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Database: PDB
Entry: 6RVC
LinkDB: 6RVC
Original site: 6RVC 
HEADER    MEMBRANE PROTEIN                        31-MAY-19   6RVC              
TITLE     CRYSTAL STRUCTURE OF PATCHED-1 ECTODOMAIN 2 (PTCH1-ECD2) IN COMPLEX   
TITLE    2 WITH NANOBODY 75                                                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN PATCHED HOMOLOG 1;                                 
COMPND   3 CHAIN: A, B, C;                                                      
COMPND   4 SYNONYM: PTC1;                                                       
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 OTHER_DETAILS: HUMAN PTCH1-ECD2, CONTAINING A N-TERMINAL HIS6-TAG FOR
COMPND   7 IMAC PURIFICATION.;                                                  
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: NANOBODY NB75;                                             
COMPND  10 CHAIN: D, E, F;                                                      
COMPND  11 ENGINEERED: YES;                                                     
COMPND  12 OTHER_DETAILS: LLAMA NANOBODY NB75 CONTAINING A A C-TERMINAL HIS6-TAG
COMPND  13 FOR IMAC PURIFICATION.                                               
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: PTCH1, PTCH;                                                   
SOURCE   6 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE   8 EXPRESSION_SYSTEM_CELL_LINE: HEK293T;                                
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PHLSEC;                                   
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: LAMA GLAMA;                                     
SOURCE  12 ORGANISM_TAXID: 9844;                                                
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  15 EXPRESSION_SYSTEM_PLASMID: PMES4Y                                    
KEYWDS    ---- HEDGEHOG MORPHOGEN RECEPTOR, RECEPTOR-NANOBODY COMPLEX,          
KEYWDS   2 CHOLESTEROL, PALMITATE, LIPID-PROTEIN-MODIFICATION, MEMBRANE PROTEIN 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.F.RUDOLF,C.KOWATSCH,K.EL OMARI,T.MALINAUSKAS,M.KINNEBREW,           
AUTHOR   2 T.B.ANSELL,B.BISHOP,E.PARDON,R.A.SCHWAB,M.QIAN,R.DUMAN,D.F.COVEY,    
AUTHOR   3 J.STEYAERT,A.WAGNER,M.S.P.SANSOM,R.ROHATGI,C.SIEBOLD                 
REVDAT   3   29-JUL-20 6RVC    1       COMPND REMARK HETNAM LINK                
REVDAT   3 2                   1       SITE                                     
REVDAT   2   09-OCT-19 6RVC    1       JRNL                                     
REVDAT   1   02-OCT-19 6RVC    0                                                
JRNL        AUTH   A.F.RUDOLF,M.KINNEBREW,C.KOWATSCH,T.B.ANSELL,K.EL OMARI,     
JRNL        AUTH 2 B.BISHOP,E.PARDON,R.A.SCHWAB,T.MALINAUSKAS,M.QIAN,R.DUMAN,   
JRNL        AUTH 3 D.F.COVEY,J.STEYAERT,A.WAGNER,M.S.P.SANSOM,R.ROHATGI,        
JRNL        AUTH 4 C.SIEBOLD                                                    
JRNL        TITL   THE MORPHOGEN SONIC HEDGEHOG INHIBITS ITS RECEPTOR PATCHED   
JRNL        TITL 2 BY A PINCER GRASP MECHANISM.                                 
JRNL        REF    NAT.CHEM.BIOL.                V.  15   975 2019              
JRNL        REFN                   ESSN 1552-4469                               
JRNL        PMID   31548691                                                     
JRNL        DOI    10.1038/S41589-019-0370-Y                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.8.0238                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : NICHOLLS,WINN,LONG,VAGIN                             
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 39.16                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 40108                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.206                           
REMARK   3   R VALUE            (WORKING SET) : 0.204                           
REMARK   3   FREE R VALUE                     : 0.241                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.800                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2027                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.20                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.26                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 2909                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 98.81                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3260                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 155                          
REMARK   3   BIN FREE R VALUE                    : 0.3680                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 5112                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 33                                      
REMARK   3   SOLVENT ATOMS            : 202                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 56.49                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.37000                                              
REMARK   3    B22 (A**2) : -0.63000                                             
REMARK   3    B33 (A**2) : -0.74000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.244         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.197         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.169         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.193         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.955                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.940                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  5270 ; 0.008 ; 0.013       
REMARK   3   BOND LENGTHS OTHERS               (A):  4608 ; 0.001 ; 0.018       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  7146 ; 1.455 ; 1.652       
REMARK   3   BOND ANGLES OTHERS          (DEGREES): 10702 ; 1.290 ; 1.594       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   644 ; 6.439 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   277 ;32.252 ;22.816       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   838 ;14.221 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    27 ;17.958 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   670 ; 0.063 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  5975 ; 0.006 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):  1178 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  2594 ; 4.530 ; 5.909       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  2593 ; 4.528 ; 5.908       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  3232 ; 6.218 ; 8.854       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  3233 ; 6.218 ; 8.856       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  2676 ; 5.147 ; 6.276       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  2673 ; 5.139 ; 6.276       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  3909 ; 7.170 ; 9.238       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2): 21410 ; 9.751 ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2): 21322 ; 9.753 ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NCS TYPE: LOCAL                                                    
REMARK   3   NUMBER OF DIFFERENT NCS PAIRS  : 6                                 
REMARK   3  GROUP  CHAIN1    RANGE     CHAIN2     RANGE    COUNT RMS  WEIGHT    
REMARK   3    1     A   842    935       B   842    935    2912  0.11  0.05     
REMARK   3    2     A   842    935       C   842    935    2954  0.10  0.05     
REMARK   3    3     B   842    935       C   842    935    2917  0.11  0.05     
REMARK   3    4     D     3    123       E     3    123    3544  0.12  0.05     
REMARK   3    5     D     3    123       F     3    123    3725  0.08  0.05     
REMARK   3    6     E     3    124       F     3    124    3565  0.12  0.05     
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS                                                           
REMARK   4                                                                      
REMARK   4 6RVC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 31-MAY-19.                  
