HEADER    TOXIN                                   04-APR-01   1IDG              
TITLE     THE NMR SOLUTION STRUCTURE OF THE COMPLEX FORMED BETWEEN ALPHA-       
TITLE    2 BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE                            
CAVEAT     1IDG    THERE ARE SEVERAL CHIRALITY ERRORS IN CHAINS A AND B.        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ALPHA-BUNGAROTOXIN;                                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: LONG NEUROTOXIN 1;                                          
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: ACETYLCHOLINE RECEPTOR PROTEIN, ALPHA CHAIN;               
COMPND   7 CHAIN: B;                                                            
COMPND   8 SYNONYM: NACHR-ALPHA1-SUBUNIT;                                       
COMPND   9 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS;                          
SOURCE   3 ORGANISM_COMMON: MANY-BANDED KRAIT;                                  
SOURCE   4 ORGANISM_TAXID: 8616;                                                
SOURCE   5 OTHER_DETAILS: PURCHASED FROM SIGMA;                                 
SOURCE   6 MOL_ID: 2;                                                           
SOURCE   7 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA;                            
SOURCE   8 ORGANISM_COMMON: PACIFIC ELECTRIC RAY;                               
SOURCE   9 ORGANISM_TAXID: 7787;                                                
SOURCE  10 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  11 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  12 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE  13 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  14 EXPRESSION_SYSTEM_PLASMID: PET-31B(+)                                
KEYWDS    ALPHA-BUNGAROTOXIN, NICOTINIC ACETYLCHOLINE RECEPTOR, ALPHA 1         
KEYWDS   2 SUBUNIT, PROTEIN-PROTEIN INTERACTION, CATION-PI INTERACTION, TOXIN   
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    H.ZENG,L.MOISE,M.A.GRANT,E.HAWROT                                     
REVDAT   7   23-FEB-22 1IDG    1       REMARK                                   
REVDAT   6   24-FEB-09 1IDG    1       VERSN                                    
REVDAT   5   30-SEP-03 1IDG    1       JRNL   DBREF                             
REVDAT   4   21-NOV-01 1IDG    1       ATOM                                     
REVDAT   3   14-NOV-01 1IDG    1       REMARK SEQRES SEQADV                     
REVDAT   2   27-JUN-01 1IDG    1       JRNL                                     
REVDAT   1   25-APR-01 1IDG    0                                                
JRNL        AUTH   H.ZENG,L.MOISE,M.A.GRANT,E.HAWROT                            
JRNL        TITL   THE SOLUTION STRUCTURE OF THE COMPLEX FORMED BETWEEN         
JRNL        TITL 2 ALPHA-BUNGAROTOXIN AND AN 18-MER COGNATE PEPTIDE DERIVED     
JRNL        TITL 3 FROM THE ALPHA 1 SUBUNIT OF THE NICOTINIC ACETYLCHOLINE      
JRNL        TITL 4 RECEPTOR FROM TORPEDO CALIFORNICA.                           
