -161.41                                   
REMARK 500    VAL C 109       71.68     70.00                                   
REMARK 500    MET C 110       63.04     66.40                                   
REMARK 500    ASP D  25       40.88   -149.97                                   
REMARK 500    THR D  29       73.01     59.06                                   
REMARK 500    LYS D  31       10.28   -145.44                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      60 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 MSE B  625     MSE B  626                  149.90                    
REMARK 500 GLN C   50     ASP C   51                  147.29                    
REMARK 500 ILE C   53     ASN C   54                  141.36                    
REMARK 500 PHE D   66     PRO D   67                  135.27                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A1004        DISTANCE =  8.11 ANGSTROMS                       
REMARK 525    HOH C 304        DISTANCE =  6.01 ANGSTROMS                       
REMARK 525    HOH C 305        DISTANCE =  7.00 ANGSTROMS                       
REMARK 525    HOH C 306        DISTANCE =  7.76 ANGSTROMS                       
REMARK 525    HOH D 301        DISTANCE =  6.90 ANGSTROMS                       
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA C 201  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP C  21   OD1                                                    
REMARK 620 2 ASP C  23   OD1  80.2                                              
REMARK 620 3 THR C  27   O   153.3 126.2                                        
REMARK 620 4 THR C  27   OG1 109.0  62.0  84.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA D 201  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP D  21   OD1                                                    
REMARK 620 2 ASP D  21   OD2  47.5                                              
REMARK 620 3 ASP D  23   OD1  78.0 118.7                                        
REMARK 620 4 THR D  27   OG1  75.9 118.8  54.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 901                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 902                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL B 901                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL B 902                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CA C 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CA D 201                  
DBREF  6K4L A    1   873  UNP    Q5ZTK6   Q5ZTK6_LEGPH     1    873             
DBREF  6K4L B    1   873  UNP    Q5ZTK6   Q5ZTK6_LEGPH     1    873             
DBREF  6K4L C    1   149  UNP    P0DP23   CALM1_HUMAN      1    149             
DBREF  6K4L D    1   149  UNP    P0DP23   CALM1_HUMAN      1    149             
SEQRES   1 A  873  MSE PHE GLY PHE ILE LYS LYS VAL LEU ASP PHE PHE GLY          
SEQRES   2 A  873  VAL ASP GLN SER GLU ASP ASN PRO SER GLU THR ALA VAL          
SEQRES   3 A  873  GLU THR THR ASP VAL SER THR LYS ILE LYS THR THR ASP          
SEQRES   4 A  873  THR THR GLN GLU GLU SER SER VAL LYS THR LYS THR VAL          
SEQRES   5 A  873  VAL PRO THR GLN PRO GLY GLY SER VAL LYS PRO GLU THR          
SEQRES   6 A  873  ILE ALA PRO ASP GLN GLN LYS LYS HIS GLN ILE LYS THR          
SEQRES   7 A  873  GLU THR THR THR SER THR THR LYS GLN LYS GLY PRO LYS          
SEQRES   8 A  873  VAL THR LEU MSE ASP GLY HIS VAL LYS GLN TYR TYR PHE          
SEQRES   9 A  873  ALA ARG ARG GLY GLU THR SER THR HIS ASP THR SER LEU          
SEQRES  10 A  873  PRO PRO PRO VAL LYS VAL LEU SER GLY ARG SER ILE PRO          
SEQRES  11 A  873  LEU LYS GLU ILE PRO PHE GLU ALA THR ARG ASN GLU LEU          
SEQRES  12 A  873  VAL GLN ILE TYR LEU THR SER ILE ASP LYS LEU ILE LYS          
SEQRES  13 A  873  SER ASN LYS LEU ASN SER ILE PRO SER GLN GLN ILE ALA          
SEQRES  14 A  873  SER HIS TYR LEU PHE LEU ARG SER LEU ALA ASN SER GLU          
SEQRES  15 A  873  THR ASP GLY ILE LYS LYS ASN GLN ILE LEU SER LEU ALA          
SEQRES  16 A  873  LYS PRO LEU GLY THR TYR LEU ALA SER LYS GLU PRO HIS          
SEQRES  17 A  873  VAL TRP LYS MSE ILE ASN GLU LEU ILE GLU LYS SER GLU          
SEQRES  18 A  873  TYR PRO ILE ILE HIS TYR LEU LYS ASN ASN ARG ALA HIS          
