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Database: PDB
Entry: 2XVT
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Original site: 2XVT 
HEADER    MEMBRANE PROTEIN                        31-OCT-10   2XVT              
TITLE     STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN RAMP2                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RECEPTOR ACTIVITY-MODIFYING PROTEIN 2;                     
COMPND   3 CHAIN: A, B, C, D, E, F;                                             
COMPND   4 FRAGMENT: EXTRACELLULAR DOMAIN, RESIDUES 48-139;                     
COMPND   5 SYNONYM: CALCITONIN-RECEPTOR-LIKE RECEPTOR ACTIVITY-MODIFYING PROTEIN
COMPND   6 2, CRLR ACTIVITY-MODIFYING PROTEIN 2, RAMP2;                         
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VARIANT: R3-PRARE2;                                
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PNIC28-BSA4                               
KEYWDS    MEMBRANE PROTEIN, TRANSMEMBRANE, RECEPTOR TRANSPORT, PROTEIN-         
KEYWDS   2 TRAFFICKING, GPCR, CRLR, CGRP, ADRENOMEDULIN                         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.QUIGLEY,A.C.W.PIKE,N.BURGESS-BROWN,T.KROJER,L.SHRESTHA,S.GOUBIN,    
AUTHOR   2 J.KIM,S.DAS,J.R.C.MUNIZ,P.CANNING,A.CHAIKUAD,M.VOLLMAR,F.VON DELFT,  
AUTHOR   3 C.H.ARROWSMITH,J.WEIGELT,A.M.EDWARDS,C.BOUNTRA,A.J.BARR,             
AUTHOR   4 E.P.CARPENTER                                                        
REVDAT   4   24-JAN-18 2XVT    1       JRNL                                     
REVDAT   3   10-DEC-14 2XVT    1       REMARK VERSN                             
REVDAT   2   06-MAR-13 2XVT    1       REMARK                                   
REVDAT   1   29-DEC-10 2XVT    0                                                
JRNL        AUTH   A.QUIGLEY,A.C.W.PIKE,N.BURGESS-BROWN,T.KROJER,L.SHRESTHA,    
JRNL        AUTH 2 S.GOUBIN,J.KIM,S.DAS,J.R.C.MUNIZ,P.CANNING,A.CHAIKUAD,       
JRNL        AUTH 3 M.VOLLMAR,F.VON DELFT,C.H.ARROWSMITH,J.WEIGELT,A.M.EDWARDS,  
JRNL        AUTH 4 C.BOUNTRA,A.J.BARR,E.P.CARPENTER                             
JRNL        TITL   STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN RAMP2         
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.05 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0110                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.05                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 64.71                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 30525                          
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) : 0.199                           
REMARK   3   R VALUE            (WORKING SET) : 0.197                           
REMARK   3   FREE R VALUE                     : 0.246                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1627                            
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) : 2.05                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.10                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 2192                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 98.72                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3220                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 127                          
REMARK   3   BIN FREE R VALUE                    : 0.3390                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 3924                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 3                                       
REMARK   3   SOLVENT ATOMS            : 228                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 22.24                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 21.32                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.74000                                             
REMARK   3    B22 (A**2) : 2.04000                                              
REMARK   3    B33 (A**2) : -0.30000                                             
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): 0.226         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.190         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.143         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 10.876        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.958                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.934                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  4092 ; 0.016 ; 0.021       
REMARK   3   BOND LENGTHS OTHERS               (A):  2724 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  5579 ; 1.559 ; 1.906       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  6551 ; 1.477 ; 3.007       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   463 ; 6.210 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   234 ;35.658 ;24.103       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   629 ;14.007 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    21 ;14.590 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   564 ; 0.105 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  4560 ; 0.008 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):   911 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):   859 ; 0.224 ; 0.200       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  2640 ; 0.170 ; 0.200       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  1986 ; 0.193 ; 0.200       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  1840 ; 0.090 ; 0.200       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):   199 ; 0.187 ; 0.200       
REMARK   3   H-BOND (X...Y) OTHERS             (A):     1 ; 0.022 ; 0.200       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):    12 ; 0.162 ; 0.200       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):    24 ; 0.200 ; 0.200       
REMARK   3   SYMMETRY VDW OTHERS               (A):    55 ; 0.183 ; 0.200       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):    18 ; 0.145 ; 0.200       
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):  2359 ; 2.365 ; 3.000       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):   912 ; 0.844 ; 3.000       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  3831 ; 3.332 ; 5.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  1733 ; 5.463 ; 8.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  1748 ; 6.767 ;11.000       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  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   NUMBER OF DIFFERENT NCS GROUPS : 11                                
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 1                                  
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A     61       A      69      2                      
REMARK   3           1     B     61       B      69      2                      
REMARK   3           1     C     61       C      69      2                      
REMARK   3           1     D     61       D      69      2                      
REMARK   3           1     E     61       E      69      2                      
REMARK   3           1     F     61       F      69      2                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   TIGHT POSITIONAL   1    A    (A):     54 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   1    B    (A):     54 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   1    C    (A):     54 ;  0.10 ; 10.00           