JRNL        REF    J.BIOL.CHEM.                  V. 276 22930 2001              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   11312275                                                     
JRNL        DOI    10.1074/JBC.M102300200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XWINNMR 2.1, CNSSOLVE 1.0                            
REMARK   3   AUTHORS     : BRUKER (XWINNMR), BRUNGER, A.T. ET AL. (CNSSOLVE)    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1IDG COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-APR-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000013180.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 308                                
REMARK 210  PH                             : 4.0                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 2.1 MM ALPHA                       
REMARK 210                                   -BUNGAROTOXIN/ALPHA18MER COMPLEX,  
REMARK 210                                   ALPHA18MER IS 15N LABELED, 50      
REMARK 210                                   MM PERDEUTERATED POTASSIUM         
REMARK 210                                   ACETATE BUFFER (PH 4.0) WITH 5%    
REMARK 210                                   D2O AND 0.05% SODIUM AZIDE         
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_TOCSY; 3D HNHA;   
REMARK 210                                   3D_15N-SEPARATED_NOESY; 2D_TOCSY;  
REMARK 210                                   2D_NOESY; 2D 1H-15N HSQC           
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE 1.8, SPARKY 3.95           
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY AND SIMULATED    
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1                                  
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: THE CHIRALITY ERROR IS IN THR 6 CB, OG1; ILE 11 CB, CG2;     
REMARK 210  AND THR 196 CB, OG1. THERE IS NO CHIRALITY ERROR IF MOLMOL IS       
REMARK 210  USED TO VIEW THE STRUCTURE.                                         
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465     RES C SSSEQI                                                     
REMARK 465     HSL B   199                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
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   C    ALA A    31     C    PHE A    32              1.43            
REMARK 500   N    PRO A    73     N    GLY A    74              1.52            
REMARK 500   C    GLY A    19     H    GLU A    20              1.57            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    HIS A   4   CG    HIS A   4   CD2     0.057                       
REMARK 500    HIS A  68   CG    HIS A  68   CD2     0.056                       
REMARK 500    ARG A  72   C     PRO A  73   N       0.147                       
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    HIS A   4   ND1 -  CE1 -  NE2 ANGL. DEV. =   7.8 DEGREES          
REMARK 500    GLU A  20   N   -  CA  -  C   ANGL. DEV. = -63.1 DEGREES          
REMARK 500    GLU A  20   CA  -  C   -  N   ANGL. DEV. = -18.0 DEGREES          
REMARK 500    ARG A  25   NE  -  CZ  -  NH1 ANGL. DEV. =   4.1 DEGREES          
REMARK 500    PHE A  32   CB  -  CA  -  C   ANGL. DEV. =  16.5 DEGREES          
REMARK 500    PHE A  32   N   -  CA  -  C   ANGL. DEV. = -57.7 DEGREES          
REMARK 500    PHE A  32   CA  -  C   -  O   ANGL. DEV. = -15.8 DEGREES          
REMARK 500    PHE A  32   CA  -  C   -  N   ANGL. DEV. = -14.2 DEGREES          
REMARK 500    PHE A  32   O   -  C   -  N   ANGL. DEV. =  -9.8 DEGREES          
REMARK 500    ARG A  36   NE  -  CZ  -  NH1 ANGL. DEV. =   3.9 DEGREES          
REMARK 500    HIS A  68   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.0 DEGREES          
REMARK 500    ARG A  72   N   -  CA  -  CB  ANGL. DEV. =  16.5 DEGREES          
REMARK 500    ARG A  72   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500    ARG A  72   N   -  CA  -  C   ANGL. DEV. = -61.1 DEGREES          
REMARK 500    PRO A  73   CA  -  N   -  CD  ANGL. DEV. = -23.1 DEGREES          