REMARK 100 THE DEPOSITION ID IS D_1292102578.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 29-JUL-18                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I24                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9686                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XIA2                               
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 42185                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 39.160                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY                : 8.600                              
REMARK 200  R MERGE                    (I) : 0.16400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 9.8000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.26                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 8.30                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.100                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 6DMY                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): NULL                                      
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M SODIUM NITRATE, 20% (W/V) PEG      
REMARK 280  3350, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K       
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       38.09000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       53.09000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       50.56000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       53.09000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       38.09000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       50.56000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3                                                 
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, E                                  
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: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, F                                  
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     GLU A   763                                                      
REMARK 465     THR A   764                                                      
REMARK 465     GLY A   765                                                      
REMARK 465     HIS A   766                                                      
REMARK 465     HIS A   767                                                      
REMARK 465     HIS A   768                                                      
REMARK 465     HIS A   769                                                      
REMARK 465     HIS A   770                                                      
REMARK 465     HIS A   771                                                      
REMARK 465     ARG A   772                                                      
REMARK 465     ASP A   773                                                      
REMARK 465     GLY A   774                                                      
REMARK 465     LEU A   775                                                      
REMARK 465     ASP A   776                                                      
REMARK 465     LEU A   777                                                      
REMARK 465     THR A   778                                                      
REMARK 465     ASP A   779                                                      
REMARK 465     ILE A   780                                                      
REMARK 465     VAL A   781                                                      
REMARK 465     PRO A   782                                                      
REMARK 465     ARG A   783                                                      
REMARK 465     GLU A   784                                                      
REMARK 465     THR A   785                                                      
REMARK 465     ARG A   786                                                      
REMARK 465     GLU A   787                                                      
REMARK 465     TYR A   788                                                      
REMARK 465     ASP A   789                                                      
REMARK 465     PHE A   790                                                      
REMARK 465     ILE A   791                                                      
REMARK 465     ALA A   792                                                      
REMARK 465     ALA A   793                                                      
REMARK 465     GLN A   794                                                      
REMARK 465     PHE A   795                                                      
REMARK 465     LYS A   796                                                      
REMARK 465     TYR A   797                                                      
REMARK 465     PHE A   798                                                      
REMARK 465     SER A   799                                                      
REMARK 465     PHE A   800                                                      
REMARK 465     TYR A   801                                                      
REMARK 465     ASN A   802                                                      
REMARK 465     MET A   803                                                      
REMARK 465     TYR A   804                                                      
REMARK 465     ILE A   805                                                      
REMARK 465     VAL A   806                                                      
REMARK 465     THR A   807                                                      
REMARK 465     GLN A   808                                                      
REMARK 465     LYS A   809                                                      
REMARK 465     ALA A   810                                                      
REMARK 465     ASP A   811                                                      
REMARK 465     TYR A   812                                                      
REMARK 465     PRO A   813                                                      
REMARK 465     ASN A   814                                                      
REMARK 465     ILE A   815                                                      
REMARK 465     GLN A   816                                                      
REMARK 465     HIS A   817                                                      
REMARK 465     LEU A   818                                                      
REMARK 465     LEU A   819                                                      
REMARK 465     TYR A   820                                                      
REMARK 465     ASP A   821                                                      
REMARK 465     LEU A   822                                                      
REMARK 465     HIS A   823                                                      
REMARK 465     ARG A   824                                                      
REMARK 465     SER A   825                                                      
REMARK 465     PHE A   826                                                      
REMARK 465     SER A   827                                                      
REMARK 465     ASN A   828                                                      
REMARK 465     VAL A   829                                                      
REMARK 465     LYS A   830                                                      
REMARK 465     TYR A   831                                                      
REMARK 465     VAL A   832                                                      
REMARK 465     MET A   833                                                      
REMARK 465     LEU A   834                                                      
REMARK 465     GLU A   835                                                      
REMARK 465     GLU A   836                                                      
REMARK 465     ASN A   837                                                      
REMARK 465     LYS A   838                                                      
REMARK 465     GLN A   839                                                      
REMARK 465     LEU A   840                                                      
REMARK 465     PRO A   841                                                      
REMARK 465     ALA A   936                                                      
REMARK 465     SER A   937                                                      
REMARK 465     GLN A   938                                                      
REMARK 465     ALA A   939                                                      
REMARK 465     ASN A   940                                                      
REMARK 465     ILE A   941                                                      
REMARK 465     ARG A   942                                                      