REMARK   3   TIGHT POSITIONAL   1    D    (A):     54 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   1    E    (A):     54 ;  0.08 ; 10.00           
REMARK   3   TIGHT POSITIONAL   1    F    (A):     54 ;  0.08 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  1    A    (A):     78 ;  0.19 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  1    B    (A):     78 ;  0.18 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  1    C    (A):     78 ;  0.21 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  1    D    (A):     78 ;  0.25 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  1    E    (A):     78 ;  0.18 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  1    F    (A):     78 ;  0.18 ; 10.00           
REMARK   3   TIGHT THERMAL      1    A (A**2):     54 ;  1.87 ; 10.00           
REMARK   3   TIGHT THERMAL      1    B (A**2):     54 ;  1.57 ; 10.00           
REMARK   3   TIGHT THERMAL      1    C (A**2):     54 ;  1.64 ; 10.00           
REMARK   3   TIGHT THERMAL      1    D (A**2):     54 ;  1.59 ; 10.00           
REMARK   3   TIGHT THERMAL      1    E (A**2):     54 ;  1.38 ; 10.00           
REMARK   3   TIGHT THERMAL      1    F (A**2):     54 ;  1.41 ; 10.00           
REMARK   3   MEDIUM THERMAL     1    A (A**2):     78 ;  3.16 ; 10.00           
REMARK   3   MEDIUM THERMAL     1    B (A**2):     78 ;  3.77 ; 10.00           
REMARK   3   MEDIUM THERMAL     1    C (A**2):     78 ;  3.69 ; 10.00           
REMARK   3   MEDIUM THERMAL     1    D (A**2):     78 ;  3.10 ; 10.00           
REMARK   3   MEDIUM THERMAL     1    E (A**2):     78 ;  3.20 ; 10.00           
REMARK   3   MEDIUM THERMAL     1    F (A**2):     78 ;  2.71 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 2                                  
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A     70       A      71      5                      
REMARK   3           1     B     70       B      71      5                      
REMARK   3           1     C     70       C      71      5                      
REMARK   3           1     D     70       D      71      5                      
REMARK   3           1     E     70       E      71      5                      
REMARK   3           1     F     70       F      71      5                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   MEDIUM POSITIONAL  2    A    (A):     12 ;  0.54 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  2    B    (A):     12 ;  0.29 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  2    C    (A):     12 ;  0.31 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  2    D    (A):     12 ;  0.25 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  2    E    (A):     12 ;  0.58 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  2    F    (A):     12 ;  0.33 ; 10.00           
REMARK   3   LOOSE POSITIONAL   2    A    (A):     16 ;  1.31 ; 10.00           
REMARK   3   LOOSE POSITIONAL   2    B    (A):     16 ;  0.62 ; 10.00           
REMARK   3   LOOSE POSITIONAL   2    C    (A):     16 ;  0.63 ; 10.00           
REMARK   3   LOOSE POSITIONAL   2    D    (A):     16 ;  0.66 ; 10.00           
REMARK   3   LOOSE POSITIONAL   2    E    (A):     16 ;  1.22 ; 10.00           
REMARK   3   LOOSE POSITIONAL   2    F    (A):     16 ;  0.64 ; 10.00           
REMARK   3   MEDIUM THERMAL     2    A (A**2):     12 ;  4.00 ; 10.00           
REMARK   3   MEDIUM THERMAL     2    B (A**2):     12 ;  1.55 ; 10.00           
REMARK   3   MEDIUM THERMAL     2    C (A**2):     12 ;  1.67 ; 10.00           
REMARK   3   MEDIUM THERMAL     2    D (A**2):     12 ;  3.09 ; 10.00           
REMARK   3   MEDIUM THERMAL     2    E (A**2):     12 ;  2.57 ; 10.00           
REMARK   3   MEDIUM THERMAL     2    F (A**2):     12 ;  2.04 ; 10.00           
REMARK   3   LOOSE THERMAL      2    A (A**2):     16 ;  4.23 ; 10.00           
REMARK   3   LOOSE THERMAL      2    B (A**2):     16 ;  5.98 ; 10.00           
REMARK   3   LOOSE THERMAL      2    C (A**2):     16 ;  2.44 ; 10.00           
REMARK   3   LOOSE THERMAL      2    D (A**2):     16 ;  4.21 ; 10.00           
REMARK   3   LOOSE THERMAL      2    E (A**2):     16 ;  4.31 ; 10.00           
REMARK   3   LOOSE THERMAL      2    F (A**2):     16 ;  4.04 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 3                                  
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A     72       A      76      2                      
REMARK   3           1     B     72       B      76      2                      
REMARK   3           1     C     72       C      76      2                      
REMARK   3           1     D     72       D      76      2                      
REMARK   3           1     E     72       E      76      2                      
REMARK   3           1     F     72       F      76      2                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   TIGHT POSITIONAL   3    A    (A):     30 ;  0.16 ; 10.00           
REMARK   3   TIGHT POSITIONAL   3    B    (A):     30 ;  0.07 ; 10.00           
REMARK   3   TIGHT POSITIONAL   3    C    (A):     30 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   3    D    (A):     30 ;  0.11 ; 10.00           
REMARK   3   TIGHT POSITIONAL   3    E    (A):     30 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   3    F    (A):     30 ;  0.12 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  3    A    (A):     41 ;  0.28 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  3    B    (A):     41 ;  0.18 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  3    C    (A):     41 ;  0.17 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  3    D    (A):     41 ;  0.15 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  3    E    (A):     41 ;  0.19 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  3    F    (A):     41 ;  0.18 ; 10.00           
REMARK   3   TIGHT THERMAL      3    A (A**2):     30 ;  3.54 ; 10.00           
REMARK   3   TIGHT THERMAL      3    B (A**2):     30 ;  1.77 ; 10.00           
REMARK   3   TIGHT THERMAL      3    C (A**2):     30 ;  2.89 ; 10.00           
REMARK   3   TIGHT THERMAL      3    D (A**2):     30 ;  2.03 ; 10.00           
REMARK   3   TIGHT THERMAL      3    E (A**2):     30 ;  3.18 ; 10.00           
REMARK   3   TIGHT THERMAL      3    F (A**2):     30 ;  2.71 ; 10.00           
REMARK   3   MEDIUM THERMAL     3    A (A**2):     41 ;  4.42 ; 10.00           
REMARK   3   MEDIUM THERMAL     3    B (A**2):     41 ;  1.99 ; 10.00           
REMARK   3   MEDIUM THERMAL     3    C (A**2):     41 ;  3.41 ; 10.00           
REMARK   3   MEDIUM THERMAL     3    D (A**2):     41 ;  2.97 ; 10.00           
REMARK   3   MEDIUM THERMAL     3    E (A**2):     41 ;  4.19 ; 10.00           
REMARK   3   MEDIUM THERMAL     3    F (A**2):     41 ;  3.23 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 4                                  
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A     77       A      80      6                      
REMARK   3           1     B     77       B      80      6                      
REMARK   3           1     C     77       C      80      6                      
REMARK   3           1     D     77       D      80      6                      
REMARK   3           1     E     77       E      80      6                      
REMARK   3           1     F     77       F      80      6                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   LOOSE POSITIONAL   4    A    (A):     54 ;  0.26 ; 10.00           
REMARK   3   LOOSE POSITIONAL   4    B    (A):     54 ;  0.23 ; 10.00           