REMARK 500    PRO A  73   N   -  CA  -  CB  ANGL. DEV. =  18.0 DEGREES          
REMARK 500    PRO A  73   N   -  CD  -  CG  ANGL. DEV. =  14.3 DEGREES          
REMARK 500    PRO A  73   N   -  CA  -  C   ANGL. DEV. = -60.6 DEGREES          
REMARK 500    PRO A  73   O   -  C   -  N   ANGL. DEV. = -12.0 DEGREES          
REMARK 500    ARG B 182   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500    TRP B 184   N   -  CA  -  CB  ANGL. DEV. =  14.1 DEGREES          
REMARK 500    HIS B 186   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.1 DEGREES          
REMARK 500    TRP B 187   CB  -  CA  -  C   ANGL. DEV. =  13.3 DEGREES          
REMARK 500    TRP B 187   CA  -  C   -  N   ANGL. DEV. =  15.3 DEGREES          
REMARK 500    TRP B 187   O   -  C   -  N   ANGL. DEV. = -10.3 DEGREES          
REMARK 500    VAL B 188   CB  -  CA  -  C   ANGL. DEV. =  12.9 DEGREES          
REMARK 500    VAL B 188   CA  -  CB  -  CG2 ANGL. DEV. =  11.1 DEGREES          
REMARK 500    VAL B 188   O   -  C   -  N   ANGL. DEV. = -11.1 DEGREES          
REMARK 500    CYS B 193   CB  -  CA  -  C   ANGL. DEV. =   7.3 DEGREES          
REMARK 500    THR B 196   CA  -  CB  -  CG2 ANGL. DEV. =  10.6 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    THR A   6      -95.56     68.62                                   
REMARK 500    THR A   8      -47.55     72.29                                   
REMARK 500    SER A  12     -103.63   -165.23                                   
REMARK 500    VAL A  14     -140.94   -111.11                                   
REMARK 500    THR A  15      128.53     80.01                                   
REMARK 500    PRO A  17      -62.47   -100.43                                   
REMARK 500    PRO A  18      -72.87    -68.92                                   
REMARK 500    GLU A  20      125.00    177.08                                   
REMARK 500    ASN A  21     -133.25     82.88                                   
REMARK 500    TYR A  24       86.60    -45.97                                   
REMARK 500    CYS A  29       76.90     56.33                                   
REMARK 500    ALA A  31     -112.78   -155.58                                   
REMARK 500    PHE A  32     -124.31      5.09                                   
REMARK 500    CYS A  33       94.03     50.99                                   
REMARK 500    SER A  34      -70.01    -77.91                                   
REMARK 500    SER A  35       74.85   -116.26                                   
REMARK 500    LYS A  38       57.74     39.59                                   
REMARK 500    GLU A  41      -83.71   -167.44                                   
REMARK 500    LEU A  42      129.37     48.29                                   
REMARK 500    CYS A  44      143.74     62.94                                   
REMARK 500    LYS A  51       16.64    178.40                                   
REMARK 500    LYS A  52     -168.96   -110.78                                   
REMARK 500    PRO A  53      -70.43    -72.44                                   
REMARK 500    GLU A  55     -138.75   -114.74                                   
REMARK 500    GLU A  56      -75.79    157.30                                   
REMARK 500    CYS A  59      150.56     57.27                                   
REMARK 500    THR A  62      -65.24     86.01                                   
REMARK 500    ASP A  63     -157.99   -132.69                                   
REMARK 500    LYS A  64       85.32    -35.97                                   
REMARK 500    PRO A  67      -91.11    -78.02                                   
REMARK 500    HIS A  68     -172.04    177.40                                   
REMARK 500    GLN A  71       21.52     31.55                                   
REMARK 500    ARG B 182      110.17     19.15                                   
REMARK 500    TRP B 184      108.60     94.32                                   
