HEADER    DE NOVO PROTEIN                         13-MAY-04   1T8J              
TITLE     NMR STRUCTURE OF BBA5, A COMPACT, INDEPENDENTLY FOLDED BBA MOTIF      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BBA5;                                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED.               
KEYWDS    PROTEIN DESIGN, MINI-PROTEIN, BETA BETA ALPHA, DE NOVO PROTEIN        
EXPDTA    SOLUTION NMR                                                          
AUTHOR    M.D.STRUTHERS,J.J.OTTESEN,B.IMPERIALI                                 
REVDAT   3   02-MAR-22 1T8J    1       REMARK LINK                              
REVDAT   2   24-FEB-09 1T8J    1       VERSN                                    
REVDAT   1   25-MAY-04 1T8J    0                                                
JRNL        AUTH   M.D.STRUTHERS,J.J.OTTESEN,B.IMPERIALI                        
JRNL        TITL   DESIGN AND NMR ANALYSES OF COMPACT, INDEPENDENTLY FOLDED BBA 
JRNL        TITL 2 MOTIFS                                                       
JRNL        REF    FOLD.DES.                     V.   3    95 1998              
JRNL        REFN                   ISSN 1359-0278                               
JRNL        PMID   9565754                                                      
JRNL        DOI    10.1016/S1359-0278(98)00015-7                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : NMRCHITECT                                           
REMARK   3   AUTHORS     : NULL                                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1T8J COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAY-04.                  
REMARK 100 THE DEPOSITION ID IS D_1000022445.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : NULL                               
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : 7.8 MM BBA5, 90% H2O, 10% D2O      
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D TOCSY; DQF-COSY; 2D NOESY;      
REMARK 210                                   ROESY                              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : UNITYPLUS                          
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : NMRCHITECT                         
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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 A   2   NE  -  CZ  -  NH1 ANGL. DEV. =   5.9 DEGREES          
REMARK 500    ARG A   2   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.4 DEGREES          
REMARK 500    ARG A  10   NE  -  CZ  -  NH1 ANGL. DEV. =   5.8 DEGREES          
REMARK 500    ARG A  10   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.3 DEGREES          
REMARK 500    ARG A  19   NE  -  CZ  -  NH1 ANGL. DEV. =   5.8 DEGREES          
REMARK 500    ARG A  19   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.4 DEGREES          
REMARK 500    HIS A  21   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.0 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    ARG A   2      126.87    -21.01                                   
REMARK 500    TYR A   6      138.34   -174.90                                   
REMARK 500    ARG A  10      -68.43   -146.75                                   
REMARK 500    SER A  11       14.24     46.18                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    PHE A   8         0.11    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 24                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1HCW   RELATED DB: PDB                                   
REMARK 900 BBA1 (MONOMER)                                                       
REMARK 900 RELATED ID: 1SN9   RELATED DB: PDB                                   
REMARK 900 BBAT (TETRAMER)                                                      
REMARK 900 RELATED ID: 1SNA   RELATED DB: PDB                                   
REMARK 900 BBAT (TETRAMER, SELENOMETHIONINE MUTANT)                             
REMARK 900 RELATED ID: 1SNE   RELATED DB: PDB                                   
REMARK 900 BBAT (TETRAMER, SELENOMETHIONINE MUTANT)                             
DBREF  1T8J A    0    24  PDB    1T8J     1T8J             0     24             
SEQRES   1 A   25  ACE TYR ARG VAL DPR SER TYR ASP PHE SER ARG SER ASP          
SEQRES   2 A   25  GLU LEU ALA LYS LEU LEU ARG GLN HIS ALA GLY NH2              
MODRES 1T8J DPR A    4  PRO  D-PROLINE                                          
HET    ACE  A   0       6                                                       
HET    DPR  A   4      14                                                       
HET    NH2  A  24       3                                                       
HETNAM     ACE ACETYL GROUP                                                     
HETNAM     DPR D-PROLINE                                                        
HETNAM     NH2 AMINO GROUP                                                      