REMARK   3   LOOSE POSITIONAL   4    C    (A):     54 ;  0.46 ; 10.00           
REMARK   3   LOOSE POSITIONAL   4    D    (A):     54 ;  0.25 ; 10.00           
REMARK   3   LOOSE POSITIONAL   4    E    (A):     54 ;  0.27 ; 10.00           
REMARK   3   LOOSE POSITIONAL   4    F    (A):     54 ;  0.39 ; 10.00           
REMARK   3   LOOSE THERMAL      4    A (A**2):     54 ;  2.40 ; 10.00           
REMARK   3   LOOSE THERMAL      4    B (A**2):     54 ;  3.09 ; 10.00           
REMARK   3   LOOSE THERMAL      4    C (A**2):     54 ;  3.10 ; 10.00           
REMARK   3   LOOSE THERMAL      4    D (A**2):     54 ;  2.77 ; 10.00           
REMARK   3   LOOSE THERMAL      4    E (A**2):     54 ;  3.04 ; 10.00           
REMARK   3   LOOSE THERMAL      4    F (A**2):     54 ;  3.03 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 5                                  
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A     81       A      87      2                      
REMARK   3           1     B     81       B      87      2                      
REMARK   3           1     C     81       C      87      2                      
REMARK   3           1     D     81       D      87      2                      
REMARK   3           1     E     81       E      87      2                      
REMARK   3           1     F     81       F      87      2                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   TIGHT POSITIONAL   5    A    (A):     42 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   5    B    (A):     42 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   5    C    (A):     42 ;  0.13 ; 10.00           
REMARK   3   TIGHT POSITIONAL   5    D    (A):     42 ;  0.11 ; 10.00           
REMARK   3   TIGHT POSITIONAL   5    E    (A):     42 ;  0.12 ; 10.00           
REMARK   3   TIGHT POSITIONAL   5    F    (A):     42 ;  0.09 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  5    A    (A):     58 ;  0.22 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  5    B    (A):     58 ;  0.19 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  5    C    (A):     58 ;  0.23 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  5    D    (A):     58 ;  0.19 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  5    E    (A):     58 ;  0.20 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  5    F    (A):     58 ;  0.19 ; 10.00           
REMARK   3   TIGHT THERMAL      5    A (A**2):     42 ;  1.67 ; 10.00           
REMARK   3   TIGHT THERMAL      5    B (A**2):     42 ;  1.65 ; 10.00           
REMARK   3   TIGHT THERMAL      5    C (A**2):     42 ;  1.81 ; 10.00           
REMARK   3   TIGHT THERMAL      5    D (A**2):     42 ;  1.18 ; 10.00           
REMARK   3   TIGHT THERMAL      5    E (A**2):     42 ;  1.27 ; 10.00           
REMARK   3   TIGHT THERMAL      5    F (A**2):     42 ;  1.54 ; 10.00           
REMARK   3   MEDIUM THERMAL     5    A (A**2):     58 ;  2.15 ; 10.00           
REMARK   3   MEDIUM THERMAL     5    B (A**2):     58 ;  2.18 ; 10.00           
REMARK   3   MEDIUM THERMAL     5    C (A**2):     58 ;  2.29 ; 10.00           
REMARK   3   MEDIUM THERMAL     5    D (A**2):     58 ;  2.01 ; 10.00           
REMARK   3   MEDIUM THERMAL     5    E (A**2):     58 ;  2.80 ; 10.00           
REMARK   3   MEDIUM THERMAL     5    F (A**2):     58 ;  2.45 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 6                                  
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A    105       A     110      4                      
REMARK   3           1     B    105       B     110      4                      
REMARK   3           1     C    105       C     110      4                      
REMARK   3           1     D    105       D     110      4                      
REMARK   3           1     E    105       E     110      4                      
REMARK   3           1     F    105       F     110      4                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   MEDIUM POSITIONAL  6    A    (A):     75 ;  0.26 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  6    B    (A):     75 ;  0.17 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  6    C    (A):     75 ;  0.18 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  6    D    (A):     75 ;  0.24 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  6    E    (A):     75 ;  0.22 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  6    F    (A):     75 ;  0.20 ; 10.00           
REMARK   3   MEDIUM THERMAL     6    A (A**2):     75 ;  2.36 ; 10.00           
REMARK   3   MEDIUM THERMAL     6    B (A**2):     75 ;  2.55 ; 10.00           
REMARK   3   MEDIUM THERMAL     6    C (A**2):     75 ;  2.50 ; 10.00           
REMARK   3   MEDIUM THERMAL     6    D (A**2):     75 ;  2.72 ; 10.00           
REMARK   3   MEDIUM THERMAL     6    E (A**2):     75 ;  3.43 ; 10.00           
REMARK   3   MEDIUM THERMAL     6    F (A**2):     75 ;  2.87 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 7                                  
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A    111       A     117      2                      
REMARK   3           1     B    111       B     117      2                      
REMARK   3           1     C    111       C     117      2                      
REMARK   3           1     D    111       D     117      2                      
REMARK   3           1     E    111       E     117      2                      
REMARK   3           1     F    111       F     117      2                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   TIGHT POSITIONAL   7    A    (A):     40 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   7    B    (A):     40 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   7    C    (A):     40 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   7    D    (A):     40 ;  0.06 ; 10.00           
REMARK   3   TIGHT POSITIONAL   7    E    (A):     40 ;  0.07 ; 10.00           
REMARK   3   TIGHT POSITIONAL   7    F    (A):     40 ;  0.10 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  7    A    (A):     55 ;  0.14 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  7    B    (A):     55 ;  0.13 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  7    C    (A):     55 ;  0.15 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  7    D    (A):     55 ;  0.16 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  7    E    (A):     55 ;  0.15 ; 10.00           
REMARK   3   MEDIUM POSITIONAL  7    F    (A):     55 ;  0.23 ; 10.00           
REMARK   3   TIGHT THERMAL      7    A (A**2):     40 ;  1.46 ; 10.00           
REMARK   3   TIGHT THERMAL      7    B (A**2):     40 ;  1.80 ; 10.00           
REMARK   3   TIGHT THERMAL      7    C (A**2):     40 ;  1.63 ; 10.00           
REMARK   3   TIGHT THERMAL      7    D (A**2):     40 ;  1.54 ; 10.00           
REMARK   3   TIGHT THERMAL      7    E (A**2):     40 ;  1.24 ; 10.00           
REMARK   3   TIGHT THERMAL      7    F (A**2):     40 ;  1.40 ; 10.00           
REMARK   3   MEDIUM THERMAL     7    A (A**2):     55 ;  1.83 ; 10.00           
REMARK   3   MEDIUM THERMAL     7    B (A**2):     55 ;  1.70 ; 10.00           
REMARK   3   MEDIUM THERMAL     7    C (A**2):     55 ;  1.79 ; 10.00           
REMARK   3   MEDIUM THERMAL     7    D (A**2):     55 ;  1.86 ; 10.00           
REMARK   3   MEDIUM THERMAL     7    E (A**2):     55 ;  1.02 ; 10.00           
REMARK   3   MEDIUM THERMAL     7    F (A**2):     55 ;  1.46 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 8                                  