SEQRES  19 A  873  SER ASN PHE MSE LEU ALA LEU ILE HIS GLU TYR HIS LYS          
SEQRES  20 A  873  GLU PRO LEU THR LYS ASN GLN SER ALA PHE VAL GLN LYS          
SEQRES  21 A  873  PHE ARG ASP SER SER VAL PHE LEU PHE PRO ASN PRO ILE          
SEQRES  22 A  873  TYR THR ALA TRP LEU ALA HIS SER TYR ASP GLU ASP SER          
SEQRES  23 A  873  SER PHE ASN PRO MSE PHE ARG GLU ARG LEU SER THR ASN          
SEQRES  24 A  873  PHE TYR HIS SER THR LEU THR ASP ASN LEU LEU LEU ARG          
SEQRES  25 A  873  THR GLU PRO LYS GLU VAL THR LEU SER SER GLU HIS HIS          
SEQRES  26 A  873  TYR LYS LYS GLU LYS GLY PRO ILE ASP SER SER PHE ARG          
SEQRES  27 A  873  TYR GLN MSE SER SER ASP ARG LEU LEU ARG ILE GLN GLY          
SEQRES  28 A  873  ARG THR LEU LEU PHE SER THR PRO GLN ASN ASP VAL VAL          
SEQRES  29 A  873  ALA VAL LYS VAL GLN LYS LYS GLY GLU PRO LYS SER THR          
SEQRES  30 A  873  LEU GLU GLU GLU PHE GLU MSE ALA ASP TYR LEU LEU LYS          
SEQRES  31 A  873  HIS GLN ARG ARG LEU ASP VAL HIS SER LYS LEU PRO GLN          
SEQRES  32 A  873  PRO LEU GLY GLN TYR SER VAL LYS LYS SER GLU ILE LEU          
SEQRES  33 A  873  GLU ILE SER ARG GLY SER LEU ASP PHE GLU ARG PHE LYS          
SEQRES  34 A  873  THR LEU ILE ASP ASP SER LYS ASP LEU GLU VAL TYR VAL          
SEQRES  35 A  873  TYR LYS ALA PRO GLN SER TYR PHE THR TYR LEU HIS ASP          
SEQRES  36 A  873  LYS ASN GLN ASP LEU GLU ASP LEU THR ALA SER VAL LYS          
SEQRES  37 A  873  THR ASN VAL HIS ASP LEU PHE VAL LEU LEU ARG GLU GLY          
SEQRES  38 A  873  ILE VAL PHE PRO GLN LEU ALA ASP ILE PHE HIS THR HIS          
SEQRES  39 A  873  PHE GLY GLU ASP GLU ARG GLU ASP LYS GLY ARG TYR GLN          
SEQRES  40 A  873  ALA LEU VAL GLN LEU LEU ASN VAL LEU GLN PHE GLN LEU          
SEQRES  41 A  873  GLY ARG ILE ASP LYS TRP GLN LYS ALA VAL GLU TYR VAL          
SEQRES  42 A  873  ASN LEU ARG SER SER GLY LEU ALA ASP LEU GLY ASP SER          
SEQRES  43 A  873  LEU PRO ILE THR SER LEU PHE THR SER SER ASP PHE THR          
SEQRES  44 A  873  LYS HIS TYR PHE SER GLU LEU LEU THR GLY GLY TYR HIS          
SEQRES  45 A  873  PRO THR PHE PHE ASP LYS SER SER GLY THR ALA ASN SER          
SEQRES  46 A  873  LEU PHE THR GLY LYS ARG ARG LEU PHE GLY ASN TYR LEU          
SEQRES  47 A  873  TYR LEU ASN THR ILE ALA GLU TYR LEU LEU VAL ILE GLN          
SEQRES  48 A  873  LEU THR LEU GLY SER TYR GLY ASP LYS VAL THR ARG ASP          
SEQRES  49 A  873  MSE MSE ASP LYS PRO LYS LYS GLU ALA VAL TRP ARG GLU          
SEQRES  50 A  873  LEU ALA ASN VAL MSE PHE THR SER CYS ALA GLU ALA ILE          
SEQRES  51 A  873  HIS ILE MSE THR GLY ILE PRO GLN SER ARG ALA LEU THR          
SEQRES  52 A  873  LEU LEU LYS GLN ARG ALA ASN ILE GLU LYS HIS PHE ARG          
SEQRES  53 A  873  GLN THR GLN PHE TRP MSE THR PRO ASP TYR SER LYS LEU          
SEQRES  54 A  873  ASP GLU ASP THR LEU GLN MSE GLU GLN TYR SER ILE TYR          
SEQRES  55 A  873  SER GLY GLU PRO GLU TYR GLU PHE THR ASP LYS LEU VAL          
SEQRES  56 A  873  SER GLY VAL GLY LEU SER VAL ASP GLY VAL HIS GLN ASP          
SEQRES  57 A  873  LEU GLY GLY TYR ASN ARG GLU SER PRO LEU ARG GLU LEU          
SEQRES  58 A  873  GLU LYS LEU LEU TYR ALA THR VAL THR LEU ILE GLU GLY          
SEQRES  59 A  873  THR MSE GLN LEU ASP LYS GLU PHE PHE LYS GLN LEU GLU          
SEQRES  60 A  873  GLN VAL GLU LYS ILE LEU SER GLY GLU ILE LYS THR ASP          
SEQRES  61 A  873  ALA ASN SER CYS PHE GLU ALA VAL ALA GLN LEU LEU ASP          
SEQRES  62 A  873  LEU ALA ARG PRO GLY CYS HIS PHE GLN LYS ARG LEU VAL          
SEQRES  63 A  873  LEU SER TYR TYR GLU GLU ALA LYS LEU LYS TYR PRO SER          
SEQRES  64 A  873  ALA PRO THR ASP ALA TYR ASP SER ARG PHE GLN VAL VAL          
SEQRES  65 A  873  ALA ARG THR ASN ALA ALA ILE THR ILE GLN ARG PHE TRP          
SEQRES  66 A  873  ARG GLU ALA ARG LYS ASN LEU SER GLU LYS SER ASP ILE          
SEQRES  67 A  873  ASP SER GLU LYS PRO GLU SER GLU ARG THR THR ASP LYS          
SEQRES  68 A  873  ARG LEU                                                      
SEQRES   1 B  873  MSE PHE GLY PHE ILE LYS LYS VAL LEU ASP PHE PHE GLY          
SEQRES   2 B  873  VAL ASP GLN SER GLU ASP ASN PRO SER GLU THR ALA VAL          