REMARK 465     PRO A   943                                                      
REMARK 465     HIS A   944                                                      
REMARK 465     ARG A   945                                                      
REMARK 465     PRO A   946                                                      
REMARK 465     GLU A   947                                                      
REMARK 465     TRP A   948                                                      
REMARK 465     VAL A   949                                                      
REMARK 465     HIS A   950                                                      
REMARK 465     ASP A   951                                                      
REMARK 465     LYS A   952                                                      
REMARK 465     ALA A   953                                                      
REMARK 465     ASP A   954                                                      
REMARK 465     TYR A   955                                                      
REMARK 465     MET A   956                                                      
REMARK 465     PRO A   957                                                      
REMARK 465     GLU A   958                                                      
REMARK 465     THR A   959                                                      
REMARK 465     ARG A   960                                                      
REMARK 465     LEU A   961                                                      
REMARK 465     ARG A   962                                                      
REMARK 465     ILE A   963                                                      
REMARK 465     PRO A   964                                                      
REMARK 465     ALA A   965                                                      
REMARK 465     ALA A   966                                                      
REMARK 465     GLU A   967                                                      
REMARK 465     PRO A   968                                                      
REMARK 465     ILE A   969                                                      
REMARK 465     GLU A   970                                                      
REMARK 465     TYR A   971                                                      
REMARK 465     ALA A   972                                                      
REMARK 465     GLN A   973                                                      
REMARK 465     PHE A   974                                                      
REMARK 465     PRO A   975                                                      
REMARK 465     PHE A   976                                                      
REMARK 465     TYR A   977                                                      
REMARK 465     LEU A   978                                                      
REMARK 465     ASN A   979                                                      
REMARK 465     GLY A   980                                                      
REMARK 465     LEU A   981                                                      
REMARK 465     ARG A   982                                                      
REMARK 465     ASP A   983                                                      
REMARK 465     THR A   984                                                      
REMARK 465     SER A   985                                                      
REMARK 465     ASP A   986                                                      
REMARK 465     PHE A   987                                                      
REMARK 465     VAL A   988                                                      
REMARK 465     GLU A   989                                                      
REMARK 465     ALA A   990                                                      
REMARK 465     ILE A   991                                                      
REMARK 465     GLU A   992                                                      
REMARK 465     LYS A   993                                                      
REMARK 465     VAL A   994                                                      
REMARK 465     ARG A   995                                                      
REMARK 465     THR A   996                                                      
REMARK 465     ILE A   997                                                      
REMARK 465     CYS A   998                                                      
REMARK 465     SER A   999                                                      
REMARK 465     ASN A  1000                                                      
REMARK 465     TYR A  1001                                                      
REMARK 465     THR A  1002                                                      
REMARK 465     SER A  1003                                                      
REMARK 465     LEU A  1004                                                      
REMARK 465     GLY A  1005                                                      
REMARK 465     LEU A  1006                                                      
REMARK 465     SER A  1007                                                      
REMARK 465     SER A  1008                                                      
REMARK 465     TYR A  1009                                                      
REMARK 465     PRO A  1010                                                      
REMARK 465     ASN A  1011                                                      
REMARK 465     GLY A  1012                                                      
REMARK 465     TYR A  1013                                                      
REMARK 465     PRO A  1014                                                      
REMARK 465     PHE A  1015                                                      
REMARK 465     LEU A  1016                                                      
REMARK 465     PHE A  1017                                                      
REMARK 465     TRP A  1018                                                      
REMARK 465     GLU A  1019                                                      
REMARK 465     GLN A  1020                                                      
REMARK 465     TYR A  1021                                                      
REMARK 465     ILE A  1022                                                      
REMARK 465     GLY A  1023                                                      
REMARK 465     GLU B   763                                                      
REMARK 465     THR B   764                                                      
REMARK 465     GLY B   765                                                      
REMARK 465     HIS B   766                                                      
REMARK 465     HIS B   767                                                      
REMARK 465     HIS B   768                                                      
REMARK 465     HIS B   769                                                      
REMARK 465     HIS B   770                                                      
REMARK 465     HIS B   771                                                      
REMARK 465     ARG B   772                                                      
REMARK 465     ASP B   773                                                      
REMARK 465     GLY B   774                                                      
REMARK 465     LEU B   775                                                      
REMARK 465     ASP B   776                                                      
REMARK 465     LEU B   777                                                      
REMARK 465     THR B   778                                                      
REMARK 465     ASP B   779                                                      
REMARK 465     ILE B   780                                                      
REMARK 465     VAL B   781                                                      
REMARK 465     PRO B   782                                                      
REMARK 465     ARG B   783                                                      
REMARK 465     GLU B   784                                                      
REMARK 465     THR B   785                                                      
REMARK 465     ARG B   786                                                      
REMARK 465     GLU B   787                                                      
REMARK 465     TYR B   788                                                      
REMARK 465     ASP B   789                                                      
REMARK 465     PHE B   790                                                      
REMARK 465     ILE B   791                                                      
REMARK 465     ALA B   792                                                      