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A    119       A     128      3                      
REMARK   3           1     B    119       B     128      3                      
REMARK   3           1     C    119       C     128      3                      
REMARK   3           1     D    119       D     128      3                      
REMARK   3           1     E    119       E     128      3                      
REMARK   3           1     F    119       F     128      3                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   TIGHT POSITIONAL   8    A    (A):     60 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   8    B    (A):     60 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL   8    C    (A):     60 ;  0.13 ; 10.00           
REMARK   3   TIGHT POSITIONAL   8    D    (A):     60 ;  0.14 ; 10.00           
REMARK   3   TIGHT POSITIONAL   8    E    (A):     60 ;  0.10 ; 10.00           
REMARK   3   TIGHT POSITIONAL   8    F    (A):     60 ;  0.11 ; 10.00           
REMARK   3   LOOSE POSITIONAL   8    A    (A):     91 ;  0.38 ; 10.00           
REMARK   3   LOOSE POSITIONAL   8    B    (A):     91 ;  0.45 ; 10.00           
REMARK   3   LOOSE POSITIONAL   8    C    (A):     91 ;  0.56 ; 10.00           
REMARK   3   LOOSE POSITIONAL   8    D    (A):     91 ;  0.44 ; 10.00           
REMARK   3   LOOSE POSITIONAL   8    E    (A):     91 ;  0.42 ; 10.00           
REMARK   3   LOOSE POSITIONAL   8    F    (A):     91 ;  0.55 ; 10.00           
REMARK   3   TIGHT THERMAL      8    A (A**2):     60 ;  1.93 ; 10.00           
REMARK   3   TIGHT THERMAL      8    B (A**2):     60 ;  1.24 ; 10.00           
REMARK   3   TIGHT THERMAL      8    C (A**2):     60 ;  1.80 ; 10.00           
REMARK   3   TIGHT THERMAL      8    D (A**2):     60 ;  2.03 ; 10.00           
REMARK   3   TIGHT THERMAL      8    E (A**2):     60 ;  1.81 ; 10.00           
REMARK   3   TIGHT THERMAL      8    F (A**2):     60 ;  1.28 ; 10.00           
REMARK   3   LOOSE THERMAL      8    A (A**2):     91 ;  2.30 ; 10.00           
REMARK   3   LOOSE THERMAL      8    B (A**2):     91 ;  2.55 ; 10.00           
REMARK   3   LOOSE THERMAL      8    C (A**2):     91 ;  2.02 ; 10.00           
REMARK   3   LOOSE THERMAL      8    D (A**2):     91 ;  2.63 ; 10.00           
REMARK   3   LOOSE THERMAL      8    E (A**2):     91 ;  2.19 ; 10.00           
REMARK   3   LOOSE THERMAL      8    F (A**2):     91 ;  2.33 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 9                                  
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A    129       A     132      6                      
REMARK   3           1     B    129       B     132      6                      
REMARK   3           1     C    129       C     132      6                      
REMARK   3           1     D    129       D     132      6                      
REMARK   3           1     E    129       E     132      6                      
REMARK   3           1     F    129       F     132      6                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   LOOSE POSITIONAL   9    A    (A):     40 ;  0.50 ; 10.00           
REMARK   3   LOOSE POSITIONAL   9    B    (A):     40 ;  0.23 ; 10.00           
REMARK   3   LOOSE POSITIONAL   9    C    (A):     40 ;  0.25 ; 10.00           
REMARK   3   LOOSE POSITIONAL   9    D    (A):     40 ;  0.25 ; 10.00           
REMARK   3   LOOSE POSITIONAL   9    E    (A):     40 ;  0.55 ; 10.00           
REMARK   3   LOOSE POSITIONAL   9    F    (A):     40 ;  0.26 ; 10.00           
REMARK   3   LOOSE THERMAL      9    A (A**2):     40 ;  3.87 ; 10.00           
REMARK   3   LOOSE THERMAL      9    B (A**2):     40 ;  2.21 ; 10.00           
REMARK   3   LOOSE THERMAL      9    C (A**2):     40 ;  3.21 ; 10.00           
REMARK   3   LOOSE THERMAL      9    D (A**2):     40 ;  1.85 ; 10.00           
REMARK   3   LOOSE THERMAL      9    E (A**2):     40 ;  4.26 ; 10.00           
REMARK   3   LOOSE THERMAL      9    F (A**2):     40 ;  3.24 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 10                                 
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A     88       A      95      3                      
REMARK   3           1     B     88       B      95      3                      
REMARK   3           1     C     88       C      95      3                      
REMARK   3           1     D     88       D      95      3                      
REMARK   3           1     E     88       E      95      3                      
REMARK   3           1     F     88       F      95      3                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   TIGHT POSITIONAL  10    A    (A):     47 ;  0.11 ; 10.00           
REMARK   3   TIGHT POSITIONAL  10    B    (A):     47 ;  0.12 ; 10.00           
REMARK   3   TIGHT POSITIONAL  10    C    (A):     47 ;  0.14 ; 10.00           
REMARK   3   TIGHT POSITIONAL  10    D    (A):     47 ;  0.12 ; 10.00           
REMARK   3   TIGHT POSITIONAL  10    E    (A):     47 ;  0.12 ; 10.00           
REMARK   3   TIGHT POSITIONAL  10    F    (A):     47 ;  0.19 ; 10.00           
REMARK   3   LOOSE POSITIONAL  10    A    (A):     61 ;  0.63 ; 10.00           
REMARK   3   LOOSE POSITIONAL  10    B    (A):     61 ;  0.73 ; 10.00           
REMARK   3   LOOSE POSITIONAL  10    C    (A):     61 ;  0.64 ; 10.00           
REMARK   3   LOOSE POSITIONAL  10    D    (A):     61 ;  0.68 ; 10.00           
REMARK   3   LOOSE POSITIONAL  10    E    (A):     61 ;  0.60 ; 10.00           
REMARK   3   LOOSE POSITIONAL  10    F    (A):     61 ;  0.81 ; 10.00           
REMARK   3   TIGHT THERMAL     10    A (A**2):     47 ;  1.62 ; 10.00           
REMARK   3   TIGHT THERMAL     10    B (A**2):     47 ;  1.80 ; 10.00           
REMARK   3   TIGHT THERMAL     10    C (A**2):     47 ;  1.53 ; 10.00           
REMARK   3   TIGHT THERMAL     10    D (A**2):     47 ;  1.63 ; 10.00           
REMARK   3   TIGHT THERMAL     10    E (A**2):     47 ;  1.41 ; 10.00           
REMARK   3   TIGHT THERMAL     10    F (A**2):     47 ;  2.22 ; 10.00           
REMARK   3   LOOSE THERMAL     10    A (A**2):     61 ;  2.53 ; 10.00           
REMARK   3   LOOSE THERMAL     10    B (A**2):     61 ;  4.44 ; 10.00           
REMARK   3   LOOSE THERMAL     10    C (A**2):     61 ;  4.70 ; 10.00           
REMARK   3   LOOSE THERMAL     10    D (A**2):     61 ;  4.29 ; 10.00           
REMARK   3   LOOSE THERMAL     10    E (A**2):     61 ;  2.58 ; 10.00           
REMARK   3   LOOSE THERMAL     10    F (A**2):     61 ;  2.99 ; 10.00           
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 11                                 
REMARK   3     CHAIN NAMES                    : A B C D E F                     
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A     96       A     104      3                      
REMARK   3           1     B     96       B     104      3                      
REMARK   3           1     C     96       C     104      3                      
REMARK   3           1     D     96       D     104      3                      
REMARK   3           1     E     96       E     104      3                      
REMARK   3           1     F     96       F     104      3                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   TIGHT POSITIONAL  11    A    (A):     54 ;  0.08 ; 10.00           
REMARK   3   TIGHT POSITIONAL  11    B    (A):     54 ;  0.08 ; 10.00           
REMARK   3   TIGHT POSITIONAL  11    C    (A):     54 ;  0.08 ; 10.00           