SEQRES   3 B  873  GLU THR THR ASP VAL SER THR LYS ILE LYS THR THR ASP          
SEQRES   4 B  873  THR THR GLN GLU GLU SER SER VAL LYS THR LYS THR VAL          
SEQRES   5 B  873  VAL PRO THR GLN PRO GLY GLY SER VAL LYS PRO GLU THR          
SEQRES   6 B  873  ILE ALA PRO ASP GLN GLN LYS LYS HIS GLN ILE LYS THR          
SEQRES   7 B  873  GLU THR THR THR SER THR THR LYS GLN LYS GLY PRO LYS          
SEQRES   8 B  873  VAL THR LEU MSE ASP GLY HIS VAL LYS GLN TYR TYR PHE          
SEQRES   9 B  873  ALA ARG ARG GLY GLU THR SER THR HIS ASP THR SER LEU          
SEQRES  10 B  873  PRO PRO PRO VAL LYS VAL LEU SER GLY ARG SER ILE PRO          
SEQRES  11 B  873  LEU LYS GLU ILE PRO PHE GLU ALA THR ARG ASN GLU LEU          
SEQRES  12 B  873  VAL GLN ILE TYR LEU THR SER ILE ASP LYS LEU ILE LYS          
SEQRES  13 B  873  SER ASN LYS LEU ASN SER ILE PRO SER GLN GLN ILE ALA          
SEQRES  14 B  873  SER HIS TYR LEU PHE LEU ARG SER LEU ALA ASN SER GLU          
SEQRES  15 B  873  THR ASP GLY ILE LYS LYS ASN GLN ILE LEU SER LEU ALA          
SEQRES  16 B  873  LYS PRO LEU GLY THR TYR LEU ALA SER LYS GLU PRO HIS          
SEQRES  17 B  873  VAL TRP LYS MSE ILE ASN GLU LEU ILE GLU LYS SER GLU          
SEQRES  18 B  873  TYR PRO ILE ILE HIS TYR LEU LYS ASN ASN ARG ALA HIS          
SEQRES  19 B  873  SER ASN PHE MSE LEU ALA LEU ILE HIS GLU TYR HIS LYS          
SEQRES  20 B  873  GLU PRO LEU THR LYS ASN GLN SER ALA PHE VAL GLN LYS          
SEQRES  21 B  873  PHE ARG ASP SER SER VAL PHE LEU PHE PRO ASN PRO ILE          
SEQRES  22 B  873  TYR THR ALA TRP LEU ALA HIS SER TYR ASP GLU ASP SER          
SEQRES  23 B  873  SER PHE ASN PRO MSE PHE ARG GLU ARG LEU SER THR ASN          
SEQRES  24 B  873  PHE TYR HIS SER THR LEU THR ASP ASN LEU LEU LEU ARG          
SEQRES  25 B  873  THR GLU PRO LYS GLU VAL THR LEU SER SER GLU HIS HIS          
SEQRES  26 B  873  TYR LYS LYS GLU LYS GLY PRO ILE ASP SER SER PHE ARG          
SEQRES  27 B  873  TYR GLN MSE SER SER ASP ARG LEU LEU ARG ILE GLN GLY          
SEQRES  28 B  873  ARG THR LEU LEU PHE SER THR PRO GLN ASN ASP VAL VAL          
SEQRES  29 B  873  ALA VAL LYS VAL GLN LYS LYS GLY GLU PRO LYS SER THR          
SEQRES  30 B  873  LEU GLU GLU GLU PHE GLU MSE ALA ASP TYR LEU LEU LYS          
SEQRES  31 B  873  HIS GLN ARG ARG LEU ASP VAL HIS SER LYS LEU PRO GLN          
SEQRES  32 B  873  PRO LEU GLY GLN TYR SER VAL LYS LYS SER GLU ILE LEU          
SEQRES  33 B  873  GLU ILE SER ARG GLY SER LEU ASP PHE GLU ARG PHE LYS          
SEQRES  34 B  873  THR LEU ILE ASP ASP SER LYS ASP LEU GLU VAL TYR VAL          
SEQRES  35 B  873  TYR LYS ALA PRO GLN SER TYR PHE THR TYR LEU HIS ASP          
SEQRES  36 B  873  LYS ASN GLN ASP LEU GLU ASP LEU THR ALA SER VAL LYS          
SEQRES  37 B  873  THR ASN VAL HIS ASP LEU PHE VAL LEU LEU ARG GLU GLY          
SEQRES  38 B  873  ILE VAL PHE PRO GLN LEU ALA ASP ILE PHE HIS THR HIS          
SEQRES  39 B  873  PHE GLY GLU ASP GLU ARG GLU ASP LYS GLY ARG TYR GLN          
SEQRES  40 B  873  ALA LEU VAL GLN LEU LEU ASN VAL LEU GLN PHE GLN LEU          
SEQRES  41 B  873  GLY ARG ILE ASP LYS TRP GLN LYS ALA VAL GLU TYR VAL          
SEQRES  42 B  873  ASN LEU ARG SER SER GLY LEU ALA ASP LEU GLY ASP SER          
SEQRES  43 B  873  LEU PRO ILE THR SER LEU PHE THR SER SER ASP PHE THR          
SEQRES  44 B  873  LYS HIS TYR PHE SER GLU LEU LEU THR GLY GLY TYR HIS          
SEQRES  45 B  873  PRO THR PHE PHE ASP LYS SER SER GLY THR ALA ASN SER          
SEQRES  46 B  873  LEU PHE THR GLY LYS ARG ARG LEU PHE GLY ASN TYR LEU          
SEQRES  47 B  873  TYR LEU ASN THR ILE ALA GLU TYR LEU LEU VAL ILE GLN          
SEQRES  48 B  873  LEU THR LEU GLY SER TYR GLY ASP LYS VAL THR ARG ASP          
SEQRES  49 B  873  MSE MSE ASP LYS PRO LYS LYS GLU ALA VAL TRP ARG GLU          
SEQRES  50 B  873  LEU ALA ASN VAL MSE PHE THR SER CYS ALA GLU ALA ILE          
SEQRES  51 B  873  HIS ILE MSE THR GLY ILE PRO GLN SER ARG ALA LEU THR          
SEQRES  52 B  873  LEU LEU LYS GLN ARG ALA ASN ILE GLU LYS HIS PHE ARG          
SEQRES  53 B  873  GLN THR GLN PHE TRP MSE THR PRO ASP TYR SER LYS LEU          
SEQRES  54 B  873  ASP GLU ASP THR LEU GLN MSE GLU GLN TYR SER ILE TYR          
SEQRES  55 B  873  SER GLY GLU PRO GLU TYR GLU PHE THR ASP LYS LEU VAL          