FORMUL   1  ACE    C2 H4 O                                                      
FORMUL   1  DPR    C5 H9 N O2                                                   
FORMUL   1  NH2    H2 N                                                         
HELIX    1   1 ASP A   12  HIS A   21  1                                  10    
LINK         C   ACE A   0                 N   TYR A   1     1555   1555  1.35  
LINK         C   VAL A   3                 N   DPR A   4     1555   1555  1.38  
LINK         C   DPR A   4                 N   SER A   5     1555   1555  1.35  
LINK         C   GLY A  23                 N   NH2 A  24     1555   1555  1.32  
SITE     1 AC2  1 GLY A  23                                                     
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
HETATM    1  C   ACE A   0      56.822 -43.312  -3.964  1.00  0.00           C  
HETATM    2  O   ACE A   0      56.155 -44.167  -3.391  1.00  0.00           O  
HETATM    3  CH3 ACE A   0      56.739 -43.215  -5.500  1.00  0.00           C  
HETATM    4  H1  ACE A   0      56.566 -42.168  -5.795  1.00  0.00           H  
HETATM    5  H2  ACE A   0      55.915 -43.825  -5.895  1.00  0.00           H  
HETATM    6  H3  ACE A   0      57.690 -43.560  -5.940  1.00  0.00           H  
ATOM      7  N   TYR A   1      57.541 -42.494  -3.160  1.00  0.00           N  
ATOM      8  CA  TYR A   1      58.686 -41.610  -3.514  1.00  0.00           C  
ATOM      9  C   TYR A   1      59.532 -41.368  -2.245  1.00  0.00           C  
ATOM     10  O   TYR A   1      58.926 -41.149  -1.191  1.00  0.00           O  
ATOM     11  CB  TYR A   1      58.221 -40.267  -4.142  1.00  0.00           C  
ATOM     12  CG  TYR A   1      57.040 -39.509  -3.480  1.00  0.00           C  
ATOM     13  CD1 TYR A   1      57.263 -38.655  -2.410  1.00  0.00           C  
ATOM     14  CD2 TYR A   1      55.730 -39.735  -3.901  1.00  0.00           C  
ATOM     15  CE1 TYR A   1      56.209 -37.991  -1.813  1.00  0.00           C  
ATOM     16  CE2 TYR A   1      54.682 -39.066  -3.301  1.00  0.00           C  
ATOM     17  CZ  TYR A   1      54.921 -38.190  -2.263  1.00  0.00           C  
ATOM     18  OH  TYR A   1      53.877 -37.536  -1.664  1.00  0.00           O  
ATOM     19  H   TYR A   1      57.144 -42.358  -2.233  1.00  0.00           H  
ATOM     20  HA  TYR A   1      59.250 -42.218  -4.249  1.00  0.00           H  
ATOM     21  HB2 TYR A   1      59.087 -39.593  -4.222  1.00  0.00           H  
ATOM     22  HB3 TYR A   1      57.945 -40.517  -5.180  1.00  0.00           H  
ATOM     23  HD1 TYR A   1      58.250 -38.522  -1.998  1.00  0.00           H  
ATOM     24  HD2 TYR A   1      55.487 -40.453  -4.680  1.00  0.00           H  
ATOM     25  HE1 TYR A   1      56.393 -37.327  -0.981  1.00  0.00           H  
ATOM     26  HE2 TYR A   1      53.670 -39.242  -3.635  1.00  0.00           H  
ATOM     27  HH  TYR A   1      53.058 -37.795  -2.092  1.00  0.00           H  
ATOM     28  N   ARG A   2      60.900 -41.373  -2.347  1.00  0.00           N  
ATOM     29  CA  ARG A   2      61.888 -41.293  -1.197  1.00  0.00           C  
ATOM     30  C   ARG A   2      61.326 -40.698   0.128  1.00  0.00           C  
ATOM     31  O   ARG A   2      60.743 -39.604   0.058  1.00  0.00           O  
ATOM     32  CB  ARG A   2      63.098 -40.345  -1.491  1.00  0.00           C  
ATOM     33  CG  ARG A   2      64.252 -40.833  -2.404  1.00  0.00           C  
ATOM     34  CD  ARG A   2      65.389 -41.612  -1.693  1.00  0.00           C  
ATOM     35  NE  ARG A   2      66.499 -41.898  -2.638  1.00  0.00           N  
ATOM     36  CZ  ARG A   2      67.765 -42.259  -2.306  1.00  0.00           C  
ATOM     37  NH1 ARG A   2      68.242 -42.422  -1.063  1.00  0.00           N  
ATOM     38  NH2 ARG A   2      68.607 -42.470  -3.302  1.00  0.00           N  
ATOM     39  H   ARG A   2      61.233 -41.536  -3.303  1.00  0.00           H  
ATOM     40  HA  ARG A   2      62.306 -42.317  -1.062  1.00  0.00           H  
ATOM     41  HB2 ARG A   2      62.648 -39.415  -1.888  1.00  0.00           H  
ATOM     42  HB3 ARG A   2      63.544 -39.974  -0.534  1.00  0.00           H  
ATOM     43  HG2 ARG A   2      63.850 -41.432  -3.242  1.00  0.00           H  
ATOM     44  HG3 ARG A   2      64.692 -39.936  -2.877  1.00  0.00           H  
ATOM     45  HD2 ARG A   2      65.776 -41.057  -0.815  1.00  0.00           H  
ATOM     46  HD3 ARG A   2      65.024 -42.559  -1.271  1.00  0.00           H  
ATOM     47  HE  ARG A   2      66.347 -41.831  -3.651  1.00  0.00           H  
ATOM     48 HH11 ARG A   2      67.584 -42.257  -0.294  1.00  0.00           H  
ATOM     49 HH12 ARG A   2      69.227 -42.699  -0.982  1.00  0.00           H  
ATOM     50 HH21 ARG A   2      68.237 -42.344  -4.250  1.00  0.00           H  
ATOM     51 HH22 ARG A   2      69.562 -42.742  -3.045  1.00  0.00           H  