REMARK 500    LYS B 185       99.87     41.82                                   
REMARK 500    HIS B 186     -170.03     66.28                                   
REMARK 500    TRP B 187     -101.01   -128.79                                   
REMARK 500    VAL B 188      177.85     66.26                                   
REMARK 500    TYR B 189       63.65     93.71                                   
REMARK 500    THR B 191      -16.68    -32.35                                   
REMARK 500    CYS B 193       65.85     61.95                                   
REMARK 500    PRO B 194     -175.08    -55.42                                   
REMARK 500    PRO B 197      -73.11    -88.79                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 THR A    5     THR A    6                  121.19                    
REMARK 500 THR A    6     ALA A    7                 -139.48                    
REMARK 500 THR A    8     SER A    9                 -140.04                    
REMARK 500 ALA A   13     VAL A   14                 -143.04                    
REMARK 500 CYS A   16     PRO A   17                 -146.43                    
REMARK 500 PRO A   18     GLY A   19                  129.62                    
REMARK 500 GLU A   20     ASN A   21                  114.94                    
REMARK 500 ASN A   21     LEU A   22                 -134.56                    
REMARK 500 ALA A   31     PHE A   32                  121.98                    
REMARK 500 PHE A   32     CYS A   33                 -112.60                    
REMARK 500 GLU A   55     GLU A   56                 -135.05                    
REMARK 500 ASP A   63     LYS A   64                  122.88                    
REMARK 500 HIS A   68     PRO A   69                  130.69                    
REMARK 500 LYS A   70     GLN A   71                  149.59                    
REMARK 500 ARG A   72     PRO A   73                 -105.65                    
REMARK 500 PRO A   73     GLY A   74                 -104.65                    
REMARK 500 TYR B  181     ARG B  182                  106.10                    
REMARK 500 TRP B  184     LYS B  185                  110.90                    
REMARK 500 HIS B  186     TRP B  187                 -146.30                    
REMARK 500 TYR B  190     THR B  191                  139.72                    
REMARK 500 PRO B  194     ASP B  195                 -108.61                    
REMARK 500 PRO B  197     TYR B  198                  144.35                    
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    TYR A  24         0.07    SIDE CHAIN                              
REMARK 500    ARG A  36         0.08    SIDE CHAIN                              
REMARK 500    TYR A  54         0.10    SIDE CHAIN                              
REMARK 500    ARG A  72         0.08    SIDE CHAIN                              
REMARK 500    TYR B 181         0.07    SIDE CHAIN                              
REMARK 500    TYR B 189         0.08    SIDE CHAIN                              
REMARK 500    TYR B 190         0.14    SIDE CHAIN                              
REMARK 500    TYR B 198         0.07    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    GLU A  20        -18.24                                           
REMARK 500    ALA A  31         29.76                                           
REMARK 500    PHE A  32         34.60                                           
REMARK 500    ARG A  72        -16.00                                           
REMARK 500    PRO A  73        -24.09                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1IDH   RELATED DB: PDB                                   
REMARK 900 1IDH IS 20 ENSEMBLE STRUCTURES OF THE COMPLEX BETWEEN ALPHA-         
REMARK 900 BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE                            
REMARK 900 RELATED ID: 1IDI   RELATED DB: PDB                                   
REMARK 900 1IDI IS THE AVERAGE STRUCTURE OF ALPHA-BUNGAROTOXIN                  