SEQRES  56 B  873  SER GLY VAL GLY LEU SER VAL ASP GLY VAL HIS GLN ASP          
SEQRES  57 B  873  LEU GLY GLY TYR ASN ARG GLU SER PRO LEU ARG GLU LEU          
SEQRES  58 B  873  GLU LYS LEU LEU TYR ALA THR VAL THR LEU ILE GLU GLY          
SEQRES  59 B  873  THR MSE GLN LEU ASP LYS GLU PHE PHE LYS GLN LEU GLU          
SEQRES  60 B  873  GLN VAL GLU LYS ILE LEU SER GLY GLU ILE LYS THR ASP          
SEQRES  61 B  873  ALA ASN SER CYS PHE GLU ALA VAL ALA GLN LEU LEU ASP          
SEQRES  62 B  873  LEU ALA ARG PRO GLY CYS HIS PHE GLN LYS ARG LEU VAL          
SEQRES  63 B  873  LEU SER TYR TYR GLU GLU ALA LYS LEU LYS TYR PRO SER          
SEQRES  64 B  873  ALA PRO THR ASP ALA TYR ASP SER ARG PHE GLN VAL VAL          
SEQRES  65 B  873  ALA ARG THR ASN ALA ALA ILE THR ILE GLN ARG PHE TRP          
SEQRES  66 B  873  ARG GLU ALA ARG LYS ASN LEU SER GLU LYS SER ASP ILE          
SEQRES  67 B  873  ASP SER GLU LYS PRO GLU SER GLU ARG THR THR ASP LYS          
SEQRES  68 B  873  ARG LEU                                                      
SEQRES   1 C  149  MET ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE          
SEQRES   2 C  149  LYS GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY          
SEQRES   3 C  149  THR ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER          
SEQRES   4 C  149  LEU GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET          
SEQRES   5 C  149  ILE ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP          
SEQRES   6 C  149  PHE PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS          
SEQRES   7 C  149  ASP THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG          
SEQRES   8 C  149  VAL PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA          
SEQRES   9 C  149  GLU LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU          
SEQRES  10 C  149  THR ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP          
SEQRES  11 C  149  ILE ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL          
SEQRES  12 C  149  GLN MET MET THR ALA LYS                                      
SEQRES   1 D  149  MET ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE          
SEQRES   2 D  149  LYS GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY          
SEQRES   3 D  149  THR ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER          
SEQRES   4 D  149  LEU GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET          
SEQRES   5 D  149  ILE ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP          
SEQRES   6 D  149  PHE PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS          
SEQRES   7 D  149  ASP THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG          
SEQRES   8 D  149  VAL PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA          
SEQRES   9 D  149  GLU LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU          
SEQRES  10 D  149  THR ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP          
SEQRES  11 D  149  ILE ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL          
SEQRES  12 D  149  GLN MET MET THR ALA LYS                                      
MODRES 6K4L MSE A  212  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  238  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  291  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  341  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  384  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  625  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  642  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  653  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  682  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  696  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE A  756  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  212  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  238  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  291  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  341  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  384  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  626  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  642  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  653  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  682  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  696  MET  MODIFIED RESIDUE                                   