REMARK   3   TIGHT POSITIONAL  11    D    (A):     54 ;  0.14 ; 10.00           
REMARK   3   TIGHT POSITIONAL  11    E    (A):     54 ;  0.09 ; 10.00           
REMARK   3   TIGHT POSITIONAL  11    F    (A):     54 ;  0.09 ; 10.00           
REMARK   3   LOOSE POSITIONAL  11    A    (A):     77 ;  0.14 ; 10.00           
REMARK   3   LOOSE POSITIONAL  11    B    (A):     77 ;  0.21 ; 10.00           
REMARK   3   LOOSE POSITIONAL  11    C    (A):     77 ;  0.17 ; 10.00           
REMARK   3   LOOSE POSITIONAL  11    D    (A):     77 ;  0.23 ; 10.00           
REMARK   3   LOOSE POSITIONAL  11    E    (A):     77 ;  0.15 ; 10.00           
REMARK   3   LOOSE POSITIONAL  11    F    (A):     77 ;  0.19 ; 10.00           
REMARK   3   TIGHT THERMAL     11    A (A**2):     54 ;  1.49 ; 10.00           
REMARK   3   TIGHT THERMAL     11    B (A**2):     54 ;  1.29 ; 10.00           
REMARK   3   TIGHT THERMAL     11    C (A**2):     54 ;  1.46 ; 10.00           
REMARK   3   TIGHT THERMAL     11    D (A**2):     54 ;  1.67 ; 10.00           
REMARK   3   TIGHT THERMAL     11    E (A**2):     54 ;  1.56 ; 10.00           
REMARK   3   TIGHT THERMAL     11    F (A**2):     54 ;  1.34 ; 10.00           
REMARK   3   LOOSE THERMAL     11    A (A**2):     77 ;  2.11 ; 10.00           
REMARK   3   LOOSE THERMAL     11    B (A**2):     77 ;  2.18 ; 10.00           
REMARK   3   LOOSE THERMAL     11    C (A**2):     77 ;  2.09 ; 10.00           
REMARK   3   LOOSE THERMAL     11    D (A**2):     77 ;  2.62 ; 10.00           
REMARK   3   LOOSE THERMAL     11    E (A**2):     77 ;  2.36 ; 10.00           
REMARK   3   LOOSE THERMAL     11    F (A**2):     77 ;  2.25 ; 10.00           
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 6                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    58        A   135                          
REMARK   3    ORIGIN FOR THE GROUP (A):  72.1425  21.7973  13.6465              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0040 T22:   0.1628                                     
REMARK   3      T33:   0.1040 T12:  -0.0113                                     
REMARK   3      T13:  -0.0113 T23:   0.0214                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2629 L22:  10.7463                                     
REMARK   3      L33:   3.7402 L12:   0.2950                                     
REMARK   3      L13:   0.2789 L23:  -1.6480                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0301 S12:  -0.1603 S13:  -0.2865                       
REMARK   3      S21:   0.1087 S22:   0.0257 S23:  -0.7255                       
REMARK   3      S31:   0.0072 S32:   0.2331 S33:   0.0044                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B    58        B   135                          
REMARK   3    ORIGIN FOR THE GROUP (A):  51.7847  13.0897  15.1465              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0703 T22:   0.1027                                     
REMARK   3      T33:   0.0739 T12:  -0.0441                                     
REMARK   3      T13:   0.0121 T23:   0.0310                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.1786 L22:   1.3971                                     
REMARK   3      L33:   5.9878 L12:  -0.7365                                     
REMARK   3      L13:   2.5869 L23:  -0.9578                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0366 S12:  -0.0946 S13:  -0.2053                       
REMARK   3      S21:  -0.0163 S22:   0.0385 S23:  -0.0360                       
REMARK   3      S31:   0.1627 S32:  -0.0920 S33:  -0.0019                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    58        C   136                          
REMARK   3    ORIGIN FOR THE GROUP (A):  55.0475  33.0384   6.5274              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0948 T22:   0.1027                                     
REMARK   3      T33:   0.0475 T12:   0.0236                                     
REMARK   3      T13:  -0.0020 T23:   0.0121                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.2973 L22:   2.8738                                     
REMARK   3      L33:   2.7030 L12:   1.1941                                     
REMARK   3      L13:  -1.4856 L23:  -0.8236                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1430 S12:   0.0009 S13:   0.3892                       
REMARK   3      S21:   0.0447 S22:   0.0142 S23:   0.2455                       
REMARK   3      S31:  -0.2321 S32:  -0.1224 S33:  -0.1572                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    57        D   135                          
REMARK   3    ORIGIN FOR THE GROUP (A):  42.0061  12.5654  30.8212              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0847 T22:   0.0929                                     
REMARK   3      T33:   0.0585 T12:   0.0326                                     
REMARK   3      T13:   0.0201 T23:  -0.0180                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7244 L22:   1.3960                                     
REMARK   3      L33:   4.8104 L12:   0.1651                                     
REMARK   3      L13:   2.3636 L23:   0.3435                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0588 S12:   0.2062 S13:  -0.2112                       
REMARK   3      S21:   0.0011 S22:   0.0605 S23:   0.0738                       
REMARK   3      S31:   0.1693 S32:  -0.0005 S33:  -0.0017                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E    58        E   134                          
REMARK   3    ORIGIN FOR THE GROUP (A):  21.6256  21.6706  32.1642              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0054 T22:   0.1990                                     
REMARK   3      T33:   0.1301 T12:   0.0144                                     
REMARK   3      T13:  -0.0084 T23:  -0.0126                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5622 L22:  11.3243                                     
REMARK   3      L33:   3.3861 L12:  -1.0252                                     
REMARK   3      L13:  -0.1991 L23:   2.2265                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0720 S12:   0.1178 S13:  -0.3269                       
REMARK   3      S21:  -0.0657 S22:   0.0166 S23:   0.9268                       
REMARK   3      S31:  -0.0102 S32:  -0.2454 S33:   0.0554                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F    58        F   136                          
REMARK   3    ORIGIN FOR THE GROUP (A):  38.7508  32.9936  39.2865              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1010 T22:   0.0620                                     
REMARK   3      T33:   0.0865 T12:  -0.0133                                     
REMARK   3      T13:  -0.0173 T23:  -0.0128                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.8905 L22:   3.0934                                     
REMARK   3      L33:   3.7745 L12:  -1.3334                                     
REMARK   3      L13:  -3.1730 L23:   0.9091                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1652 S12:  -0.0353 S13:   0.5002                       
REMARK   3      S21:  -0.0101 S22:   0.0383 S23:  -0.3079                       
REMARK   3      S31:  -0.2038 S32:   0.0550 S33:  -0.2035                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.40                                          
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 2XVT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 31-OCT-10.                  
