HEADER    DE NOVO PROTEIN, MEMBRANE PROTEIN       09-OCT-15   5E5Z              
TITLE     STRUCTURE OF THE AMYLOID FORMING PEPTIDE LVHSSN (RESIDUES             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: LVHSSN (RESIDUES 16-21) FROM ISLET AMYLOID POLYPEPTIDE;    
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   4 ORGANISM_TAXID: 9606                                                 
KEYWDS    AMYLOID-LIKE PROTOFIBRIL, DE NOVO PROTEIN, MEMBRANE PROTEIN, PROTEIN  
KEYWDS   2 FIBRIL                                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.B.SORIAGA,D.EISENBERG                                               
REVDAT   4   06-MAR-24 5E5Z    1       JRNL   REMARK                            
REVDAT   3   20-JUL-16 5E5Z    1       JRNL                                     
REVDAT   2   20-JAN-16 5E5Z    1       JRNL                                     
REVDAT   1   16-DEC-15 5E5Z    0                                                
JRNL        AUTH   A.B.SORIAGA,S.SANGWAN,R.MACDONALD,M.R.SAWAYA,D.EISENBERG     
JRNL        TITL   CRYSTAL STRUCTURES OF IAPP AMYLOIDOGENIC SEGMENTS REVEAL A   
JRNL        TITL 2 NOVEL PACKING MOTIF OF OUT-OF-REGISTER BETA SHEETS.          
JRNL        REF    J.PHYS.CHEM.B                 V. 120  5810 2016              
JRNL        REFN                   ISSN 1089-5647                               
JRNL        PMID   26629790                                                     
JRNL        DOI    10.1021/ACS.JPCB.5B09981                                     
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.66 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.6.4_486                                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : LS_WUNIT_K1                                   
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 9.46                           
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 89.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 391                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.170                           
REMARK   3   R VALUE            (WORKING SET) : 0.167                           
REMARK   3   FREE R VALUE                     : 0.198                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.600                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 18                              
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1  9.4587 -  1.6644    0.89      373    18  0.1673 0.1983        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 0.00                                          
REMARK   3   SHRINKAGE RADIUS   : 0.00                                          
REMARK   3   K_SOL              : 0.60                                          
REMARK   3   B_SOL              : 251.4                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.310            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.270           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.51090                                              
REMARK   3    B22 (A**2) : -3.44720                                             
REMARK   3    B33 (A**2) : -8.26450                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.77970                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.004             46                                  
REMARK   3   ANGLE     :  0.975             62                                  
REMARK   3   CHIRALITY :  0.056              8                                  
REMARK   3   PLANARITY :  0.004              8                                  
REMARK   3   DIHEDRAL  : 10.740             15                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A):   4.5323   0.1096   3.9760              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.1260 T22:  -0.0788                                     
REMARK   3      T33:  -0.0487 T12:   0.0821                                     
REMARK   3      T13:  -0.0518 T23:   0.0723                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1003 L22:   0.0184                                     
REMARK   3      L33:   0.0647 L12:  -0.0319                                     
REMARK   3      L13:   0.0506 L23:  -0.0233                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0084 S12:  -0.0300 S13:  -0.0565                       
REMARK   3      S21:   0.0231 S22:   0.0090 S23:   0.0127                       
REMARK   3      S31:  -0.0046 S32:  -0.0049 S33:  -0.0009                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5E5Z COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-OCT-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000214421.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-MAR-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 291                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-E                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 1136                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 100.000                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 92.9                               
REMARK 200  DATA REDUNDANCY                : 2.900                              
REMARK 200  R MERGE                    (I) : 0.07600                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 17.8600                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 6.59                                      