ATOM     52  N   VAL A   3      61.458 -41.387   1.279  1.00  0.00           N  
ATOM     53  CA  VAL A   3      61.154 -40.754   2.611  1.00  0.00           C  
ATOM     54  C   VAL A   3      62.289 -41.333   3.572  1.00  0.00           C  
ATOM     55  O   VAL A   3      61.946 -42.228   4.358  1.00  0.00           O  
ATOM     56  CB  VAL A   3      59.669 -40.840   3.094  1.00  0.00           C  
ATOM     57  CG1 VAL A   3      59.360 -40.203   4.468  1.00  0.00           C  
ATOM     58  CG2 VAL A   3      58.607 -40.316   2.065  1.00  0.00           C  
ATOM     59  H   VAL A   3      61.953 -42.282   1.199  1.00  0.00           H  
ATOM     60  HA  VAL A   3      61.341 -39.664   2.542  1.00  0.00           H  
ATOM     61  HB  VAL A   3      59.638 -41.923   3.239  1.00  0.00           H  
ATOM     62 HG11 VAL A   3      58.340 -40.460   4.814  1.00  0.00           H  
ATOM     63 HG12 VAL A   3      60.066 -40.593   5.219  1.00  0.00           H  
ATOM     64 HG13 VAL A   3      59.462 -39.103   4.432  1.00  0.00           H  
ATOM     65 HG21 VAL A   3      58.570 -40.988   1.184  1.00  0.00           H  
ATOM     66 HG22 VAL A   3      57.574 -40.238   2.433  1.00  0.00           H  
ATOM     67 HG23 VAL A   3      58.883 -39.328   1.655  1.00  0.00           H  
HETATM   68  N   DPR A   4      63.594 -40.871   3.582  1.00  0.00           N  
HETATM   69  CA  DPR A   4      64.587 -41.233   4.623  1.00  0.00           C  
HETATM   70  CB  DPR A   4      65.551 -40.032   4.525  1.00  0.00           C  
HETATM   71  CG  DPR A   4      65.537 -39.548   3.067  1.00  0.00           C  
HETATM   72  CD  DPR A   4      64.149 -39.946   2.570  1.00  0.00           C  
HETATM   73  C   DPR A   4      65.229 -42.628   4.349  1.00  0.00           C  
HETATM   74  O   DPR A   4      65.983 -42.756   3.374  1.00  0.00           O  
HETATM   75  HA  DPR A   4      64.081 -41.210   5.609  1.00  0.00           H  
HETATM   76  HB2 DPR A   4      65.178 -39.220   5.176  1.00  0.00           H  
HETATM   77  HB3 DPR A   4      66.570 -40.281   4.874  1.00  0.00           H  
HETATM   78  HG2 DPR A   4      66.311 -40.077   2.483  1.00  0.00           H  
HETATM   79  HG3 DPR A   4      65.727 -38.463   2.979  1.00  0.00           H  
HETATM   80  HD2 DPR A   4      64.103 -40.510   1.612  1.00  0.00           H  
HETATM   81  HD3 DPR A   4      63.436 -39.108   2.469  1.00  0.00           H  
ATOM     82  N   SER A   5      64.875 -43.653   5.153  1.00  0.00           N  
ATOM     83  CA  SER A   5      65.227 -45.069   4.827  1.00  0.00           C  
ATOM     84  C   SER A   5      64.155 -45.735   3.928  1.00  0.00           C  
ATOM     85  O   SER A   5      63.399 -46.632   4.327  1.00  0.00           O  
ATOM     86  CB  SER A   5      65.566 -45.810   6.132  1.00  0.00           C  
ATOM     87  OG  SER A   5      66.709 -45.233   6.749  1.00  0.00           O  
ATOM     88  H   SER A   5      64.196 -43.416   5.884  1.00  0.00           H  
ATOM     89  HA  SER A   5      66.121 -45.093   4.185  1.00  0.00           H  
ATOM     90  HB2 SER A   5      64.707 -45.778   6.827  1.00  0.00           H  
ATOM     91  HB3 SER A   5      65.762 -46.877   5.921  1.00  0.00           H  
ATOM     92  HG  SER A   5      66.864 -45.743   7.548  1.00  0.00           H  
ATOM     93  N   TYR A   6      64.109 -45.205   2.676  1.00  0.00           N  
ATOM     94  CA  TYR A   6      63.111 -45.536   1.649  1.00  0.00           C  
ATOM     95  C   TYR A   6      63.437 -44.844   0.312  1.00  0.00           C  
ATOM     96  O   TYR A   6      63.742 -43.650   0.283  1.00  0.00           O  
ATOM     97  CB  TYR A   6      61.656 -45.082   1.981  1.00  0.00           C  
ATOM     98  CG  TYR A   6      60.807 -46.067   2.782  1.00  0.00           C  
ATOM     99  CD1 TYR A   6      60.298 -47.211   2.172  1.00  0.00           C  
ATOM    100  CD2 TYR A   6      60.467 -45.787   4.091  1.00  0.00           C  
ATOM    101  CE1 TYR A   6      59.491 -48.070   2.865  1.00  0.00           C  
ATOM    102  CE2 TYR A   6      59.631 -46.634   4.772  1.00  0.00           C  
ATOM    103  CZ  TYR A   6      59.142 -47.783   4.172  1.00  0.00           C  
ATOM    104  OH  TYR A   6      58.297 -48.615   4.858  1.00  0.00           O  
ATOM    105  H   TYR A   6      64.738 -44.406   2.548  1.00  0.00           H  
ATOM    106  HA  TYR A   6      63.065 -46.623   1.545  1.00  0.00           H  
ATOM    107  HB2 TYR A   6      61.709 -44.083   2.439  1.00  0.00           H  
ATOM    108  HB3 TYR A   6      61.124 -44.955   1.028  1.00  0.00           H  
ATOM    109  HD1 TYR A   6      60.519 -47.455   1.140  1.00  0.00           H  
ATOM    110  HD2 TYR A   6      60.812 -44.897   4.602  1.00  0.00           H  
ATOM    111  HE1 TYR A   6      59.127 -48.911   2.302  1.00  0.00           H  