REMARK 465     ALA B   793                                                      
REMARK 465     GLN B   794                                                      
REMARK 465     PHE B   795                                                      
REMARK 465     LYS B   796                                                      
REMARK 465     TYR B   797                                                      
REMARK 465     PHE B   798                                                      
REMARK 465     SER B   799                                                      
REMARK 465     PHE B   800                                                      
REMARK 465     TYR B   801                                                      
REMARK 465     ASN B   802                                                      
REMARK 465     MET B   803                                                      
REMARK 465     TYR B   804                                                      
REMARK 465     ILE B   805                                                      
REMARK 465     VAL B   806                                                      
REMARK 465     THR B   807                                                      
REMARK 465     GLN B   808                                                      
REMARK 465     LYS B   809                                                      
REMARK 465     ALA B   810                                                      
REMARK 465     ASP B   811                                                      
REMARK 465     TYR B   812                                                      
REMARK 465     PRO B   813                                                      
REMARK 465     ASN B   814                                                      
REMARK 465     ILE B   815                                                      
REMARK 465     GLN B   816                                                      
REMARK 465     HIS B   817                                                      
REMARK 465     LEU B   818                                                      
REMARK 465     LEU B   819                                                      
REMARK 465     TYR B   820                                                      
REMARK 465     ASP B   821                                                      
REMARK 465     LEU B   822                                                      
REMARK 465     HIS B   823                                                      
REMARK 465     ARG B   824                                                      
REMARK 465     SER B   825                                                      
REMARK 465     PHE B   826                                                      
REMARK 465     SER B   827                                                      
REMARK 465     ASN B   828                                                      
REMARK 465     VAL B   829                                                      
REMARK 465     LYS B   830                                                      
REMARK 465     TYR B   831                                                      
REMARK 465     VAL B   832                                                      
REMARK 465     MET B   833                                                      
REMARK 465     LEU B   834                                                      
REMARK 465     GLU B   835                                                      
REMARK 465     GLU B   836                                                      
REMARK 465     ASN B   837                                                      
REMARK 465     LYS B   838                                                      
REMARK 465     GLN B   839                                                      
REMARK 465     LEU B   840                                                      
REMARK 465     PRO B   841                                                      
REMARK 465     ALA B   936                                                      
REMARK 465     SER B   937                                                      
REMARK 465     GLN B   938                                                      
REMARK 465     ALA B   939                                                      
REMARK 465     ASN B   940                                                      
REMARK 465     ILE B   941                                                      
REMARK 465     ARG B   942                                                      
REMARK 465     PRO B   943                                                      
REMARK 465     HIS B   944                                                      
REMARK 465     ARG B   945                                                      
REMARK 465     PRO B   946                                                      
REMARK 465     GLU B   947                                                      
REMARK 465     TRP B   948                                                      
REMARK 465     VAL B   949                                                      
REMARK 465     HIS B   950                                                      
REMARK 465     ASP B   951                                                      
REMARK 465     LYS B   952                                                      
REMARK 465     ALA B   953                                                      
REMARK 465     ASP B   954                                                      
REMARK 465     TYR B   955                                                      
REMARK 465     MET B   956                                                      
REMARK 465     PRO B   957                                                      
REMARK 465     GLU B   958                                                      
REMARK 465     THR B   959                                                      
REMARK 465     ARG B   960                                                      
REMARK 465     LEU B   961                                                      
REMARK 465     ARG B   962                                                      
REMARK 465     ILE B   963                                                      
REMARK 465     PRO B   964                                                      
REMARK 465     ALA B   965                                                      
REMARK 465     ALA B   966                                                      
REMARK 465     GLU B   967                                                      
REMARK 465     PRO B   968                                                      
REMARK 465     ILE B   969                                                      
REMARK 465     GLU B   970                                                      
REMARK 465     TYR B   971                                                      
REMARK 465     ALA B   972                                                      
REMARK 465     GLN B   973                                                      
REMARK 465     PHE B   974                                                      
REMARK 465     PRO B   975                                                      
REMARK 465     PHE B   976                                                      
REMARK 465     TYR B   977                                                      
REMARK 465     LEU B   978                                                      
REMARK 465     ASN B   979                                                      
REMARK 465     GLY B   980                                                      
REMARK 465     LEU B   981                                                      
REMARK 465     ARG B   982                                                      
REMARK 465     ASP B   983                                                      
REMARK 465     THR B   984                                                      
REMARK 465     SER B   985                                                      
REMARK 465     ASP B   986                                                      
REMARK 465     PHE B   987                                                      
REMARK 465     VAL B   988                                                      
REMARK 465     GLU B   989                                                      
REMARK 465     ALA B   990                                                      
REMARK 465     ILE B   991                                                      
REMARK 465     GLU B   992                                                      
REMARK 465     LYS B   993                                                      
REMARK 465     VAL B   994                                                      
REMARK 465     ARG B   995                                                      
REMARK 465     THR B   996                                                      
REMARK 465     ILE B   997                                                      
REMARK 465     CYS B   998                                                      