MODRES 6K4L MSE B  756  MET  MODIFIED RESIDUE                                   
HET    MSE  A 212       8                                                       
HET    MSE  A 238       8                                                       
HET    MSE  A 291       8                                                       
HET    MSE  A 341       8                                                       
HET    MSE  A 384       8                                                       
HET    MSE  A 625       8                                                       
HET    MSE  A 642       8                                                       
HET    MSE  A 653       8                                                       
HET    MSE  A 682       8                                                       
HET    MSE  A 696       8                                                       
HET    MSE  A 756       8                                                       
HET    MSE  B 212       8                                                       
HET    MSE  B 238       8                                                       
HET    MSE  B 291       8                                                       
HET    MSE  B 341       8                                                       
HET    MSE  B 384       8                                                       
HET    MSE  B 625       5                                                       
HET    MSE  B 626       8                                                       
HET    MSE  B 642       8                                                       
HET    MSE  B 653       8                                                       
HET    MSE  B 682       8                                                       
HET    MSE  B 696       8                                                       
HET    MSE  B 756       8                                                       
HET     CL  A 901       1                                                       
HET     CL  A 902       1                                                       
HET     CL  B 901       1                                                       
HET     CL  B 902       1                                                       
HET     CA  C 201       1                                                       
HET     CA  D 201       1                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
HETNAM      CL CHLORIDE ION                                                     
HETNAM      CA CALCIUM ION                                                      
FORMUL   1  MSE    23(C5 H11 N O2 SE)                                           
FORMUL   5   CL    4(CL 1-)                                                     
FORMUL   9   CA    2(CA 2+)                                                     
FORMUL  11  HOH   *16(H2 O)                                                     
HELIX    1 AA1 PRO A  135  SER A  157  1                                  23    
HELIX    2 AA2 PRO A  164  GLU A  182  1                                  19    
HELIX    3 AA3 ASP A  184  GLU A  206  1                                  23    
HELIX    4 AA4 GLU A  206  GLU A  218  1                                  13    
HELIX    5 AA5 TYR A  222  LEU A  228  1                                   7    
HELIX    6 AA6 ASN A  230  SER A  235  5                                   6    
HELIX    7 AA7 ASN A  236  HIS A  246  1                                  11    
HELIX    8 AA8 THR A  251  PHE A  261  1                                  11    
HELIX    9 AA9 SER A  264  PHE A  269  5                                   6    
HELIX   10 AB1 PRO A  270  SER A  281  1                                  12    
HELIX   11 AB2 TYR A  301  LEU A  311  1                                  11    
HELIX   12 AB3 PRO A  374  HIS A  391  1                                  18    
HELIX   13 AB4 HIS A  391  ASP A  396  1                                   6    
HELIX   14 AB5 LYS A  412  ILE A  418  1                                   7    