ATOM    112  HE2 TYR A   6      59.368 -46.328   5.763  1.00  0.00           H  
ATOM    113  HH  TYR A   6      58.051 -49.349   4.291  1.00  0.00           H  
ATOM    114  N   ASP A   7      63.250 -45.639  -0.758  1.00  0.00           N  
ATOM    115  CA  ASP A   7      63.034 -45.169  -2.135  1.00  0.00           C  
ATOM    116  C   ASP A   7      61.873 -46.097  -2.613  1.00  0.00           C  
ATOM    117  O   ASP A   7      62.115 -47.146  -3.218  1.00  0.00           O  
ATOM    118  CB  ASP A   7      64.321 -45.075  -2.956  1.00  0.00           C  
ATOM    119  CG  ASP A   7      65.028 -46.367  -3.381  1.00  0.00           C  
ATOM    120  OD1 ASP A   7      65.834 -46.900  -2.589  1.00  0.00           O  
ATOM    121  OD2 ASP A   7      64.777 -46.847  -4.507  1.00  0.00           O  
ATOM    122  H   ASP A   7      63.067 -46.610  -0.535  1.00  0.00           H  
ATOM    123  HA  ASP A   7      62.655 -44.131  -2.121  1.00  0.00           H  
ATOM    124  HB2 ASP A   7      64.056 -44.463  -3.829  1.00  0.00           H  
ATOM    125  HB3 ASP A   7      65.010 -44.466  -2.344  1.00  0.00           H  
ATOM    126  N   PHE A   8      60.623 -45.702  -2.258  1.00  0.00           N  
ATOM    127  CA  PHE A   8      59.375 -46.522  -2.372  1.00  0.00           C  
ATOM    128  C   PHE A   8      59.052 -47.069  -3.793  1.00  0.00           C  
ATOM    129  O   PHE A   8      58.885 -48.285  -3.921  1.00  0.00           O  
ATOM    130  CB  PHE A   8      58.209 -45.743  -1.724  1.00  0.00           C  
ATOM    131  CG  PHE A   8      58.181 -45.589  -0.207  1.00  0.00           C  
ATOM    132  CD1 PHE A   8      58.688 -44.424   0.332  1.00  0.00           C  
ATOM    133  CD2 PHE A   8      57.428 -46.441   0.588  1.00  0.00           C  
ATOM    134  CE1 PHE A   8      58.374 -44.090   1.609  1.00  0.00           C  
ATOM    135  CE2 PHE A   8      57.067 -46.059   1.857  1.00  0.00           C  
ATOM    136  CZ  PHE A   8      57.544 -44.873   2.369  1.00  0.00           C  
ATOM    137  H   PHE A   8      60.606 -44.803  -1.764  1.00  0.00           H  
ATOM    138  HA  PHE A   8      59.430 -47.401  -1.723  1.00  0.00           H  
ATOM    139  HB2 PHE A   8      58.201 -44.740  -2.159  1.00  0.00           H  
ATOM    140  HB3 PHE A   8      57.245 -46.180  -2.016  1.00  0.00           H  
ATOM    141  HD1 PHE A   8      59.260 -43.682  -0.218  1.00  0.00           H  
ATOM    142  HD2 PHE A   8      56.982 -47.338   0.200  1.00  0.00           H  
ATOM    143  HE1 PHE A   8      58.634 -43.108   1.899  1.00  0.00           H  
ATOM    144  HE2 PHE A   8      56.332 -46.651   2.373  1.00  0.00           H  
ATOM    145  HZ  PHE A   8      57.175 -44.439   3.280  1.00  0.00           H  
ATOM    146  N   SER A   9      58.976 -46.202  -4.848  1.00  0.00           N  
ATOM    147  CA  SER A   9      58.453 -46.528  -6.227  1.00  0.00           C  
ATOM    148  C   SER A   9      57.052 -47.244  -6.224  1.00  0.00           C  
ATOM    149  O   SER A   9      56.870 -48.407  -6.606  1.00  0.00           O  
ATOM    150  CB  SER A   9      59.539 -47.228  -7.044  1.00  0.00           C  
ATOM    151  OG  SER A   9      59.094 -47.495  -8.365  1.00  0.00           O  
ATOM    152  H   SER A   9      59.039 -45.231  -4.528  1.00  0.00           H  
ATOM    153  HA  SER A   9      58.343 -45.558  -6.735  1.00  0.00           H  
ATOM    154  HB2 SER A   9      60.426 -46.570  -7.050  1.00  0.00           H  
ATOM    155  HB3 SER A   9      59.790 -48.159  -6.509  1.00  0.00           H  
ATOM    156  HG  SER A   9      59.825 -47.933  -8.808  1.00  0.00           H  
ATOM    157  N   ARG A  10      56.096 -46.470  -5.672  1.00  0.00           N  
ATOM    158  CA  ARG A  10      54.759 -46.926  -5.208  1.00  0.00           C  
ATOM    159  C   ARG A  10      53.667 -45.819  -5.413  1.00  0.00           C  
ATOM    160  O   ARG A  10      52.762 -46.032  -6.223  1.00  0.00           O  
ATOM    161  CB  ARG A  10      54.856 -47.484  -3.741  1.00  0.00           C  
ATOM    162  CG  ARG A  10      55.528 -48.858  -3.456  1.00  0.00           C  
ATOM    163  CD  ARG A  10      54.786 -50.149  -3.874  1.00  0.00           C  
ATOM    164  NE  ARG A  10      54.916 -50.439  -5.330  1.00  0.00           N  
ATOM    165  CZ  ARG A  10      54.238 -51.388  -6.025  1.00  0.00           C  
ATOM    166  NH1 ARG A  10      53.328 -52.237  -5.523  1.00  0.00           N  
ATOM    167  NH2 ARG A  10      54.498 -51.485  -7.315  1.00  0.00           N  
ATOM    168  H   ARG A  10      56.466 -45.551  -5.406  1.00  0.00           H  
ATOM    169  HA  ARG A  10      54.417 -47.786  -5.778  1.00  0.00           H  
ATOM    170  HB2 ARG A  10      55.404 -46.716  -3.161  1.00  0.00           H  
ATOM    171  HB3 ARG A  10      53.844 -47.506  -3.322  1.00  0.00           H  
ATOM    172  HG2 ARG A  10      56.541 -48.851  -3.892  1.00  0.00           H  