REMARK 900 RELATED ID: 1IDL   RELATED DB: PDB                                   
REMARK 900 1IDL IS 20 ENSEMBLE STRUCTURES OF ALPHA-BUNGAROTOXIN                 
DBREF  1IDG A    1    74  UNP    P60615   NXL1A_BUNMU      1     74             
DBREF  1IDG B  181   198  UNP    P02710   ACHA_TORCA     205    222             
SEQADV 1IDG HSL B  199  UNP  P02710              CLONING ARTIFACT               
SEQRES   1 A   74  ILE VAL CYS HIS THR THR ALA THR SER PRO ILE SER ALA          
SEQRES   2 A   74  VAL THR CYS PRO PRO GLY GLU ASN LEU CYS TYR ARG LYS          
SEQRES   3 A   74  MET TRP CYS ASP ALA PHE CYS SER SER ARG GLY LYS VAL          
SEQRES   4 A   74  VAL GLU LEU GLY CYS ALA ALA THR CYS PRO SER LYS LYS          
SEQRES   5 A   74  PRO TYR GLU GLU VAL THR CYS CYS SER THR ASP LYS CYS          
SEQRES   6 A   74  ASN PRO HIS PRO LYS GLN ARG PRO GLY                          
SEQRES   1 B   19  TYR ARG GLY TRP LYS HIS TRP VAL TYR TYR THR CYS CYS          
SEQRES   2 B   19  PRO ASP THR PRO TYR HSL                                      
SSBOND   1 CYS A    3    CYS A   23                          1555   1555  2.01  
SSBOND   2 CYS A   16    CYS A   44                          1555   1555  2.00  
SSBOND   3 CYS A   29    CYS A   33                          1555   1555  2.00  
SSBOND   4 CYS A   48    CYS A   59                          1555   1555  2.01  
SSBOND   5 CYS A   60    CYS A   65                          1555   1555  2.00  
SSBOND   6 CYS B  192    CYS B  193                          1555   1555  2.04  
CISPEP   1 GLY A   19    GLU A   20          0        23.54                     
CISPEP   2 GLY B  183    TRP B  184          0        -4.48                     
CISPEP   3 LYS B  185    HIS B  186          0        11.62                     
CISPEP   4 TRP B  187    VAL B  188          0       -19.73                     
CISPEP   5 VAL B  188    TYR B  189          0       -21.40                     
CISPEP   6 ASP B  195    THR B  196          0       -13.27                     
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                         
ATOM      1  N   ILE A   1      -3.234  17.757  -7.198  1.00  0.00           N  
ATOM      2  CA  ILE A   1      -2.532  16.448  -7.248  1.00  0.00           C  
ATOM      3  C   ILE A   1      -3.126  15.604  -6.085  1.00  0.00           C  
ATOM      4  O   ILE A   1      -2.901  15.909  -4.907  1.00  0.00           O  
ATOM      5  CB  ILE A   1      -0.971  16.619  -7.243  1.00  0.00           C  
ATOM      6  CG1 ILE A   1      -0.396  17.482  -8.414  1.00  0.00           C  
ATOM      7  CG2 ILE A   1      -0.216  15.266  -7.155  1.00  0.00           C  
ATOM      8  CD1 ILE A   1      -0.860  17.135  -9.840  1.00  0.00           C  
ATOM      9  H1  ILE A   1      -2.852  18.361  -6.462  1.00  0.00           H  
ATOM     10  H2  ILE A   1      -4.231  17.634  -6.989  1.00  0.00           H  
ATOM     11  H3  ILE A   1      -3.163  18.270  -8.086  1.00  0.00           H  
ATOM     12  HA  ILE A   1      -2.811  15.985  -8.215  1.00  0.00           H  
ATOM     13  HB  ILE A   1      -0.699  17.163  -6.315  1.00  0.00           H  
ATOM     14 HG12 ILE A   1      -0.628  18.547  -8.215  1.00  0.00           H  
ATOM     15 HG13 ILE A   1       0.710  17.436  -8.401  1.00  0.00           H  
ATOM     16 HG21 ILE A   1       0.880  15.387  -7.221  1.00  0.00           H  
ATOM     17 HG22 ILE A   1      -0.517  14.557  -7.946  1.00  0.00           H  
ATOM     18 HG23 ILE A   1      -0.407  14.766  -6.188  1.00  0.00           H  
ATOM     19 HD11 ILE A   1      -0.667  16.078 -10.081  1.00  0.00           H  
ATOM     20 HD12 ILE A   1      -0.344  17.752 -10.601  1.00  0.00           H  
ATOM     21 HD13 ILE A   1      -1.943  17.312  -9.962  1.00  0.00           H  
ATOM     22  N   VAL A   2      -3.928  14.579  -6.434  1.00  0.00           N  
ATOM     23  CA  VAL A   2      -4.924  13.989  -5.496  1.00  0.00           C  
ATOM     24  C   VAL A   2      -4.833  12.436  -5.562  1.00  0.00           C  