REMARK 100 THE DEPOSITION ID IS D_1290046009.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 11-AUG-10; NULL                    
REMARK 200  TEMPERATURE           (KELVIN) : 100; 100                           
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 2                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y; Y                               
REMARK 200  RADIATION SOURCE               : DIAMOND; DIAMOND                   
REMARK 200  BEAMLINE                       : I02; I04                           
REMARK 200  X-RAY GENERATOR MODEL          : NULL; NULL                         
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M; M                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9795; 0.9803, 0.9806, 0.9763     
REMARK 200  MONOCHROMATOR                  : NULL; NULL                         
REMARK 200  OPTICS                         : NULL: NULL; NULL                   
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD; CCD                           
REMARK 200  DETECTOR MANUFACTURER          : ADSC CCD; ADSC CCD                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 32252                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.050                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.130                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY                : 6.700                              
REMARK 200  R MERGE                    (I) : 0.16000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 7.8000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.05                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.16                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.77000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; MAD                         
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: AUTOSHARP                                             
REMARK 200 STARTING MODEL: NONE                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 35.87                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.75                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M CALCIUM CHLORIDE, 26% PEG           
REMARK 280  MONOMETHYLETHER 350, 0.1M HEPES PH 7.5                              
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       29.87950            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       46.02800            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       45.49200            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       46.02800            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       29.87950            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       45.49200            
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, 4, 5, 6, 7, 8                                  
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4110 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11940 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -41.4 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4090 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11840 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -35.1 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, 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: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 4                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 5                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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: 6                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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: 7                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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: 8                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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     SER A    46                                                      
REMARK 465     MET A    47                                                      
REMARK 465     THR A    48                                                      
REMARK 465     GLY A    49                                                      
REMARK 465     THR A    50                                                      
REMARK 465     PRO A    51                                                      
REMARK 465     GLY A    52                                                      
REMARK 465     SER A    53                                                      
REMARK 465     GLU A    54                                                      
REMARK 465     GLY A    55                                                      
REMARK 465     GLY A    56                                                      
REMARK 465     THR A    57                                                      
REMARK 465     PRO A   136                                                      
REMARK 465     THR A   137                                                      
REMARK 465     PHE A   138                                                      
REMARK 465     SER A   139                                                      
REMARK 465     SER B    46                                                      
REMARK 465     MET B    47                                                      
REMARK 465     THR B    48                                                      
REMARK 465     GLY B    49                                                      
REMARK 465     THR B    50                                                      
REMARK 465     PRO B    51                                                      
REMARK 465     GLY B    52                                                      
REMARK 465     SER B    53                                                      
REMARK 465     GLU B    54                                                      
REMARK 465     GLY B    55                                                      
REMARK 465     GLY B    56                                                      
REMARK 465     THR B    57                                                      
REMARK 465     PRO B   136                                                      
REMARK 465     THR B   137                                                      
REMARK 465     PHE B   138                                                      
REMARK 465     SER B   139                                                      
REMARK 465     SER C    46                                                      
REMARK 465     MET C    47                                                      
REMARK 465     THR C    48                                                      
REMARK 465     GLY C    49                                                      
REMARK 465     THR C    50                                                      
REMARK 465     PRO C    51                                                      
REMARK 465     GLY C    52                                                      
REMARK 465     SER C    53                                                      
REMARK 465     GLU C    54                                                      
REMARK 465     GLY C    55                                                      
REMARK 465     GLY C    56                                                      
REMARK 465     THR C    57                                                      
REMARK 465     THR C   137                                                      
REMARK 465     PHE C   138                                                      
REMARK 465     SER C   139                                                      
REMARK 465     SER D    46                                                      
REMARK 465     MET D    47                                                      
REMARK 465     THR D    48                                                      
REMARK 465     GLY D    49                                                      
REMARK 465     THR D    50                                                      
REMARK 465     PRO D    51                                                      
REMARK 465     GLY D    52                                                      
REMARK 465     SER D    53                                                      
REMARK 465     GLU D    54                                                      
REMARK 465     GLY D    55                                                      
REMARK 465     GLY D    56                                                      
REMARK 465     PRO D   136                                                      
REMARK 465     THR D   137                                                      
REMARK 465     PHE D   138                                                      
REMARK 465     SER D   139                                                      
REMARK 465     SER E    46                                                      
REMARK 465     MET E    47                                                      
REMARK 465     THR E    48                                                      