REMARK 465     SER B   999                                                      
REMARK 465     ASN B  1000                                                      
REMARK 465     TYR B  1001                                                      
REMARK 465     THR B  1002                                                      
REMARK 465     SER B  1003                                                      
REMARK 465     LEU B  1004                                                      
REMARK 465     GLY B  1005                                                      
REMARK 465     LEU B  1006                                                      
REMARK 465     SER B  1007                                                      
REMARK 465     SER B  1008                                                      
REMARK 465     TYR B  1009                                                      
REMARK 465     PRO B  1010                                                      
REMARK 465     ASN B  1011                                                      
REMARK 465     GLY B  1012                                                      
REMARK 465     TYR B  1013                                                      
REMARK 465     PRO B  1014                                                      
REMARK 465     PHE B  1015                                                      
REMARK 465     LEU B  1016                                                      
REMARK 465     PHE B  1017                                                      
REMARK 465     TRP B  1018                                                      
REMARK 465     GLU B  1019                                                      
REMARK 465     GLN B  1020                                                      
REMARK 465     TYR B  1021                                                      
REMARK 465     ILE B  1022                                                      
REMARK 465     GLY B  1023                                                      
REMARK 465     GLU C   763                                                      
REMARK 465     THR C   764                                                      
REMARK 465     GLY C   765                                                      
REMARK 465     HIS C   766                                                      
REMARK 465     HIS C   767                                                      
REMARK 465     HIS C   768                                                      
REMARK 465     HIS C   769                                                      
REMARK 465     HIS C   770                                                      
REMARK 465     HIS C   771                                                      
REMARK 465     ARG C   772                                                      
REMARK 465     ASP C   773                                                      
REMARK 465     GLY C   774                                                      
REMARK 465     LEU C   775                                                      
REMARK 465     ASP C   776                                                      
REMARK 465     LEU C   777                                                      
REMARK 465     THR C   778                                                      
REMARK 465     ASP C   779                                                      
REMARK 465     ILE C   780                                                      
REMARK 465     VAL C   781                                                      
REMARK 465     PRO C   782                                                      
REMARK 465     ARG C   783                                                      
REMARK 465     GLU C   784                                                      
REMARK 465     THR C   785                                                      
REMARK 465     ARG C   786                                                      
REMARK 465     GLU C   787                                                      
REMARK 465     TYR C   788                                                      
REMARK 465     ASP C   789                                                      
REMARK 465     PHE C   790                                                      
REMARK 465     ILE C   791                                                      
REMARK 465     ALA C   792                                                      
REMARK 465     ALA C   793                                                      
REMARK 465     GLN C   794                                                      
REMARK 465     PHE C   795                                                      
REMARK 465     LYS C   796                                                      
REMARK 465     TYR C   797                                                      
REMARK 465     PHE C   798                                                      
REMARK 465     SER C   799                                                      
REMARK 465     PHE C   800                                                      
REMARK 465     TYR C   801                                                      
REMARK 465     ASN C   802                                                      
REMARK 465     MET C   803                                                      
REMARK 465     TYR C   804                                                      
REMARK 465     ILE C   805                                                      
REMARK 465     VAL C   806                                                      
REMARK 465     THR C   807                                                      
REMARK 465     GLN C   808                                                      
REMARK 465     LYS C   809                                                      
REMARK 465     ALA C   810                                                      
REMARK 465     ASP C   811                                                      
REMARK 465     TYR C   812                                                      
REMARK 465     PRO C   813                                                      
REMARK 465     ASN C   814                                                      
REMARK 465     ILE C   815                                                      
REMARK 465     GLN C   816                                                      
REMARK 465     HIS C   817                                                      
REMARK 465     LEU C   818                                                      
REMARK 465     LEU C   819                                                      
REMARK 465     TYR C   820                                                      
REMARK 465     ASP C   821                                                      
REMARK 465     LEU C   822                                                      
REMARK 465     HIS C   823                                                      
REMARK 465     ARG C   824                                                      
REMARK 465     SER C   825                                                      
REMARK 465     PHE C   826                                                      
REMARK 465     SER C   827                                                      
REMARK 465     ASN C   828                                                      
REMARK 465     VAL C   829                                                      
REMARK 465     LYS C   830                                                      
REMARK 465     TYR C   831                                                      
REMARK 465     VAL C   832                                                      
REMARK 465     MET C   833                                                      
REMARK 465     LEU C   834                                                      
REMARK 465     GLU C   835                                                      
REMARK 465     GLU C   836                                                      
REMARK 465     ASN C   837                                                      
REMARK 465     LYS C   838                                                      
REMARK 465     GLN C   839                                                      
REMARK 465     LEU C   840                                                      
REMARK 465     PRO C   841                                                      
REMARK 465     ALA C   936                                                      
REMARK 465     SER C   937                                                      
REMARK 465     GLN C   938                                                      
REMARK 465     ALA C   939                                                      
REMARK 465     ASN C   940                                                      
REMARK 465     ILE C   941                                                      
REMARK 465     ARG C   942                                                      