HELIX   15 AB6 PRO A  446  THR A  451  5                                   6    
HELIX   16 AB7 ASP A  459  GLU A  480  1                                  22    
HELIX   17 AB8 LEU A  509  LEU A  513  5                                   5    
HELIX   18 AB9 LYS A  525  VAL A  530  1                                   6    
HELIX   19 AC1 THR A  550  THR A  554  5                                   5    
HELIX   20 AC2 SER A  556  PHE A  563  1                                   8    
HELIX   21 AC3 PHE A  563  GLY A  569  1                                   7    
HELIX   22 AC4 HIS A  572  THR A  574  5                                   3    
HELIX   23 AC5 LEU A  586  ARG A  592  5                                   7    
HELIX   24 AC6 LEU A  593  ARG A  623  1                                  31    
HELIX   25 AC7 LYS A  628  GLY A  655  1                                  28    
HELIX   26 AC8 PRO A  657  ALA A  669  1                                  13    
HELIX   27 AC9 ASN A  670  MSE A  682  1                                  13    
HELIX   28 AD1 THR A  683  LEU A  689  5                                   7    
HELIX   29 AD2 ASP A  690  TYR A  702  1                                  13    
HELIX   30 AD3 LEU A  738  SER A  774  1                                  37    
HELIX   31 AD4 ASP A  780  LEU A  794  1                                  15    
HELIX   32 AD5 CYS A  799  TYR A  817  1                                  19    
HELIX   33 AD6 THR A  822  PHE A  844  1                                  23    
HELIX   34 AD7 PRO B  135  SER B  157  1                                  23    
HELIX   35 AD8 LYS B  159  ILE B  163  5                                   5    
HELIX   36 AD9 PRO B  164  GLU B  182  1                                  19    
HELIX   37 AE1 ASP B  184  GLU B  206  1                                  23    
HELIX   38 AE2 GLU B  206  GLU B  218  1                                  13    
HELIX   39 AE3 TYR B  222  LEU B  228  1                                   7    
HELIX   40 AE4 ASN B  230  SER B  235  5                                   6    
HELIX   41 AE5 ASN B  236  HIS B  246  1                                  11    
HELIX   42 AE6 THR B  251  PHE B  261  1                                  11    
HELIX   43 AE7 SER B  264  PHE B  269  5                                   6    
HELIX   44 AE8 PRO B  270  SER B  281  1                                  12    
HELIX   45 AE9 TYR B  301  LEU B  311  1                                  11    
HELIX   46 AF1 PRO B  374  HIS B  391  1                                  18    
HELIX   47 AF2 HIS B  391  ASP B  396  1                                   6    
HELIX   48 AF3 LYS B  411  ARG B  420  1                                  10    
HELIX   49 AF4 PRO B  446  THR B  451  5                                   6    
HELIX   50 AF5 GLU B  461  GLU B  480  1                                  20    
HELIX   51 AF6 LYS B  525  VAL B  530  1                                   6    
HELIX   52 AF7 THR B  550  THR B  554  5                                   5    
HELIX   53 AF8 SER B  556  PHE B  563  1                                   8    
HELIX   54 AF9 PHE B  563  GLY B  569  1                                   7    
HELIX   55 AG1 HIS B  572  THR B  574  5                                   3    
HELIX   56 AG2 LEU B  586  ARG B  592  5                                   7    
HELIX   57 AG3 LEU B  593  ARG B  623  1                                  31    
HELIX   58 AG4 ASP B  627  GLY B  655  1                                  29    
HELIX   59 AG5 PRO B  657  ALA B  669  1                                  13    
HELIX   60 AG6 ASN B  670  MSE B  682  1                                  13    
HELIX   61 AG7 PRO B  684  LEU B  689  5                                   6    
HELIX   62 AG8 THR B  693  TYR B  702  1                                  10    
HELIX   63 AG9 LEU B  738  GLY B  775  1                                  38    
HELIX   64 AH1 ASP B  780  LEU B  794  1                                  15    
HELIX   65 AH2 CYS B  799  TYR B  817  1                                  19    
HELIX   66 AH3 THR B  822  GLN B  842  1                                  21    
HELIX   67 AH4 THR C    6  ASP C   21  1                                  16    