REMARK 465     GLY E    49                                                      
REMARK 465     THR E    50                                                      
REMARK 465     PRO E    51                                                      
REMARK 465     GLY E    52                                                      
REMARK 465     SER E    53                                                      
REMARK 465     GLU E    54                                                      
REMARK 465     GLY E    55                                                      
REMARK 465     GLY E    56                                                      
REMARK 465     THR E    57                                                      
REMARK 465     VAL E   134                                                      
REMARK 465     GLN E   135                                                      
REMARK 465     PRO E   136                                                      
REMARK 465     THR E   137                                                      
REMARK 465     PHE E   138                                                      
REMARK 465     SER E   139                                                      
REMARK 465     SER F    46                                                      
REMARK 465     MET F    47                                                      
REMARK 465     THR F    48                                                      
REMARK 465     GLY F    49                                                      
REMARK 465     THR F    50                                                      
REMARK 465     PRO F    51                                                      
REMARK 465     GLY F    52                                                      
REMARK 465     SER F    53                                                      
REMARK 465     GLU F    54                                                      
REMARK 465     GLY F    55                                                      
REMARK 465     GLY F    56                                                      
REMARK 465     THR F    57                                                      
REMARK 465     THR F   137                                                      
REMARK 465     PHE F   138                                                      
REMARK 465     SER F   139                                                      
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  73    CD   CE   NZ                                        
REMARK 470     LYS A  81    CD   CE   NZ                                        
REMARK 470     GLU A 105    CD   OE1  OE2                                       
REMARK 470     GLN A 135    CG   CD   OE1  NE2                                  
REMARK 470     LYS B  59    CG   CD   CE   NZ                                   
REMARK 470     LYS B  73    CD   CE   NZ                                        
REMARK 470     LYS C  59    CD   CE   NZ                                        
REMARK 470     LYS C  81    CE   NZ                                             
REMARK 470     THR D  57    OG1  CG2                                            
REMARK 470     LYS E  59    CD   CE   NZ                                        
REMARK 470     LYS E  73    CE   NZ                                             
REMARK 470     LYS F  59    CD   CE   NZ                                        
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    HOH F  2030     O    HOH F  2032              2.16            
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    ARG C 118   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 DEGREES          
REMARK 500    ARG E  97   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 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    VAL D  58       86.10     53.59                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA C1137  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH C2035   O                                                      
REMARK 620 2 GLU C 105   OE2  55.8                                              
REMARK 620 3 ASP F 108   OD1  89.8 145.5                                        
REMARK 620 4 GLU C 101   OE2  80.7  85.2  93.2                                  
REMARK 620 5 GLU F 105   O   105.9  99.6  85.5 173.2                            
REMARK 620 6 HOH F2028   O   151.1 147.6  66.0  84.9  88.5                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA F1137  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH F2025   O                                                      
REMARK 620 2 GLU C 105   O    83.2                                              
REMARK 620 3 GLU F 101   OE2 106.7 169.7                                        
REMARK 620 4 GLU F 105   OE2  89.3 100.4  83.1                                  
REMARK 620 5 HOH C2038   O    87.8  80.1  97.0 177.0                            
REMARK 620 6 ASP C 108   OD1 154.8  80.3  89.4 112.2  70.8                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA F1138  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH B2022   O                                                      
REMARK 620 2 HOH F2029   O    74.8                                              
REMARK 620 3 ASP F 108   O    87.0  90.4                                        
REMARK 620 4 HOH F2026   O    86.0 158.6  98.0                                  
REMARK 620 5 HOH B2021   O    67.3  71.1 151.2  93.0                            
REMARK 620 N                    1     2     3     4                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA C 1137                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA F 1137                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA F 1138                 
DBREF  2XVT A   48   139  UNP    O60895   RAMP2_HUMAN     48    139             
DBREF  2XVT B   48   139  UNP    O60895   RAMP2_HUMAN     48    139             
DBREF  2XVT C   48   139  UNP    O60895   RAMP2_HUMAN     48    139             
DBREF  2XVT D   48   139  UNP    O60895   RAMP2_HUMAN     48    139             
DBREF  2XVT E   48   139  UNP    O60895   RAMP2_HUMAN     48    139             
DBREF  2XVT F   48   139  UNP    O60895   RAMP2_HUMAN     48    139             
SEQADV 2XVT SER A   46  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT MET A   47  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT SER B   46  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT MET B   47  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT SER C   46  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT MET C   47  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT SER D   46  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT MET D   47  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT SER E   46  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT MET E   47  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT SER F   46  UNP  O60895              EXPRESSION TAG                 
SEQADV 2XVT MET F   47  UNP  O60895              EXPRESSION TAG                 
SEQRES   1 A   94  SER MET THR GLY THR PRO GLY SER GLU GLY GLY THR VAL          
SEQRES   2 A   94  LYS ASN TYR GLU THR ALA VAL GLN PHE CYS TRP ASN HIS          
SEQRES   3 A   94  TYR LYS ASP GLN MET ASP PRO ILE GLU LYS ASP TRP CYS          
SEQRES   4 A   94  ASP TRP ALA MET ILE SER ARG PRO TYR SER THR LEU ARG          
SEQRES   5 A   94  ASP CYS LEU GLU HIS PHE ALA GLU LEU PHE ASP LEU GLY          
SEQRES   6 A   94  PHE PRO ASN PRO LEU ALA GLU ARG ILE ILE PHE GLU THR          
SEQRES   7 A   94  HIS GLN ILE HIS PHE ALA ASN CYS SER LEU VAL GLN PRO          
SEQRES   8 A   94  THR PHE SER                                                  
SEQRES   1 B   94  SER MET THR GLY THR PRO GLY SER GLU GLY GLY THR VAL          
SEQRES   2 B   94  LYS ASN TYR GLU THR ALA VAL GLN PHE CYS TRP ASN HIS          
SEQRES   3 B   94  TYR LYS ASP GLN MET ASP PRO ILE GLU LYS ASP TRP CYS          
SEQRES   4 B   94  ASP TRP ALA MET ILE SER ARG PRO TYR SER THR LEU ARG          
SEQRES   5 B   94  ASP CYS LEU GLU HIS PHE ALA GLU LEU PHE ASP LEU GLY          
SEQRES   6 B   94  PHE PRO ASN PRO LEU ALA GLU ARG ILE ILE PHE GLU THR          
SEQRES   7 B   94  HIS GLN ILE HIS PHE ALA ASN CYS SER LEU VAL GLN PRO          
SEQRES   8 B   94  THR PHE SER                                                  
SEQRES   1 C   94  SER MET THR GLY THR PRO GLY SER GLU GLY GLY THR VAL          
SEQRES   2 C   94  LYS ASN TYR GLU THR ALA VAL GLN PHE CYS TRP ASN HIS          
SEQRES   3 C   94  TYR LYS ASP GLN MET ASP PRO ILE GLU LYS ASP TRP CYS          
SEQRES   4 C   94  ASP TRP ALA MET ILE SER ARG PRO TYR SER THR LEU ARG          
SEQRES   5 C   94  ASP CYS LEU GLU HIS PHE ALA GLU LEU PHE ASP LEU GLY          
SEQRES   6 C   94  PHE PRO ASN PRO LEU ALA GLU ARG ILE ILE PHE GLU THR          
SEQRES   7 C   94  HIS GLN ILE HIS PHE ALA ASN CYS SER LEU VAL GLN PRO          
SEQRES   8 C   94  THR PHE SER                                                  
SEQRES   1 D   94  SER MET THR GLY THR PRO GLY SER GLU GLY GLY THR VAL          