REMARK 465     PRO C   943                                                      
REMARK 465     HIS C   944                                                      
REMARK 465     ARG C   945                                                      
REMARK 465     PRO C   946                                                      
REMARK 465     GLU C   947                                                      
REMARK 465     TRP C   948                                                      
REMARK 465     VAL C   949                                                      
REMARK 465     HIS C   950                                                      
REMARK 465     ASP C   951                                                      
REMARK 465     LYS C   952                                                      
REMARK 465     ALA C   953                                                      
REMARK 465     ASP C   954                                                      
REMARK 465     TYR C   955                                                      
REMARK 465     MET C   956                                                      
REMARK 465     PRO C   957                                                      
REMARK 465     GLU C   958                                                      
REMARK 465     THR C   959                                                      
REMARK 465     ARG C   960                                                      
REMARK 465     LEU C   961                                                      
REMARK 465     ARG C   962                                                      
REMARK 465     ILE C   963                                                      
REMARK 465     PRO C   964                                                      
REMARK 465     ALA C   965                                                      
REMARK 465     ALA C   966                                                      
REMARK 465     GLU C   967                                                      
REMARK 465     PRO C   968                                                      
REMARK 465     ILE C   969                                                      
REMARK 465     GLU C   970                                                      
REMARK 465     TYR C   971                                                      
REMARK 465     ALA C   972                                                      
REMARK 465     GLN C   973                                                      
REMARK 465     PHE C   974                                                      
REMARK 465     PRO C   975                                                      
REMARK 465     PHE C   976                                                      
REMARK 465     TYR C   977                                                      
REMARK 465     LEU C   978                                                      
REMARK 465     ASN C   979                                                      
REMARK 465     GLY C   980                                                      
REMARK 465     LEU C   981                                                      
REMARK 465     ARG C   982                                                      
REMARK 465     ASP C   983                                                      
REMARK 465     THR C   984                                                      
REMARK 465     SER C   985                                                      
REMARK 465     ASP C   986                                                      
REMARK 465     PHE C   987                                                      
REMARK 465     VAL C   988                                                      
REMARK 465     GLU C   989                                                      
REMARK 465     ALA C   990                                                      
REMARK 465     ILE C   991                                                      
REMARK 465     GLU C   992                                                      
REMARK 465     LYS C   993                                                      
REMARK 465     VAL C   994                                                      
REMARK 465     ARG C   995                                                      
REMARK 465     THR C   996                                                      
REMARK 465     ILE C   997                                                      
REMARK 465     CYS C   998                                                      
REMARK 465     SER C   999                                                      
REMARK 465     ASN C  1000                                                      
REMARK 465     TYR C  1001                                                      
REMARK 465     THR C  1002                                                      
REMARK 465     SER C  1003                                                      
REMARK 465     LEU C  1004                                                      
REMARK 465     GLY C  1005                                                      
REMARK 465     LEU C  1006                                                      
REMARK 465     SER C  1007                                                      
REMARK 465     SER C  1008                                                      
REMARK 465     TYR C  1009                                                      
REMARK 465     PRO C  1010                                                      
REMARK 465     ASN C  1011                                                      
REMARK 465     GLY C  1012                                                      
REMARK 465     TYR C  1013                                                      
REMARK 465     PRO C  1014                                                      
REMARK 465     PHE C  1015                                                      
REMARK 465     LEU C  1016                                                      
REMARK 465     PHE C  1017                                                      
REMARK 465     TRP C  1018                                                      
REMARK 465     GLU C  1019                                                      
REMARK 465     GLN C  1020                                                      
REMARK 465     TYR C  1021                                                      
REMARK 465     ILE C  1022                                                      
REMARK 465     GLY C  1023                                                      
REMARK 465     GLN D     1                                                      
REMARK 465     HIS D   126                                                      
REMARK 465     HIS D   127                                                      
REMARK 465     HIS D   128                                                      
REMARK 465     HIS D   129                                                      
REMARK 465     HIS D   130                                                      
REMARK 465     GLU D   131                                                      
REMARK 465     PRO D   132                                                      
REMARK 465     GLU D   133                                                      
REMARK 465     ALA D   134                                                      
REMARK 465     GLN E     1                                                      
REMARK 465     VAL E     2                                                      
REMARK 465     HIS E   125                                                      
REMARK 465     HIS E   126                                                      
REMARK 465     HIS E   127                                                      
REMARK 465     HIS E   128                                                      
REMARK 465     HIS E   129                                                      
REMARK 465     HIS E   130                                                      
REMARK 465     GLU E   131                                                      
REMARK 465     PRO E   132                                                      
REMARK 465     GLU E   133                                                      
REMARK 465     ALA E   134                                                      
REMARK 465     GLN F     1                                                      
REMARK 465     VAL F     2                                                      
REMARK 465     HIS F   125                                                      
REMARK 465     HIS F   126                                                      
REMARK 465     HIS F   127                                                      
REMARK 465     HIS F   128                                                      
REMARK 465     HIS F   129                                                      
REMARK 465     HIS F   130                                                      
REMARK 465     GLU F   131                                                      