ATOM    173  HG3 ARG A  10      55.685 -48.905  -2.364  1.00  0.00           H  
ATOM    174  HD2 ARG A  10      55.197 -51.005  -3.308  1.00  0.00           H  
ATOM    175  HD3 ARG A  10      53.717 -50.091  -3.608  1.00  0.00           H  
ATOM    176  HE  ARG A  10      55.566 -49.897  -5.909  1.00  0.00           H  
ATOM    177 HH11 ARG A  10      53.130 -52.158  -4.520  1.00  0.00           H  
ATOM    178 HH12 ARG A  10      52.904 -52.898  -6.183  1.00  0.00           H  
ATOM    179 HH21 ARG A  10      55.195 -50.833  -7.693  1.00  0.00           H  
ATOM    180 HH22 ARG A  10      53.983 -52.204  -7.835  1.00  0.00           H  
ATOM    181  N   SER A  11      53.722 -44.683  -4.658  1.00  0.00           N  
ATOM    182  CA  SER A  11      52.658 -43.633  -4.500  1.00  0.00           C  
ATOM    183  C   SER A  11      51.156 -44.046  -4.232  1.00  0.00           C  
ATOM    184  O   SER A  11      50.243 -43.213  -4.284  1.00  0.00           O  
ATOM    185  CB  SER A  11      52.839 -42.544  -5.570  1.00  0.00           C  
ATOM    186  OG  SER A  11      52.485 -43.044  -6.851  1.00  0.00           O  
ATOM    187  H   SER A  11      54.539 -44.693  -4.039  1.00  0.00           H  
ATOM    188  HA  SER A  11      52.939 -43.128  -3.552  1.00  0.00           H  
ATOM    189  HB2 SER A  11      52.214 -41.673  -5.306  1.00  0.00           H  
ATOM    190  HB3 SER A  11      53.886 -42.182  -5.568  1.00  0.00           H  
ATOM    191  HG  SER A  11      51.566 -43.314  -6.786  1.00  0.00           H  
ATOM    192  N   ASP A  12      50.955 -45.324  -3.865  1.00  0.00           N  
ATOM    193  CA  ASP A  12      49.722 -45.911  -3.285  1.00  0.00           C  
ATOM    194  C   ASP A  12      50.108 -46.535  -1.903  1.00  0.00           C  
ATOM    195  O   ASP A  12      49.343 -46.312  -0.964  1.00  0.00           O  
ATOM    196  CB  ASP A  12      49.061 -46.856  -4.307  1.00  0.00           C  
ATOM    197  CG  ASP A  12      47.675 -47.363  -3.909  1.00  0.00           C  
ATOM    198  OD1 ASP A  12      47.573 -48.124  -2.922  1.00  0.00           O  
ATOM    199  OD2 ASP A  12      46.685 -47.001  -4.581  1.00  0.00           O  
ATOM    200  H   ASP A  12      51.817 -45.880  -3.885  1.00  0.00           H  
ATOM    201  HA  ASP A  12      48.999 -45.108  -3.069  1.00  0.00           H  
ATOM    202  HB2 ASP A  12      48.947 -46.328  -5.273  1.00  0.00           H  
ATOM    203  HB3 ASP A  12      49.730 -47.711  -4.495  1.00  0.00           H  
ATOM    204  N   GLU A  13      51.258 -47.261  -1.787  1.00  0.00           N  
ATOM    205  CA  GLU A  13      51.904 -47.657  -0.499  1.00  0.00           C  
ATOM    206  C   GLU A  13      52.458 -46.437   0.330  1.00  0.00           C  
ATOM    207  O   GLU A  13      52.334 -46.473   1.557  1.00  0.00           O  
ATOM    208  CB  GLU A  13      53.072 -48.663  -0.833  1.00  0.00           C  
ATOM    209  CG  GLU A  13      53.567 -49.604   0.276  1.00  0.00           C  
ATOM    210  CD  GLU A  13      52.657 -50.796   0.567  1.00  0.00           C  
ATOM    211  OE1 GLU A  13      51.547 -50.589   1.103  1.00  0.00           O  
ATOM    212  OE2 GLU A  13      53.051 -51.942   0.261  1.00  0.00           O  
ATOM    213  H   GLU A  13      51.801 -47.284  -2.655  1.00  0.00           H  
ATOM    214  HA  GLU A  13      51.121 -48.151   0.121  1.00  0.00           H  
ATOM    215  HB2 GLU A  13      52.871 -49.286  -1.720  1.00  0.00           H  
ATOM    216  HB3 GLU A  13      53.968 -48.076  -1.137  1.00  0.00           H  
ATOM    217  HG2 GLU A  13      54.556 -49.978  -0.043  1.00  0.00           H  
ATOM    218  HG3 GLU A  13      53.742 -49.010   1.190  1.00  0.00           H  
ATOM    219  N   LEU A  14      53.091 -45.429  -0.323  1.00  0.00           N  
ATOM    220  CA  LEU A  14      53.482 -44.146   0.319  1.00  0.00           C  
ATOM    221  C   LEU A  14      52.405 -43.014   0.320  1.00  0.00           C  
ATOM    222  O   LEU A  14      52.688 -41.932   0.845  1.00  0.00           O  
ATOM    223  CB  LEU A  14      54.906 -43.750  -0.203  1.00  0.00           C  
ATOM    224  CG  LEU A  14      55.655 -42.433   0.243  1.00  0.00           C  
ATOM    225  CD1 LEU A  14      55.320 -41.254  -0.694  1.00  0.00           C  
ATOM    226  CD2 LEU A  14      55.576 -42.067   1.765  1.00  0.00           C  
ATOM    227  H   LEU A  14      53.024 -45.506  -1.344  1.00  0.00           H  
ATOM    228  HA  LEU A  14      53.643 -44.340   1.398  1.00  0.00           H  
ATOM    229  HB2 LEU A  14      55.571 -44.562   0.123  1.00  0.00           H  
ATOM    230  HB3 LEU A  14      54.934 -43.853  -1.309  1.00  0.00           H  
ATOM    231  HG  LEU A  14      56.721 -42.602   0.032  1.00  0.00           H  
ATOM    232 HD11 LEU A  14      55.493 -41.517  -1.755  1.00  0.00           H  
ATOM    233 HD12 LEU A  14      55.968 -40.388  -0.477  1.00  0.00           H  