HELIX   68 AH5 THR C   29  SER C   39  1                                  11    
HELIX   69 AH6 ALA C   58  THR C   71  1                                  14    
HELIX   70 AH7 ARG C   75  ARG C   87  1                                  13    
HELIX   71 AH8 ASP C   96  ILE C  101  1                                   6    
HELIX   72 AH9 SER C  102  ALA C  104  5                                   3    
HELIX   73 AI1 THR D    6  PHE D   20  1                                  15    
HELIX   74 AI2 GLU D   32  SER D   39  1                                   8    
HELIX   75 AI3 ALA D   58  PHE D   66  1                                   9    
HELIX   76 AI4 LYS D   76  GLU D   83  1                                   8    
HELIX   77 AI5 GLU D   84  ILE D   86  5                                   3    
SHEET    1 AA1 2 ALA A 105  GLU A 109  0                                        
SHEET    2 AA1 2 LYS A 316  LEU A 320 -1  O  GLU A 317   N  GLY A 108           
SHEET    1 AA2 4 VAL A 121  LEU A 124  0                                        
SHEET    2 AA2 4 ARG A 127  GLU A 133 -1  O  ILE A 129   N  LYS A 122           
SHEET    3 AA2 4 THR A 582  SER A 585  1  O  ALA A 583   N  PRO A 130           
SHEET    4 AA2 4 PHE A 576  ASP A 577 -1  N  ASP A 577   O  THR A 582           
SHEET    1 AA3 2 MSE A 291  ARG A 293  0                                        
SHEET    2 AA3 2 THR A 298  PHE A 300 -1  O  ASN A 299   N  PHE A 292           
SHEET    1 AA4 5 LEU A 346  ILE A 349  0                                        
SHEET    2 AA4 5 THR A 353  PHE A 356 -1  O  LEU A 355   N  ARG A 348           
SHEET    3 AA4 5 VAL A 363  VAL A 368 -1  O  VAL A 366   N  LEU A 354           
SHEET    4 AA4 5 ASP A 437  ALA A 445 -1  O  TYR A 443   N  ALA A 365           
SHEET    5 AA4 5 GLN A 403  LYS A 411 -1  N  TYR A 408   O  VAL A 440           
SHEET    1 AA5 2 ILE A 482  VAL A 483  0                                        
SHEET    2 AA5 2 LEU A 547  PRO A 548 -1  O  LEU A 547   N  VAL A 483           
SHEET    1 AA6 2 LEU A 535  ARG A 536  0                                        
SHEET    2 AA6 2 GLY A 539  LEU A 540 -1  O  GLY A 539   N  ARG A 536           
SHEET    1 AA7 2 GLY B 108  GLU B 109  0                                        
SHEET    2 AA7 2 LYS B 316  GLU B 317 -1  O  GLU B 317   N  GLY B 108           
SHEET    1 AA8 4 VAL B 121  LEU B 124  0                                        
SHEET    2 AA8 4 ARG B 127  GLU B 133 -1  O  ILE B 129   N  LYS B 122           
SHEET    3 AA8 4 THR B 582  SER B 585  1  O  ALA B 583   N  PRO B 130           
SHEET    4 AA8 4 PHE B 576  ASP B 577 -1  N  ASP B 577   O  THR B 582           
SHEET    1 AA9 2 MSE B 291  GLU B 294  0                                        
SHEET    2 AA9 2 SER B 297  PHE B 300 -1  O  SER B 297   N  GLU B 294           
SHEET    1 AB1 5 LEU B 346  ILE B 349  0                                        
SHEET    2 AB1 5 THR B 353  PHE B 356 -1  O  LEU B 355   N  ARG B 348           
SHEET    3 AB1 5 VAL B 363  VAL B 368 -1  O  VAL B 366   N  LEU B 354           
SHEET    4 AB1 5 VAL B 440  ALA B 445 -1  O  TYR B 441   N  LYS B 367           
SHEET    5 AB1 5 GLN B 403  TYR B 408 -1  N  GLY B 406   O  VAL B 442           
SHEET    1 AB2 2 ILE B 482  VAL B 483  0                                        
SHEET    2 AB2 2 LEU B 547  PRO B 548 -1  O  LEU B 547   N  VAL B 483           
LINK         C   LYS A 211                 N   MSE A 212     1555   1555  1.33  
LINK         C   MSE A 212                 N   ILE A 213     1555   1555  1.33  
LINK         C   PHE A 237                 N   MSE A 238     1555   1555  1.33  
LINK         C   MSE A 238                 N   LEU A 239     1555   1555  1.33  
LINK         C   PRO A 290                 N   MSE A 291     1555   1555  1.33  
LINK         C   MSE A 291                 N   PHE A 292     1555   1555  1.33  
LINK         C   GLN A 340                 N   MSE A 341     1555   1555  1.33  
LINK         C   MSE A 341                 N   SER A 342     1555   1555  1.33  
LINK         C   GLU A 383                 N   MSE A 384     1555   1555  1.33  
LINK         C   MSE A 384                 N   ALA A 385     1555   1555  1.34  
LINK         C   ASP A 624                 N   MSE A 625     1555   1555  1.33  