REMARK 465     PRO F   132                                                      
REMARK 465     GLU F   133                                                      
REMARK 465     ALA F   134                                                      
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     VAL D   2    CG1  CG2                                            
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   ND2  ASN A   875     O5   NAG A  1101              2.11            
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    ASN A 915      112.20    -37.44                                   
REMARK 500    ASN C 915      112.42    -38.61                                   
REMARK 500    ASP D 112      -62.31   -103.73                                   
REMARK 500    ASP E 112      -62.15   -106.17                                   
REMARK 500    ASP F 112      -63.46   -104.75                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  6RVC A  772  1023  UNP    Q13635   PTC1_HUMAN     772   1023             
DBREF  6RVC B  772  1023  UNP    Q13635   PTC1_HUMAN     772   1023             
DBREF  6RVC C  772  1023  UNP    Q13635   PTC1_HUMAN     772   1023             
DBREF  6RVC D    1   134  PDB    6RVC     6RVC             1    134             
DBREF  6RVC E    1   134  PDB    6RVC     6RVC             1    134             
DBREF  6RVC F    1   134  PDB    6RVC     6RVC             1    134             
SEQADV 6RVC GLU A  763  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC THR A  764  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC GLY A  765  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS A  766  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS A  767  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS A  768  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS A  769  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS A  770  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS A  771  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC GLU B  763  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC THR B  764  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC GLY B  765  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS B  766  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS B  767  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS B  768  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS B  769  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS B  770  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS B  771  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC GLU C  763  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC THR C  764  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC GLY C  765  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS C  766  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS C  767  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS C  768  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS C  769  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS C  770  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6RVC HIS C  771  UNP  Q13635              EXPRESSION TAG                 
SEQRES   1 A  261  GLU THR GLY HIS HIS HIS HIS HIS HIS ARG ASP GLY LEU          
SEQRES   2 A  261  ASP LEU THR ASP ILE VAL PRO ARG GLU THR ARG GLU TYR          
SEQRES   3 A  261  ASP PHE ILE ALA ALA GLN PHE LYS TYR PHE SER PHE TYR          
SEQRES   4 A  261  ASN MET TYR ILE VAL THR GLN LYS ALA ASP TYR PRO ASN          
SEQRES   5 A  261  ILE GLN HIS LEU LEU TYR ASP LEU HIS ARG SER PHE SER          
SEQRES   6 A  261  ASN VAL LYS TYR VAL MET LEU GLU GLU ASN LYS GLN LEU          
SEQRES   7 A  261  PRO LYS MET TRP LEU HIS TYR PHE ARG ASP TRP LEU GLN          
SEQRES   8 A  261  GLY LEU GLN ASP ALA PHE ASP SER ASP TRP GLU THR GLY          
SEQRES   9 A  261  LYS ILE MET PRO ASN ASN TYR LYS ASN GLY SER ASP ASP          
SEQRES  10 A  261  GLY VAL LEU ALA TYR LYS LEU LEU VAL GLN THR GLY SER          
SEQRES  11 A  261  ARG ASP LYS PRO ILE ASP ILE SER GLN LEU THR LYS GLN          
SEQRES  12 A  261  ARG LEU VAL ASP ALA ASP GLY ILE ILE ASN PRO SER ALA          
SEQRES  13 A  261  PHE TYR ILE TYR LEU THR ALA TRP VAL SER ASN ASP PRO          
SEQRES  14 A  261  VAL ALA TYR ALA ALA SER GLN ALA ASN ILE ARG PRO HIS          
SEQRES  15 A  261  ARG PRO GLU TRP VAL HIS ASP LYS ALA ASP TYR MET PRO          
SEQRES  16 A  261  GLU THR ARG LEU ARG ILE PRO ALA ALA GLU PRO ILE GLU          
SEQRES  17 A  261  TYR ALA GLN PHE PRO PHE TYR LEU ASN GLY LEU ARG ASP          
SEQRES  18 A  261  THR SER ASP PHE VAL GLU ALA ILE GLU LYS VAL ARG THR          
SEQRES  19 A  261  ILE CYS SER ASN TYR THR SER LEU GLY LEU SER SER TYR          
SEQRES  20 A  261  PRO ASN GLY TYR PRO PHE LEU PHE TRP GLU GLN TYR ILE          
SEQRES  21 A  261  GLY                                                          
SEQRES   1 B  261  GLU THR GLY HIS HIS HIS HIS HIS HIS ARG ASP GLY LEU          
SEQRES   2 B  261  ASP LEU THR ASP ILE VAL PRO ARG GLU THR ARG GLU TYR          
SEQRES   3 B  261  ASP PHE ILE ALA ALA GLN PHE LYS TYR PHE SER PHE TYR          
SEQRES   4 B  261  ASN MET TYR ILE VAL THR GLN LYS ALA ASP TYR PRO ASN          
SEQRES   5 B  261  ILE GLN HIS LEU LEU TYR ASP LEU HIS ARG SER PHE SER          
SEQRES   6 B  261  ASN VAL LYS TYR VAL MET LEU GLU GLU ASN LYS GLN LEU          
SEQRES   7 B  261  PRO LYS MET TRP LEU HIS TYR PHE ARG ASP TRP LEU GLN          
SEQRES   8 B  261  GLY LEU GLN ASP ALA PHE ASP SER ASP TRP GLU THR GLY          
SEQRES   9 B  261  LYS ILE MET PRO ASN ASN TYR LYS ASN GLY SER ASP ASP          
SEQRES  10 B  261  GLY VAL LEU ALA TYR LYS LEU LEU VAL GLN THR GLY SER          
SEQRES  11 B  261  ARG ASP LYS PRO ILE ASP ILE SER GLN LEU THR LYS GLN          
SEQRES  12 B  261  ARG LEU VAL ASP ALA ASP GLY ILE ILE ASN PRO SER ALA          
SEQRES  13 B  261  PHE TYR ILE TYR LEU THR ALA TRP VAL SER ASN ASP PRO          
SEQRES  14 B  261  VAL ALA TYR ALA ALA SER GLN ALA ASN ILE ARG PRO HIS          
SEQRES  15 B  261  ARG PRO GLU TRP VAL HIS ASP LYS ALA ASP TYR MET PRO          
SEQRES  16 B  261  GLU THR ARG LEU ARG ILE PRO ALA ALA GLU PRO ILE GLU          
SEQRES  17 B  261  TYR ALA GLN PHE PRO PHE TYR LEU ASN GLY LEU ARG ASP          
SEQRES  18 B  261  THR SER ASP PHE VAL GLU ALA ILE GLU LYS VAL ARG THR          
SEQRES  19 B  261  ILE CYS SER ASN TYR THR SER LEU GLY LEU SER SER TYR          
SEQRES  20 B  261  PRO ASN GLY TYR PRO PHE LEU PHE TRP GLU GLN TYR ILE          
SEQRES  21 B  261  GLY                                                          
SEQRES   1 C  261  GLU THR GLY HIS HIS HIS HIS HIS HIS ARG ASP GLY LEU          
SEQRES   2 C  261  ASP LEU THR ASP ILE VAL PRO ARG GLU THR ARG GLU TYR          
SEQRES   3 C  261  ASP PHE ILE ALA ALA GLN PHE LYS TYR PHE SER PHE TYR          
SEQRES   4 C  261  ASN MET TYR ILE VAL THR GLN LYS ALA ASP TYR PRO ASN          
SEQRES   5 C  261  ILE GLN HIS LEU LEU TYR ASP LEU HIS ARG SER PHE SER          
SEQRES   6 C  261  ASN VAL LYS TYR VAL MET LEU GLU GLU ASN LYS GLN LEU          
SEQRES   7 C  261  PRO LYS MET TRP LEU HIS TYR PHE ARG ASP TRP LEU GLN          
SEQRES   8 C  261  GLY LEU GLN ASP ALA PHE ASP SER ASP TRP GLU THR GLY          
SEQRES   9 C  261  LYS ILE MET PRO ASN ASN TYR LYS ASN GLY SER ASP ASP          
SEQRES  10 C  261  GLY VAL LEU ALA TYR LYS LEU LEU VAL GLN THR GLY SER          
SEQRES  11 C  261  ARG ASP LYS PRO ILE ASP ILE SER GLN LEU THR LYS GLN          
SEQRES  12 C  261  ARG LEU VAL ASP ALA ASP GLY ILE ILE ASN PRO SER ALA          
SEQRES  13 C  261  PHE TYR ILE TYR LEU THR ALA TRP VAL SER ASN ASP PRO          
SEQRES  14 C  261  VAL ALA TYR ALA ALA SER GLN ALA ASN ILE ARG PRO HIS          
SEQRES  15 C  261  ARG PRO GLU TRP VAL HIS ASP LYS ALA ASP TYR MET PRO          
SEQRES  16 C  261  GLU THR ARG LEU ARG ILE PRO ALA ALA GLU PRO ILE GLU          
SEQRES  17 C  261  TYR ALA GLN PHE PRO PHE TYR LEU ASN GLY LEU ARG ASP          
SEQRES  18 C  261  THR SER ASP PHE VAL GLU ALA ILE GLU LYS VAL ARG THR          
SEQRES  19 C  261  ILE CYS SER ASN TYR THR SER LEU GLY LEU SER SER TYR          
SEQRES  20 C  261  PRO ASN GLY TYR PRO PHE LEU PHE TRP GLU GLN TYR ILE          
SEQRES  21 C  261  GLY                                                          
SEQRES   1 D  134  GLN VAL GLN LEU GLN GLU SER GLY GLY GLY LEU VAL GLN          
SEQRES   2 D  134  ALA GLY ASP SER LEU THR LEU SER CYS ALA ALA SER GLY          
SEQRES   3 D  134  ARG THR PHE SER SER TYR THR MET GLY TRP PHE ARG GLN          
SEQRES   4 D  134  ALA PRO GLY LYS GLU ARG ASP PHE ILE ALA GLY ILE THR          
SEQRES   5 D  134  SER THR GLY SER SER THR TYR TYR ALA ASP SER VAL LYS          
SEQRES   6 D  134  GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS ASN THR          
SEQRES   7 D  134  VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP THR          
SEQRES   8 D  134  ALA ASP TYR TYR CYS ALA ARG LYS VAL ALA GLY GLY SER          