ATOM    234 HD13 LEU A  14      54.270 -40.939  -0.610  1.00  0.00           H  
ATOM    235 HD21 LEU A  14      54.642 -42.428   2.236  1.00  0.00           H  
ATOM    236 HD22 LEU A  14      55.619 -40.988   1.980  1.00  0.00           H  
ATOM    237 HD23 LEU A  14      56.385 -42.506   2.358  1.00  0.00           H  
ATOM    238  N   ALA A  15      51.221 -43.222  -0.279  1.00  0.00           N  
ATOM    239  CA  ALA A  15      50.032 -42.385  -0.063  1.00  0.00           C  
ATOM    240  C   ALA A  15      49.271 -42.966   1.136  1.00  0.00           C  
ATOM    241  O   ALA A  15      48.722 -42.155   1.862  1.00  0.00           O  
ATOM    242  CB  ALA A  15      49.160 -42.465  -1.312  1.00  0.00           C  
ATOM    243  H   ALA A  15      51.018 -44.203  -0.486  1.00  0.00           H  
ATOM    244  HA  ALA A  15      50.302 -41.336   0.195  1.00  0.00           H  
ATOM    245  HB1 ALA A  15      48.872 -43.522  -1.493  1.00  0.00           H  
ATOM    246  HB2 ALA A  15      49.705 -42.094  -2.191  1.00  0.00           H  
ATOM    247  HB3 ALA A  15      48.232 -41.894  -1.158  1.00  0.00           H  
ATOM    248  N   LYS A  16      49.328 -44.304   1.362  1.00  0.00           N  
ATOM    249  CA  LYS A  16      48.862 -45.011   2.562  1.00  0.00           C  
ATOM    250  C   LYS A  16      49.314 -44.443   3.956  1.00  0.00           C  
ATOM    251  O   LYS A  16      48.484 -44.307   4.856  1.00  0.00           O  
ATOM    252  CB  LYS A  16      49.366 -46.473   2.366  1.00  0.00           C  
ATOM    253  CG  LYS A  16      48.484 -47.590   2.928  1.00  0.00           C  
ATOM    254  CD  LYS A  16      49.044 -48.999   2.597  1.00  0.00           C  
ATOM    255  CE  LYS A  16      48.145 -50.207   2.873  1.00  0.00           C  
ATOM    256  NZ  LYS A  16      48.051 -50.584   4.298  1.00  0.00           N  
ATOM    257  H   LYS A  16      49.801 -44.845   0.629  1.00  0.00           H  
ATOM    258  HA  LYS A  16      47.777 -44.907   2.424  1.00  0.00           H  
ATOM    259  HB2 LYS A  16      49.583 -46.687   1.308  1.00  0.00           H  
ATOM    260  HB3 LYS A  16      50.361 -46.544   2.851  1.00  0.00           H  
ATOM    261  HG2 LYS A  16      48.423 -47.441   4.022  1.00  0.00           H  
ATOM    262  HG3 LYS A  16      47.468 -47.466   2.521  1.00  0.00           H  
ATOM    263  HD2 LYS A  16      49.268 -49.048   1.512  1.00  0.00           H  
ATOM    264  HD3 LYS A  16      50.017 -49.125   3.103  1.00  0.00           H  
ATOM    265  HE2 LYS A  16      47.142 -50.032   2.446  1.00  0.00           H  
ATOM    266  HE3 LYS A  16      48.570 -51.057   2.309  1.00  0.00           H  
ATOM    267  HZ1 LYS A  16      47.464 -51.415   4.432  1.00  0.00           H  
ATOM    268  HZ2 LYS A  16      47.644 -49.831   4.863  1.00  0.00           H  
ATOM    269  HZ3 LYS A  16      48.974 -50.797   4.695  1.00  0.00           H  
ATOM    270  N   LEU A  17      50.632 -44.149   4.071  1.00  0.00           N  
ATOM    271  CA  LEU A  17      51.301 -43.591   5.269  1.00  0.00           C  
ATOM    272  C   LEU A  17      50.891 -42.092   5.534  1.00  0.00           C  
ATOM    273  O   LEU A  17      50.569 -41.741   6.672  1.00  0.00           O  
ATOM    274  CB  LEU A  17      52.849 -43.769   5.196  1.00  0.00           C  
ATOM    275  CG  LEU A  17      53.490 -45.206   5.243  1.00  0.00           C  
ATOM    276  CD1 LEU A  17      54.830 -45.283   4.481  1.00  0.00           C  
ATOM    277  CD2 LEU A  17      53.659 -45.781   6.672  1.00  0.00           C  
ATOM    278  H   LEU A  17      51.158 -44.379   3.229  1.00  0.00           H  
ATOM    279  HA  LEU A  17      51.002 -44.262   6.071  1.00  0.00           H  
ATOM    280  HB2 LEU A  17      53.100 -43.243   4.257  1.00  0.00           H  
ATOM    281  HB3 LEU A  17      53.287 -43.154   6.000  1.00  0.00           H  
ATOM    282  HG  LEU A  17      52.781 -45.856   4.705  1.00  0.00           H  
ATOM    283 HD11 LEU A  17      55.604 -44.645   4.949  1.00  0.00           H  
ATOM    284 HD12 LEU A  17      55.236 -46.311   4.421  1.00  0.00           H  
ATOM    285 HD13 LEU A  17      54.724 -44.933   3.436  1.00  0.00           H  
ATOM    286 HD21 LEU A  17      52.698 -45.765   7.216  1.00  0.00           H  
ATOM    287 HD22 LEU A  17      54.378 -45.185   7.266  1.00  0.00           H  
ATOM    288 HD23 LEU A  17      54.013 -46.830   6.668  1.00  0.00           H  
ATOM    289  N   LEU A  18      50.899 -41.267   4.457  1.00  0.00           N  
ATOM    290  CA  LEU A  18      50.325 -39.885   4.400  1.00  0.00           C  
ATOM    291  C   LEU A  18      48.763 -39.810   4.580  1.00  0.00           C  
ATOM    292  O   LEU A  18      48.265 -38.819   5.119  1.00  0.00           O  
ATOM    293  CB  LEU A  18      50.866 -39.255   3.053  1.00  0.00           C  
ATOM    294  CG  LEU A  18      52.295 -38.573   3.036  1.00  0.00           C  