ATOM     25  O   VAL A   2      -5.257  11.800  -6.532  1.00  0.00           O  
ATOM     26  CB  VAL A   2      -6.348  14.604  -5.772  1.00  0.00           C  
ATOM     27  CG1 VAL A   2      -7.551  13.743  -5.314  1.00  0.00           C  
ATOM     28  CG2 VAL A   2      -6.453  16.011  -5.135  1.00  0.00           C  
ATOM     29  H   VAL A   2      -3.972  14.396  -7.442  1.00  0.00           H  
ATOM     30  HA  VAL A   2      -4.658  14.293  -4.459  1.00  0.00           H  
ATOM     31  HB  VAL A   2      -6.483  14.732  -6.863  1.00  0.00           H  
ATOM     32 HG11 VAL A   2      -7.613  12.803  -5.896  1.00  0.00           H  
ATOM     33 HG12 VAL A   2      -8.517  14.261  -5.460  1.00  0.00           H  
ATOM     34 HG13 VAL A   2      -7.469  13.455  -4.250  1.00  0.00           H  
ATOM     35 HG21 VAL A   2      -6.184  15.992  -4.062  1.00  0.00           H  
ATOM     36 HG22 VAL A   2      -5.765  16.731  -5.617  1.00  0.00           H  
ATOM     37 HG23 VAL A   2      -7.466  16.441  -5.212  1.00  0.00           H  
ATOM     38  N   CYS A   3      -4.367  11.866  -4.439  1.00  0.00           N  
ATOM     39  CA  CYS A   3      -4.440  10.417  -4.125  1.00  0.00           C  
ATOM     40  C   CYS A   3      -5.897   9.947  -3.818  1.00  0.00           C  
ATOM     41  O   CYS A   3      -6.722  10.747  -3.367  1.00  0.00           O  
ATOM     42  CB  CYS A   3      -3.501  10.207  -2.900  1.00  0.00           C  
ATOM     43  SG  CYS A   3      -2.587   8.662  -3.002  1.00  0.00           S  
ATOM     44  H   CYS A   3      -4.016  12.537  -3.749  1.00  0.00           H  
ATOM     45  HA  CYS A   3      -4.040   9.858  -4.983  1.00  0.00           H  
ATOM     46  HB2 CYS A   3      -2.715  10.982  -2.817  1.00  0.00           H  
ATOM     47  HB3 CYS A   3      -4.052  10.251  -1.940  1.00  0.00           H  
ATOM     48  N   HIS A   4      -6.208   8.645  -4.002  1.00  0.00           N  
ATOM     49  CA  HIS A   4      -7.453   8.035  -3.428  1.00  0.00           C  
ATOM     50  C   HIS A   4      -7.278   7.800  -1.880  1.00  0.00           C  
ATOM     51  O   HIS A   4      -6.233   8.130  -1.301  1.00  0.00           O  
ATOM     52  CB  HIS A   4      -7.842   6.697  -4.139  1.00  0.00           C  
ATOM     53  CG  HIS A   4      -7.923   6.551  -5.664  1.00  0.00           C  
ATOM     54  ND1 HIS A   4      -7.881   5.300  -6.270  1.00  0.00           N  
ATOM     55  CD2 HIS A   4      -8.070   7.549  -6.651  1.00  0.00           C  
ATOM     56  CE1 HIS A   4      -7.965   5.657  -7.587  1.00  0.00           C  
ATOM     57  NE2 HIS A   4      -8.097   6.977  -7.916  1.00  0.00           N  
ATOM     58  H   HIS A   4      -5.433   8.059  -4.335  1.00  0.00           H  
ATOM     59  HA  HIS A   4      -8.297   8.733  -3.588  1.00  0.00           H  
ATOM     60  HB2 HIS A   4      -7.167   5.898  -3.772  1.00  0.00           H  
ATOM     61  HB3 HIS A   4      -8.841   6.400  -3.762  1.00  0.00           H  
ATOM     62  HD1 HIS A   4      -7.850   4.369  -5.838  1.00  0.00           H  
ATOM     63  HD2 HIS A   4      -8.103   8.612  -6.461  1.00  0.00           H  
ATOM     64  HE1 HIS A   4      -7.903   4.906  -8.361  1.00  0.00           H  
ATOM     65  HE2 HIS A   4      -8.095   7.424  -8.840  1.00  0.00           H  
ATOM     66  N   THR A   5      -8.259   7.168  -1.191  1.00  0.00           N  
ATOM     67  CA  THR A   5      -7.971   6.478   0.101  1.00  0.00           C  
ATOM     68  C   THR A   5      -7.415   5.050  -0.194  1.00  0.00           C  
ATOM     69  O   THR A   5      -8.137   4.049  -0.225  1.00  0.00           O  
ATOM     70  CB  THR A   5      -9.135   6.412   1.128  1.00  0.00           C  
ATOM     71  OG1 THR A   5     -10.293   5.846   0.534  1.00  0.00           O  
ATOM     72  CG2 THR A   5      -9.504   7.731   1.823  1.00  0.00           C  
ATOM     73  H   THR A   5      -9.107   6.966  -1.732  1.00  0.00           H  
ATOM     74  HA  THR A   5      -7.181   7.042   0.645  1.00  0.00           H  