SEQRES   9 D  134  TYR TYR GLN LYS ASP LYS TYR ASP TYR TRP GLY GLN GLY          
SEQRES  10 D  134  THR GLN VAL THR VAL SER SER HIS HIS HIS HIS HIS HIS          
SEQRES  11 D  134  GLU PRO GLU ALA                                              
SEQRES   1 E  134  GLN VAL GLN LEU GLN GLU SER GLY GLY GLY LEU VAL GLN          
SEQRES   2 E  134  ALA GLY ASP SER LEU THR LEU SER CYS ALA ALA SER GLY          
SEQRES   3 E  134  ARG THR PHE SER SER TYR THR MET GLY TRP PHE ARG GLN          
SEQRES   4 E  134  ALA PRO GLY LYS GLU ARG ASP PHE ILE ALA GLY ILE THR          
SEQRES   5 E  134  SER THR GLY SER SER THR TYR TYR ALA ASP SER VAL LYS          
SEQRES   6 E  134  GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS ASN THR          
SEQRES   7 E  134  VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP THR          
SEQRES   8 E  134  ALA ASP TYR TYR CYS ALA ARG LYS VAL ALA GLY GLY SER          
SEQRES   9 E  134  TYR TYR GLN LYS ASP LYS TYR ASP TYR TRP GLY GLN GLY          
SEQRES  10 E  134  THR GLN VAL THR VAL SER SER HIS HIS HIS HIS HIS HIS          
SEQRES  11 E  134  GLU PRO GLU ALA                                              
SEQRES   1 F  134  GLN VAL GLN LEU GLN GLU SER GLY GLY GLY LEU VAL GLN          
SEQRES   2 F  134  ALA GLY ASP SER LEU THR LEU SER CYS ALA ALA SER GLY          
SEQRES   3 F  134  ARG THR PHE SER SER TYR THR MET GLY TRP PHE ARG GLN          
SEQRES   4 F  134  ALA PRO GLY LYS GLU ARG ASP PHE ILE ALA GLY ILE THR          
SEQRES   5 F  134  SER THR GLY SER SER THR TYR TYR ALA ASP SER VAL LYS          
SEQRES   6 F  134  GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS ASN THR          
SEQRES   7 F  134  VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP THR          
SEQRES   8 F  134  ALA ASP TYR TYR CYS ALA ARG LYS VAL ALA GLY GLY SER          
SEQRES   9 F  134  TYR TYR GLN LYS ASP LYS TYR ASP TYR TRP GLY GLN GLY          
SEQRES  10 F  134  THR GLN VAL THR VAL SER SER HIS HIS HIS HIS HIS HIS          
SEQRES  11 F  134  GLU PRO GLU ALA                                              
HET    NAG  A1101      14                                                       
HET    NAG  C1101      14                                                       
HET    SO4  C1102       5                                                       
HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
HETNAM     SO4 SULFATE ION                                                      
FORMUL   7  NAG    2(C8 H15 N O6)                                               
FORMUL   9  SO4    O4 S 2-                                                      
FORMUL  10  HOH   *202(H2 O)                                                    
HELIX    1 AA1 MET A  843  THR A  865  1                                  23    
HELIX    2 AA2 SER A  877  VAL A  888  1                                  12    
HELIX    3 AA3 ASP A  898  LYS A  904  5                                   7    
HELIX    4 AA4 ALA A  918  ASP A  930  1                                  13    
HELIX    5 AA5 PRO A  931  ALA A  935  5                                   5    
HELIX    6 AA6 MET B  843  THR B  865  1                                  23    
HELIX    7 AA7 SER B  877  VAL B  888  1                                  12    
HELIX    8 AA8 ASP B  898  LYS B  904  5                                   7    
HELIX    9 AA9 ALA B  918  ASP B  930  1                                  13    
HELIX   10 AB1 PRO B  931  ALA B  935  5                                   5    
HELIX   11 AB2 MET C  843  THR C  865  1                                  23    
HELIX   12 AB3 SER C  877  VAL C  888  1                                  12    
HELIX   13 AB4 SER C  900  GLN C  905  1                                   6    
HELIX   14 AB5 ALA C  918  ASP C  930  1                                  13    
HELIX   15 AB6 PRO C  931  ALA C  935  5                                   5    
HELIX   16 AB7 THR D   28  TYR D   32  5                                   5    
HELIX   17 AB8 ASN D   74  LYS D   76  5                                   3    
HELIX   18 AB9 LYS D   87  THR D   91  5                                   5    
HELIX   19 AC1 GLN D  107  ASP D  109  5                                   3    
HELIX   20 AC2 THR E   28  TYR E   32  5                                   5    
HELIX   21 AC3 ASN E   74  LYS E   76  5                                   3    
HELIX   22 AC4 LYS E   87  THR E   91  5                                   5    
HELIX   23 AC5 GLN E  107  ASP E  109  5                                   3    
HELIX   24 AC6 THR F   28  TYR F   32  5                                   5    
HELIX   25 AC7 ASN F   74  LYS F   76  5                                   3    
HELIX   26 AC8 LYS F   87  THR F   91  5                                   5    
HELIX   27 AC9 GLN F  107  ASP F  109  5                                   3    
SHEET    1 AA1 4 LEU D   4  SER D   7  0                                        
SHEET    2 AA1 4 LEU D  18  ALA D  24 -1  O  SER D  21   N  SER D   7           
SHEET    3 AA1 4 THR D  78  MET D  83 -1  O  MET D  83   N  LEU D  18           
SHEET    4 AA1 4 PHE D  68  ASP D  73 -1  N  THR D  69   O  GLN D  82           
SHEET    1 AA2 6 GLY D  10  GLN D  13  0                                        
SHEET    2 AA2 6 THR D 118  SER D 123  1  O  THR D 121   N  VAL D  12           
SHEET    3 AA2 6 ALA D  92  LYS D  99 -1  N  TYR D  94   O  THR D 118           
SHEET    4 AA2 6 MET D  34  GLN D  39 -1  N  PHE D  37   O  TYR D  95           
SHEET    5 AA2 6 ARG D  45  ILE D  51 -1  O  ALA D  49   N  TRP D  36           
SHEET    6 AA2 6 THR D  58  TYR D  60 -1  O  TYR D  59   N  GLY D  50           
SHEET    1 AA3 4 GLY D  10  GLN D  13  0                                        
SHEET    2 AA3 4 THR D 118  SER D 123  1  O  THR D 121   N  VAL D  12           
SHEET    3 AA3 4 ALA D  92  LYS D  99 -1  N  TYR D  94   O  THR D 118           
SHEET    4 AA3 4 TYR D 111  TRP D 114 -1  O  TYR D 113   N  ARG D  98           
SHEET    1 AA4 4 LEU E   4  SER E   7  0                                        
SHEET    2 AA4 4 LEU E  18  ALA E  24 -1  O  SER E  21   N  SER E   7           
SHEET    3 AA4 4 THR E  78  MET E  83 -1  O  MET E  83   N  LEU E  18           
SHEET    4 AA4 4 PHE E  68  ASP E  73 -1  N  ASP E  73   O  THR E  78           
SHEET    1 AA5 6 GLY E  10  GLN E  13  0                                        
SHEET    2 AA5 6 THR E 118  SER E 123  1  O  THR E 121   N  VAL E  12           
SHEET    3 AA5 6 ALA E  92  LYS E  99 -1  N  TYR E  94   O  THR E 118           
SHEET    4 AA5 6 MET E  34  GLN E  39 -1  N  PHE E  37   O  TYR E  95           
SHEET    5 AA5 6 ARG E  45  ILE E  51 -1  O  ALA E  49   N  TRP E  36           
SHEET    6 AA5 6 THR E  58  TYR E  60 -1  O  TYR E  59   N  GLY E  50           
SHEET    1 AA6 4 GLY E  10  GLN E  13  0                                        
SHEET    2 AA6 4 THR E 118  SER E 123  1  O  THR E 121   N  VAL E  12           
SHEET    3 AA6 4 ALA E  92  LYS E  99 -1  N  TYR E  94   O  THR E 118           
SHEET    4 AA6 4 TYR E 111  TRP E 114 -1  O  ASP E 112   N  ARG E  98           
SHEET    1 AA7 4 LEU F   4  SER F   7  0                                        
SHEET    2 AA7 4 LEU F  18  ALA F  24 -1  O  SER F  21   N  SER F   7           
SHEET    3 AA7 4 THR F  78  MET F  83 -1  O  MET F  83   N  LEU F  18           
SHEET    4 AA7 4 PHE F  68  ASP F  73 -1  N  THR F  69   O  GLN F  82           
SHEET    1 AA8 6 GLY F  10  GLN F  13  0                                        
SHEET    2 AA8 6 THR F 118  SER F 123  1  O  THR F 121   N  VAL F  12           
SHEET    3 AA8 6 ALA F  92  LYS F  99 -1  N  TYR F  94   O  THR F 118           
SHEET    4 AA8 6 MET F  34  GLN F  39 -1  N  PHE F  37   O  TYR F  95           
SHEET    5 AA8 6 ARG F  45  ILE F  51 -1  O  ALA F  49   N  TRP F  36           
SHEET    6 AA8 6 THR F  58  TYR F  60 -1  O  TYR F  59   N  GLY F  50           
SHEET    1 AA9 4 GLY F  10  GLN F  13  0                                        
SHEET    2 AA9 4 THR F 118  SER F 123  1  O  THR F 121   N  VAL F  12           
SHEET    3 AA9 4 ALA F  92  LYS F  99 -1  N  TYR F  94   O  THR F 118           
SHEET    4 AA9 4 TYR F 111  TRP F 114 -1  O  TYR F 113   N  ARG F  98           
SSBOND   1 CYS D   22    CYS D   96                          1555   1555  2.01  
SSBOND   2 CYS E   22    CYS E   96                          1555   1555  2.10  
SSBOND   3 CYS F   22    CYS F   96                          1555   1555  2.03  
LINK         ND2 ASN A 875                 C1  NAG A1101     1555   1555  1.43  
LINK         ND2 ASN C 875                 C1  NAG C1101     1555   1555  1.43  
CRYST1   76.180  101.120  106.180  90.00  90.00  90.00 P 21 21 21   12          
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      0.013127  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.009889  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009418        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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