ATOM    295  CD1 LEU A  18      53.508 -39.534   3.230  1.00  0.00           C  
ATOM    296  CD2 LEU A  18      52.529 -37.760   1.733  1.00  0.00           C  
ATOM    297  H   LEU A  18      51.090 -41.792   3.592  1.00  0.00           H  
ATOM    298  HA  LEU A  18      50.739 -39.320   5.261  1.00  0.00           H  
ATOM    299  HB2 LEU A  18      50.822 -39.991   2.217  1.00  0.00           H  
ATOM    300  HB3 LEU A  18      50.116 -38.507   2.720  1.00  0.00           H  
ATOM    301  HG  LEU A  18      52.315 -37.851   3.872  1.00  0.00           H  
ATOM    302 HD11 LEU A  18      54.492 -39.024   3.247  1.00  0.00           H  
ATOM    303 HD12 LEU A  18      53.531 -40.293   2.432  1.00  0.00           H  
ATOM    304 HD13 LEU A  18      53.427 -40.086   4.184  1.00  0.00           H  
ATOM    305 HD21 LEU A  18      52.546 -38.412   0.838  1.00  0.00           H  
ATOM    306 HD22 LEU A  18      51.733 -37.012   1.573  1.00  0.00           H  
ATOM    307 HD23 LEU A  18      53.483 -37.196   1.744  1.00  0.00           H  
ATOM    308  N   ARG A  19      48.040 -40.869   4.160  1.00  0.00           N  
ATOM    309  CA  ARG A  19      46.601 -41.160   4.441  1.00  0.00           C  
ATOM    310  C   ARG A  19      46.344 -41.474   5.954  1.00  0.00           C  
ATOM    311  O   ARG A  19      45.461 -40.856   6.556  1.00  0.00           O  
ATOM    312  CB  ARG A  19      46.198 -42.339   3.471  1.00  0.00           C  
ATOM    313  CG  ARG A  19      45.689 -41.890   2.091  1.00  0.00           C  
ATOM    314  CD  ARG A  19      45.381 -43.033   1.116  1.00  0.00           C  
ATOM    315  NE  ARG A  19      44.924 -42.473  -0.183  1.00  0.00           N  
ATOM    316  CZ  ARG A  19      43.915 -42.943  -0.963  1.00  0.00           C  
ATOM    317  NH1 ARG A  19      43.129 -43.995  -0.690  1.00  0.00           N  
ATOM    318  NH2 ARG A  19      43.687 -42.303  -2.096  1.00  0.00           N  
ATOM    319  H   ARG A  19      48.584 -41.643   3.756  1.00  0.00           H  
ATOM    320  HA  ARG A  19      46.006 -40.258   4.197  1.00  0.00           H  
ATOM    321  HB2 ARG A  19      47.061 -43.025   3.330  1.00  0.00           H  
ATOM    322  HB3 ARG A  19      45.458 -43.010   3.928  1.00  0.00           H  
ATOM    323  HG2 ARG A  19      44.802 -41.260   2.273  1.00  0.00           H  
ATOM    324  HG3 ARG A  19      46.471 -41.234   1.664  1.00  0.00           H  
ATOM    325  HD2 ARG A  19      46.291 -43.640   0.952  1.00  0.00           H  
ATOM    326  HD3 ARG A  19      44.621 -43.709   1.549  1.00  0.00           H  
ATOM    327  HE  ARG A  19      45.406 -41.662  -0.584  1.00  0.00           H  
ATOM    328 HH11 ARG A  19      43.311 -44.487   0.191  1.00  0.00           H  
ATOM    329 HH12 ARG A  19      42.409 -44.222  -1.385  1.00  0.00           H  
ATOM    330 HH21 ARG A  19      44.291 -41.500  -2.299  1.00  0.00           H  
ATOM    331 HH22 ARG A  19      42.924 -42.663  -2.680  1.00  0.00           H  
ATOM    332  N   GLN A  20      47.176 -42.368   6.539  1.00  0.00           N  
ATOM    333  CA  GLN A  20      47.279 -42.658   7.989  1.00  0.00           C  
ATOM    334  C   GLN A  20      47.637 -41.424   8.898  1.00  0.00           C  
ATOM    335  O   GLN A  20      46.997 -41.278   9.944  1.00  0.00           O  
ATOM    336  CB  GLN A  20      48.254 -43.860   8.241  1.00  0.00           C  
ATOM    337  CG  GLN A  20      47.832 -45.299   7.846  1.00  0.00           C  
ATOM    338  CD  GLN A  20      46.782 -45.940   8.770  1.00  0.00           C  
ATOM    339  OE1 GLN A  20      45.581 -45.762   8.575  1.00  0.00           O  
ATOM    340  NE2 GLN A  20      47.201 -46.688   9.780  1.00  0.00           N  
ATOM    341  H   GLN A  20      47.717 -42.886   5.848  1.00  0.00           H  
ATOM    342  HA  GLN A  20      46.270 -42.987   8.243  1.00  0.00           H  
ATOM    343  HB2 GLN A  20      49.203 -43.637   7.718  1.00  0.00           H  
ATOM    344  HB3 GLN A  20      48.532 -43.902   9.309  1.00  0.00           H  
ATOM    345  HG2 GLN A  20      47.436 -45.284   6.816  1.00  0.00           H  
ATOM    346  HG3 GLN A  20      48.743 -45.927   7.788  1.00  0.00           H  
ATOM    347 HE21 GLN A  20      48.217 -46.793   9.884  1.00  0.00           H  
ATOM    348 HE22 GLN A  20      46.477 -47.101  10.378  1.00  0.00           H  
ATOM    349  N   HIS A  21      48.609 -40.564   8.487  1.00  0.00           N  
ATOM    350  CA  HIS A  21      48.958 -39.289   9.169  1.00  0.00           C  
ATOM    351  C   HIS A  21      48.097 -38.173   8.504  1.00  0.00           C  
ATOM    352  O   HIS A  21      48.461 -37.619   7.457  1.00  0.00           O  
ATOM    353  CB  HIS A  21      50.488 -39.029   9.050  1.00  0.00           C  
ATOM    354  CG  HIS A  21      51.364 -39.862   9.975  1.00  0.00           C  