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.32                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20 MG/ML IN WATER AND MIXED WITH 0.09    
REMARK 280  M HEPES PH 7.5, 1.26M TRI-SODIUM CITRATE, AND 10% GLYCEROL,         
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        4.80450            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DECAMERIC                         
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   BIOMT1   2  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000       -9.60900            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   3  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   3  0.000000  1.000000  0.000000        9.60900            
REMARK 350   BIOMT3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   4  1.000000  0.000000  0.000000        9.64300            
REMARK 350   BIOMT2   4  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   4  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   5  1.000000  0.000000  0.000000        9.64300            
REMARK 350   BIOMT2   5  0.000000  1.000000  0.000000       -9.60900            
REMARK 350   BIOMT3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   6  1.000000  0.000000  0.000000        9.64300            
REMARK 350   BIOMT2   6  0.000000  1.000000  0.000000        9.60900            
REMARK 350   BIOMT3   6  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   7 -1.000000  0.000000  0.000000        9.64300            
REMARK 350   BIOMT2   7  0.000000  1.000000  0.000000       -4.80450            
REMARK 350   BIOMT3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT1   8 -1.000000  0.000000  0.000000        9.64300            
REMARK 350   BIOMT2   8  0.000000  1.000000  0.000000        4.80450            
REMARK 350   BIOMT3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT1   9 -1.000000  0.000000  0.000000       19.28600            
REMARK 350   BIOMT2   9  0.000000  1.000000  0.000000       -4.80450            
REMARK 350   BIOMT3   9  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT1  10 -1.000000  0.000000  0.000000       19.28600            
REMARK 350   BIOMT2  10  0.000000  1.000000  0.000000        4.80450            
REMARK 350   BIOMT3  10  0.000000  0.000000 -1.000000        0.00000            
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5E5V   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5E5X   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5E61   RELATED DB: PDB                                   
DBREF  5E5Z A    1     6  PDB    5E5Z     5E5Z             1      6             
SEQRES   1 A    6  LEU VAL HIS SER SER ASN                                      
FORMUL   2  HOH   *(H2 O)                                                       
CRYST1    9.643    9.609   19.029  90.00 101.22  90.00 P 1 21 1      2          
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      0.103702  0.000000  0.020579        0.00000                         
SCALE2      0.000000  0.104069  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.053576        0.00000                         
ATOM      1  N   LEU A   1       6.078  -0.306  -5.753  1.00  0.00           N  
ANISOU    1  N   LEU A   1        0      0      0      0      0      0       N  
ATOM      2  CA  LEU A   1       5.166  -0.026  -4.647  1.00  2.42           C  
ANISOU    2  CA  LEU A   1      307    307    307      0      0      0       C  
ATOM      3  C   LEU A   1       5.682  -0.642  -3.356  1.00  3.48           C  
ANISOU    3  C   LEU A   1      435    443    445      1      1      9       C  
ATOM      4  O   LEU A   1       6.056  -1.814  -3.322  1.00  3.52           O  
ANISOU    4  O   LEU A   1      436    449    454      2      2     16       O  
ATOM      5  CB  LEU A   1       3.755  -0.555  -4.967  1.00  1.86           C  
ANISOU    5  CB  LEU A   1      232    237    238      1      1      5       C  
ATOM      6  CG  LEU A   1       2.596  -0.354  -3.975  1.00  6.87           C  
ANISOU    6  CG  LEU A   1      861    873    877      2      2     14       C  
ATOM      7  CD1 LEU A   1       2.753  -1.182  -2.704  1.00 11.83           C  
ANISOU    7  CD1 LEU A   1     1481   1504   1512      4      4     27       C  
ATOM      8  CD2 LEU A   1       2.404   1.122  -3.638  1.00  4.27           C  
ANISOU    8  CD2 LEU A   1      537    543    544      1      2      7       C  
ATOM      9  N   VAL A   2       5.715   0.161  -2.297  1.00  0.61           N  
ANISOU    9  N   VAL A   2       71     80     82      2      2     11       N  
ATOM     10  CA  VAL A   2       5.968  -0.352  -0.960  1.00  0.12           C  
ANISOU   10  CA  VAL A   2        1     20     24      4      4     22       C  
ATOM     11  C   VAL A   2       4.976   0.281   0.000  1.00  3.40           C  
ANISOU   11  C   VAL A   2      413    437    440      5      5     27       C  
ATOM     12  O   VAL A   2       4.746   1.489  -0.046  1.00  3.22           O  
ANISOU   12  O   VAL A   2      395    414    414      4      5     20       O  
ATOM     13  CB  VAL A   2       7.400  -0.027  -0.475  1.00  3.56           C  
ANISOU   13  CB  VAL A   2      440    456    458      3      3     18       C  
ATOM     14  CG1 VAL A   2       7.566  -0.421   0.993  1.00  7.93           C  
ANISOU   14  CG1 VAL A   2      986   1012   1016      5      5     30       C  
ATOM     15  CG2 VAL A   2       8.429  -0.722  -1.342  1.00  6.71           C  