LINK         C   VAL A 641                 N   MSE A 642     1555   1555  1.33  
LINK         C   MSE A 642                 N   PHE A 643     1555   1555  1.34  
LINK         C   ILE A 652                 N   MSE A 653     1555   1555  1.33  
LINK         C   MSE A 653                 N   THR A 654     1555   1555  1.34  
LINK         C   TRP A 681                 N   MSE A 682     1555   1555  1.33  
LINK         C   MSE A 682                 N   THR A 683     1555   1555  1.34  
LINK         C   GLN A 695                 N   MSE A 696     1555   1555  1.33  
LINK         C   MSE A 696                 N   GLU A 697     1555   1555  1.33  
LINK         C   THR A 755                 N   MSE A 756     1555   1555  1.33  
LINK         C   MSE A 756                 N   GLN A 757     1555   1555  1.34  
LINK         C   LYS B 211                 N   MSE B 212     1555   1555  1.33  
LINK         C   MSE B 212                 N   ILE B 213     1555   1555  1.33  
LINK         C   PHE B 237                 N   MSE B 238     1555   1555  1.33  
LINK         C   MSE B 238                 N   LEU B 239     1555   1555  1.34  
LINK         C   PRO B 290                 N   MSE B 291     1555   1555  1.33  
LINK         C   MSE B 291                 N   PHE B 292     1555   1555  1.33  
LINK         C   GLN B 340                 N   MSE B 341     1555   1555  1.32  
LINK         C   MSE B 341                 N   SER B 342     1555   1555  1.33  
LINK         C   GLU B 383                 N   MSE B 384     1555   1555  1.33  
LINK         C   MSE B 384                 N   ALA B 385     1555   1555  1.34  
LINK         C   ASP B 624                 N   MSE B 625     1555   1555  1.34  
LINK         C   MSE B 625                 N   MSE B 626     1555   1555  1.33  
LINK         C   MSE B 626                 N   ASP B 627     1555   1555  1.33  
LINK         C   VAL B 641                 N   MSE B 642     1555   1555  1.33  
LINK         C   MSE B 642                 N   PHE B 643     1555   1555  1.34  
LINK         C   ILE B 652                 N   MSE B 653     1555   1555  1.33  
LINK         C   MSE B 653                 N   THR B 654     1555   1555  1.34  
LINK         C   TRP B 681                 N   MSE B 682     1555   1555  1.33  
LINK         C   MSE B 682                 N   THR B 683     1555   1555  1.33  
LINK         C   GLN B 695                 N   MSE B 696     1555   1555  1.33  
LINK         C   MSE B 696                 N   GLU B 697     1555   1555  1.34  
LINK         C   THR B 755                 N   MSE B 756     1555   1555  1.33  
LINK         C   MSE B 756                 N   GLN B 757     1555   1555  1.33  
LINK         OD1 ASP C  21                CA    CA C 201     1555   1555  2.73  
LINK         OD1 ASP C  23                CA    CA C 201     1555   1555  2.34  
LINK         O   THR C  27                CA    CA C 201     1555   1555  2.40  
LINK         OG1 THR C  27                CA    CA C 201     1555   1555  2.03  
LINK         OD1 ASP D  21                CA    CA D 201     1555   1555  2.27  
LINK         OD2 ASP D  21                CA    CA D 201     1555   1555  2.94  
LINK         OD1 ASP D  23                CA    CA D 201     1555   1555  2.42  
LINK         OG1 THR D  27                CA    CA D 201     1555   1555  2.45  
SITE     1 AC1  2 LYS A 260  PHE A 587                                          
SITE     1 AC2  3 ILE A 163  GLN A 167  LEU A 241                               
SITE     1 AC3  2 LYS B 260  PHE B 587                                          
SITE     1 AC4  3 ARG B 505  THR B 602  GLU B 605                               
SITE     1 AC5  4 ASP C  21  ASP C  23  THR C  27  ILE C  28                    
SITE     1 AC6  6 ASP D  21  ASP D  23  ASP D  25  GLY D  26                    
SITE     2 AC6  6 THR D  27  ILE D  28                                          
CRYST1   61.060  159.246  135.809  90.00 101.68  90.00 P 1 21 1      4          
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      0.016377  0.000000  0.003385        0.00000                         
SCALE2      0.000000  0.006280  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007519        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system