SEQRES   2 D   94  LYS ASN TYR GLU THR ALA VAL GLN PHE CYS TRP ASN HIS          
SEQRES   3 D   94  TYR LYS ASP GLN MET ASP PRO ILE GLU LYS ASP TRP CYS          
SEQRES   4 D   94  ASP TRP ALA MET ILE SER ARG PRO TYR SER THR LEU ARG          
SEQRES   5 D   94  ASP CYS LEU GLU HIS PHE ALA GLU LEU PHE ASP LEU GLY          
SEQRES   6 D   94  PHE PRO ASN PRO LEU ALA GLU ARG ILE ILE PHE GLU THR          
SEQRES   7 D   94  HIS GLN ILE HIS PHE ALA ASN CYS SER LEU VAL GLN PRO          
SEQRES   8 D   94  THR PHE SER                                                  
SEQRES   1 E   94  SER MET THR GLY THR PRO GLY SER GLU GLY GLY THR VAL          
SEQRES   2 E   94  LYS ASN TYR GLU THR ALA VAL GLN PHE CYS TRP ASN HIS          
SEQRES   3 E   94  TYR LYS ASP GLN MET ASP PRO ILE GLU LYS ASP TRP CYS          
SEQRES   4 E   94  ASP TRP ALA MET ILE SER ARG PRO TYR SER THR LEU ARG          
SEQRES   5 E   94  ASP CYS LEU GLU HIS PHE ALA GLU LEU PHE ASP LEU GLY          
SEQRES   6 E   94  PHE PRO ASN PRO LEU ALA GLU ARG ILE ILE PHE GLU THR          
SEQRES   7 E   94  HIS GLN ILE HIS PHE ALA ASN CYS SER LEU VAL GLN PRO          
SEQRES   8 E   94  THR PHE SER                                                  
SEQRES   1 F   94  SER MET THR GLY THR PRO GLY SER GLU GLY GLY THR VAL          
SEQRES   2 F   94  LYS ASN TYR GLU THR ALA VAL GLN PHE CYS TRP ASN HIS          
SEQRES   3 F   94  TYR LYS ASP GLN MET ASP PRO ILE GLU LYS ASP TRP CYS          
SEQRES   4 F   94  ASP TRP ALA MET ILE SER ARG PRO TYR SER THR LEU ARG          
SEQRES   5 F   94  ASP CYS LEU GLU HIS PHE ALA GLU LEU PHE ASP LEU GLY          
SEQRES   6 F   94  PHE PRO ASN PRO LEU ALA GLU ARG ILE ILE PHE GLU THR          
SEQRES   7 F   94  HIS GLN ILE HIS PHE ALA ASN CYS SER LEU VAL GLN PRO          
SEQRES   8 F   94  THR PHE SER                                                  
HET     CA  C1137       1                                                       
HET     CA  F1137       1                                                       
HET     CA  F1138       1                                                       
HETNAM      CA CALCIUM ION                                                      
FORMUL   7   CA    3(CA 2+)                                                     
FORMUL  10  HOH   *228(H2 O)                                                    
HELIX    1   1 ASN A   60  ASP A   77  1                                  18    
HELIX    2   2 PRO A   78  TRP A   83  5                                   6    
HELIX    3   3 ASP A   85  PHE A  107  1                                  23    
HELIX    4   4 ASN A  113  HIS A  127  1                                  15    
HELIX    5   5 ASN B   60  ASP B   77  1                                  18    
HELIX    6   6 PRO B   78  TRP B   83  5                                   6    
HELIX    7   7 ASP B   85  PHE B  107  1                                  23    
HELIX    8   8 ASN B  113  PHE B  128  1                                  16    
HELIX    9   9 ASN C   60  ASP C   77  1                                  18    
HELIX   10  10 PRO C   78  TRP C   83  5                                   6    
HELIX   11  11 ASP C   85  PHE C  107  1                                  23    
HELIX   12  12 ASN C  113  HIS C  127  1                                  15    
HELIX   13  13 ASN D   60  ASP D   77  1                                  18    
HELIX   14  14 PRO D   78  TRP D   83  5                                   6    
HELIX   15  15 ASP D   85  PHE D  107  1                                  23    
HELIX   16  16 ASN D  113  PHE D  128  1                                  16    
HELIX   17  17 ASN E   60  ASP E   77  1                                  18    
HELIX   18  18 PRO E   78  TRP E   83  5                                   6    
HELIX   19  19 ASP E   85  PHE E  107  1                                  23    
HELIX   20  20 ASN E  113  HIS E  127  1                                  15    
HELIX   21  21 ASN F   60  ASP F   77  1                                  18    
HELIX   22  22 PRO F   78  TRP F   83  5                                   6    
HELIX   23  23 ASP F   85  PHE F  107  1                                  23    
HELIX   24  24 ASN F  113  HIS F  127  1                                  15    
SSBOND   1 CYS A   68    CYS A   99                          1555   1555  2.06  
SSBOND   2 CYS A   84    CYS A  131                          1555   1555  2.01  
SSBOND   3 CYS B   68    CYS B   99                          1555   1555  2.07  
SSBOND   4 CYS B   84    CYS B  131                          1555   1555  2.04  
SSBOND   5 CYS C   68    CYS C   99                          1555   1555  2.06  
SSBOND   6 CYS C   84    CYS C  131                          1555   1555  2.08  
SSBOND   7 CYS D   68    CYS D   99                          1555   1555  2.08  
SSBOND   8 CYS D   84    CYS D  131                          1555   1555  2.01  
SSBOND   9 CYS E   68    CYS E   99                          1555   1555  2.05  
SSBOND  10 CYS E   84    CYS E  131                          1555   1555  2.05  
SSBOND  11 CYS F   68    CYS F   99                          1555   1555  2.06  
SSBOND  12 CYS F   84    CYS F  131                          1555   1555  2.04  
LINK        CA    CA C1137                 O   HOH C2035     1555   1555  2.89  
LINK        CA    CA C1137                 OE2 GLU C 105     1555   1555  2.30  
LINK        CA    CA C1137                 OD1 ASP F 108     1555   1555  2.41  
LINK        CA    CA C1137                 OE2 GLU C 101     1555   1555  2.34  
LINK        CA    CA C1137                 O   GLU F 105     1555   1555  2.38  
LINK        CA    CA C1137                 O   HOH F2028     1555   1555  2.12  
LINK        CA    CA F1137                 O   HOH F2025     1555   1555  2.34  
LINK        CA    CA F1137                 O   GLU C 105     1555   1555  2.46  
LINK        CA    CA F1137                 OE2 GLU F 101     1555   1555  2.35  
LINK        CA    CA F1137                 OE2 GLU F 105     1555   1555  2.18  
LINK        CA    CA F1137                 O   HOH C2038     1555   1555  2.34  
LINK        CA    CA F1137                 OD1 ASP C 108     1555   1555  2.45  
LINK        CA    CA F1138                 O   HOH B2022     1555   1555  2.53  
LINK        CA    CA F1138                 O   HOH F2029     1555   1555  2.32  
LINK        CA    CA F1138                 O   ASP F 108     1555   1555  2.30  
LINK        CA    CA F1138                 O   HOH F2026     1555   1555  2.10  
LINK        CA    CA F1138                 O   HOH B2021     1555   1555  2.43  
CISPEP   1 PHE A  111    PRO A  112          0        -0.31                     
CISPEP   2 PHE B  111    PRO B  112          0        -6.19                     
CISPEP   3 PHE C  111    PRO C  112          0        -6.61                     
CISPEP   4 PHE D  111    PRO D  112          0        -7.05                     
CISPEP   5 PHE E  111    PRO E  112          0         2.01                     
CISPEP   6 PHE F  111    PRO F  112          0        -2.52                     
SITE     1 AC1  6 GLU C 101  GLU C 105  HOH C2035  GLU F 105                    
SITE     2 AC1  6 ASP F 108  HOH F2028                                          
SITE     1 AC2  6 GLU C 105  ASP C 108  HOH C2038  GLU F 101                    
SITE     2 AC2  6 GLU F 105  HOH F2025                                          
SITE     1 AC3  5 HOH B2021  HOH B2022  ASP F 108  HOH F2026                    
SITE     2 AC3  5 HOH F2029                                                     
CRYST1   59.759   90.984   92.056  90.00  90.00  90.00 P 21 21 21   24          
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      0.016734  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.010991  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010863        0.00000                         
MTRIX1   1 -0.475610  0.737330 -0.479720       76.90105    1                    
MTRIX2   1 -0.851870 -0.250080  0.460200       73.44485    1                    
MTRIX3   1  0.219350  0.627530  0.747050      -24.33546    1                    
MTRIX1   2 -0.492000 -0.852000  0.177000      106.11459    1                    
MTRIX2   2  0.715000 -0.280000  0.641000      -21.31891    1                    
MTRIX3   2 -0.497000  0.442000  0.747000       22.70615    1                    
MTRIX1   3  0.482000 -0.732000  0.481000       16.38894    1                    
MTRIX2   3 -0.850000 -0.257000  0.460000       73.23527    1                    
MTRIX3   3 -0.213000 -0.631000 -0.746000       70.09725    1                    
MTRIX1   4 -1.000000  0.008000  0.018000       93.41971    1                    
MTRIX2   4  0.008000  1.000000 -0.010000       -0.67687    1                    
MTRIX3   4 -0.019000 -0.010000 -1.000000       47.44164    1                    
MTRIX1   5  0.485000  0.856000 -0.179000      -11.76748    1                    
MTRIX2   5  0.732000 -0.285000  0.619000      -22.21119    1                    
MTRIX3   5  0.479000 -0.432000 -0.764000       24.33679    1                    
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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