ANISOU   15  CG2 VAL A   2      841    853    856      2      2     14       C  
ATOM     16  N   HIS A   3       4.367  -0.537   0.850  1.00  0.22           N  
ANISOU   16  N   HIS A   3        1     38     44      7      8     41       N  
ATOM     17  CA  HIS A   3       3.603  -0.011   1.971  1.00  1.73           C  
ANISOU   17  CA  HIS A   3      189    233    237     10     10     48       C  
ATOM     18  C   HIS A   3       4.003  -0.675   3.280  1.00  1.84           C  
ANISOU   18  C   HIS A   3      194    250    255     12     12     61       C  
ATOM     19  O   HIS A   3       4.208  -1.889   3.338  1.00  0.73           O  
ANISOU   19  O   HIS A   3       47    109    120     11     12     69       O  
ATOM     20  CB  HIS A   3       2.095  -0.177   1.781  1.00  2.62           C  
ANISOU   20  CB  HIS A   3      296    346    351     11     11     54       C  
ATOM     21  CG  HIS A   3       1.324   0.074   3.040  1.00  2.97           C  
ANISOU   21  CG  HIS A   3      335    396    399     14     14     66       C  
ATOM     22  ND1 HIS A   3       0.950  -0.937   3.900  1.00  4.29           N  
ANISOU   22  ND1 HIS A   3      491    566    573     16     17     82       N  
ATOM     23  CD2 HIS A   3       0.921   1.230   3.620  1.00  4.90           C  
ANISOU   23  CD2 HIS A   3      581    642    639     16     16     64       C  
ATOM     24  CE1 HIS A   3       0.321  -0.417   4.940  1.00  5.53           C  
ANISOU   24  CE1 HIS A   3      644    727    729     20     20     89       C  
ATOM     25  NE2 HIS A   3       0.290   0.896   4.794  1.00  6.02           N  
ANISOU   25  NE2 HIS A   3      714    790    785     20     19     78       N  
ATOM     26  N   SER A   4       4.099   0.141   4.326  1.00  0.34           N  
ANISOU   26  N   SER A   4        3     63     63     14     14     62       N  
ATOM     27  CA  SER A   4       4.357  -0.330   5.683  1.00  1.49           C  
ANISOU   27  CA  SER A   4      141    213    213     16     16     75       C  
ATOM     28  C   SER A   4       3.814   0.686   6.681  1.00  2.14           C  
ANISOU   28  C   SER A   4      222    299    292     20     19     78       C  
ATOM     29  O   SER A   4       4.008   1.889   6.507  1.00  3.47           O  
ANISOU   29  O   SER A   4      397    465    454     19     18     68       O  
ATOM     30  CB  SER A   4       5.858  -0.513   5.905  1.00  5.61           C  
ANISOU   30  CB  SER A   4      665    734    734     15     15     72       C  
ATOM     31  OG  SER A   4       6.132  -0.771   7.272  1.00  9.89           O  
ANISOU   31  OG  SER A   4     1200   1280   1278     18     18     83       O  
ATOM     32  N   SER A   5       3.138   0.213   7.725  1.00  2.34           N  
ANISOU   32  N   SER A   5      239    330    322     24     23     93       N  
ATOM     33  CA  SER A   5       2.651   1.119   8.765  1.00  0.66           C  
ANISOU   33  CA  SER A   5       24    123    106     28     26     97       C  
ATOM     34  C   SER A   5       3.677   1.311   9.885  1.00  2.66           C  
ANISOU   34  C   SER A   5      275    378    356     30     27    100       C  
ATOM     35  O   SER A   5       3.411   2.024  10.851  1.00  2.02           O  
ANISOU   35  O   SER A   5      193    303    273     35     30    104       O  
ATOM     36  CB  SER A   5       1.318   0.639   9.350  1.00  2.68           C  
ANISOU   36  CB  SER A   5      269    383    365     32     29    113       C  
ATOM     37  OG  SER A   5       1.478  -0.544  10.117  1.00  2.49           O  
ANISOU   37  OG  SER A   5      236    363    349     33     31    128       O  
ATOM     38  N   ASN A   6       4.838   0.672   9.758  1.00  2.94           N  
ANISOU   38  N   ASN A   6      311    412    394     28     25     98       N  
ATOM     39  CA  ASN A   6       5.912   0.838  10.741  1.00  4.68           C  
ANISOU   39  CA  ASN A   6      530    634    613     29     26    100       C  
ATOM     40  C   ASN A   6       6.574   2.203  10.638  1.00 10.84           C  
ANISOU   40  C   ASN A   6     1320   1413   1387     28     24     87       C  
ATOM     41  O   ASN A   6       7.335   2.594  11.519  1.00 13.68           O  
ANISOU   41  O   ASN A   6     1680   1775   1745     30     26     88       O  
ATOM     42  CB  ASN A   6       6.986  -0.243  10.589  1.00  5.08           C  
ANISOU   42  CB  ASN A   6      579    682    668     27     25    102       C  
ATOM     43  CG  ASN A   6       6.592  -1.558  11.236  1.00  8.08           C  
ANISOU   43  CG  ASN A   6      948   1067   1057     28     27    120       C  
ATOM     44  OD1 ASN A   6       5.576  -1.644  11.923  1.00  8.72           O  
ANISOU   44  OD1 ASN A   6     1022   1152   1139     32     30    131       O  
ATOM     45  ND2 ASN A   6       7.409  -2.588  11.030  1.00  9.89           N  
ANISOU   45  ND2 ASN A   6     1174   1293   1290     25     25    122       N  
ATOM     46  OXT ASN A   6       6.383   2.933   9.667  1.00 14.02           O  
ANISOU   46  OXT ASN A   6     1730   1811   1787     25     22     75       O  
TER      47      ASN A   6                                                      
HETATM   48  O   HOH A 101       8.203   1.052  -4.564  1.00 12.67           O  
ANISOU   48  O   HOH A 101     1605   1605   1605      0      0      0       O  
MASTER      227    0    0    0    0    0    0    6   47    1    0    1          
END                                                                             