ATOM    355  ND1 HIS A  21      51.603 -39.561  11.304  1.00  0.00           N  
ATOM    356  CD2 HIS A  21      52.044 -41.034   9.606  1.00  0.00           C  
ATOM    357  CE1 HIS A  21      52.427 -40.604  11.635  1.00  0.00           C  
ATOM    358  NE2 HIS A  21      52.749 -41.538  10.685  1.00  0.00           N  
ATOM    359  H   HIS A  21      49.049 -40.823   7.597  1.00  0.00           H  
ATOM    360  HA  HIS A  21      48.718 -39.361  10.252  1.00  0.00           H  
ATOM    361  HB2 HIS A  21      50.819 -39.163   8.000  1.00  0.00           H  
ATOM    362  HB3 HIS A  21      50.696 -37.965   9.266  1.00  0.00           H  
ATOM    363  HD1 HIS A  21      51.261 -38.781  11.877  1.00  0.00           H  
ATOM    364  HD2 HIS A  21      52.024 -41.480   8.623  1.00  0.00           H  
ATOM    365  HE1 HIS A  21      52.821 -40.689  12.637  1.00  0.00           H  
ATOM    366  HE2 HIS A  21      53.344 -42.371  10.754  1.00  0.00           H  
ATOM    367  N   ALA A  22      46.916 -37.903   9.109  1.00  0.00           N  
ATOM    368  CA  ALA A  22      45.911 -36.917   8.600  1.00  0.00           C  
ATOM    369  C   ALA A  22      45.393 -35.881   9.643  1.00  0.00           C  
ATOM    370  O   ALA A  22      45.313 -34.704   9.271  1.00  0.00           O  
ATOM    371  CB  ALA A  22      44.767 -37.674   7.897  1.00  0.00           C  
ATOM    372  H   ALA A  22      46.742 -38.450   9.959  1.00  0.00           H  
ATOM    373  HA  ALA A  22      46.388 -36.302   7.817  1.00  0.00           H  
ATOM    374  HB1 ALA A  22      44.045 -36.974   7.439  1.00  0.00           H  
ATOM    375  HB2 ALA A  22      44.213 -38.314   8.606  1.00  0.00           H  
ATOM    376  HB3 ALA A  22      45.155 -38.325   7.092  1.00  0.00           H  
ATOM    377  N   GLY A  23      45.047 -36.292  10.886  1.00  0.00           N  
ATOM    378  CA  GLY A  23      44.547 -35.375  11.931  1.00  0.00           C  
ATOM    379  C   GLY A  23      44.232 -36.070  13.262  1.00  0.00           C  
ATOM    380  O   GLY A  23      44.378 -37.278  13.453  1.00  0.00           O  
ATOM    381  H   GLY A  23      45.192 -37.294  11.039  1.00  0.00           H  
ATOM    382  HA2 GLY A  23      45.295 -34.579  12.100  1.00  0.00           H  
ATOM    383  HA3 GLY A  23      43.639 -34.866  11.559  1.00  0.00           H  
HETATM  384  N   NH2 A  24      43.782 -35.284  14.224  1.00  0.00           N  
HETATM  385  HN1 NH2 A  24      43.684 -34.288  13.996  1.00  0.00           H  
HETATM  386  HN2 NH2 A  24      43.566 -35.733  15.121  1.00  0.00           H  
TER     387      NH2 A  24                                                      
CONECT    1    2    3    7                                                      
CONECT    2    1                                                                
CONECT    3    1    4    5    6                                                 
CONECT    4    3                                                                
CONECT    5    3                                                                
CONECT    6    3                                                                
CONECT    7    1                                                                
CONECT   54   68                                                                
CONECT   68   54   69   72                                                      
CONECT   69   68   70   73   75                                                 
CONECT   70   69   71   76   77                                                 
CONECT   71   70   72   78   79                                                 
CONECT   72   68   71   80   81                                                 
CONECT   73   69   74   82                                                      
CONECT   74   73                                                                
CONECT   75   69                                                                
CONECT   76   70                                                                
CONECT   77   70                                                                
CONECT   78   71                                                                
CONECT   79   71                                                                
CONECT   80   72                                                                
CONECT   81   72                                                                
CONECT   82   73                                                                
CONECT  379  384                                                                
CONECT  384  379  385  386                                                      
CONECT  385  384                                                                
CONECT  386  384                                                                
MASTER      141    0    3    1    0    0    1    6  195    1   27    2          
END