ATOM     75  HB  THR A   5      -8.819   5.730   1.942  1.00  0.00           H  
ATOM     76  HG1 THR A   5     -10.614   6.512  -0.078  1.00  0.00           H  
ATOM     77 HG21 THR A   5     -10.248   8.313   1.255  1.00  0.00           H  
ATOM     78 HG22 THR A   5      -8.627   8.379   1.989  1.00  0.00           H  
ATOM     79 HG23 THR A   5      -9.942   7.535   2.818  1.00  0.00           H  
ATOM     80  N   THR A   6      -6.088   4.981  -0.330  1.00  0.00           N  
ATOM     81  CA  THR A   6      -5.252   4.122   0.538  1.00  0.00           C  
ATOM     82  C   THR A   6      -5.414   2.585   0.353  1.00  0.00           C  
ATOM     83  O   THR A   6      -4.725   1.995  -0.484  1.00  0.00           O  
ATOM     84  CB  THR A   6      -5.066   4.674   1.997  1.00  0.00           C  
ATOM     85  OG1 THR A   6      -4.679   6.047   1.951  1.00  0.00           O  
ATOM     86  CG2 THR A   6      -6.251   4.548   2.989  1.00  0.00           C  
ATOM     87  H   THR A   6      -5.693   5.890  -0.599  1.00  0.00           H  
ATOM     88  HA  THR A   6      -4.248   4.293   0.120  1.00  0.00           H  
ATOM     89  HB  THR A   6      -4.210   4.116   2.430  1.00  0.00           H  
ATOM     90  HG1 THR A   6      -4.620   6.330   2.866  1.00  0.00           H  
ATOM     91 HG21 THR A   6      -7.151   4.087   2.548  1.00  0.00           H  
ATOM     92 HG22 THR A   6      -6.566   5.518   3.416  1.00  0.00           H  
ATOM     93 HG23 THR A   6      -5.967   3.925   3.854  1.00  0.00           H  
ATOM     94  N   ALA A   7      -6.257   1.950   1.180  1.00  0.00           N  
ATOM     95  CA  ALA A   7      -5.949   0.624   1.761  1.00  0.00           C  
ATOM     96  C   ALA A   7      -7.254  -0.070   2.187  1.00  0.00           C  
ATOM     97  O   ALA A   7      -8.081   0.514   2.895  1.00  0.00           O  
ATOM     98  CB  ALA A   7      -5.004   0.765   2.970  1.00  0.00           C  
ATOM     99  H   ALA A   7      -6.937   2.571   1.632  1.00  0.00           H  
ATOM    100  HA  ALA A   7      -5.442   0.024   0.993  1.00  0.00           H  
ATOM    101  HB1 ALA A   7      -4.038   1.225   2.685  1.00  0.00           H  
ATOM    102  HB2 ALA A   7      -4.774  -0.219   3.423  1.00  0.00           H  
ATOM    103  HB3 ALA A   7      -5.441   1.402   3.760  1.00  0.00           H  
ATOM    104  N   THR A   8      -7.443  -1.295   1.664  1.00  0.00           N  
ATOM    105  CA  THR A   8      -8.788  -1.879   1.382  1.00  0.00           C  
ATOM    106  C   THR A   8      -9.503  -1.225   0.155  1.00  0.00           C  
ATOM    107  O   THR A   8     -10.040  -1.958  -0.676  1.00  0.00           O  
ATOM    108  CB  THR A   8      -9.759  -2.143   2.580  1.00  0.00           C  
ATOM    109  OG1 THR A   8     -10.264  -0.936   3.135  1.00  0.00           O  
ATOM    110  CG2 THR A   8      -9.171  -2.974   3.733  1.00  0.00           C  
ATOM    111  H   THR A   8      -6.623  -1.640   1.150  1.00  0.00           H  
ATOM    112  HA  THR A   8      -8.544  -2.895   1.026  1.00  0.00           H  
ATOM    113  HB  THR A   8     -10.629  -2.709   2.195  1.00  0.00           H  
ATOM    114  HG1 THR A   8      -9.505  -0.509   3.541  1.00  0.00           H  
ATOM    115 HG21 THR A   8      -9.916  -3.106   4.544  1.00  0.00           H  
ATOM    116 HG22 THR A   8      -8.292  -2.480   4.188  1.00  0.00           H  
ATOM    117 HG23 THR A   8      -8.860  -3.985   3.400  1.00  0.00           H  
ATOM    118  N   SER A   9      -9.546   0.121   0.059  1.00  0.00           N  
ATOM    119  CA  SER A   9     -10.747   0.841  -0.413  1.00  0.00           C  
ATOM    120  C   SER A   9     -10.617   1.530  -1.808  1.00  0.00           C  
ATOM    121  O   SER A   9      -9.522   1.978  -2.170  1.00  0.00           O  
ATOM    122  CB  SER A   9     -11.080   1.968   0.604  1.00  0.00           C  
ATOM    123  OG  SER A   9     -11.130   1.522   1.952  1.00  0.00           O  
ATOM    124  H   SER A   9      -8.956   0.575   0.761  1.00  0.00           H  
ATOM    125  HA  SER A   9     -11.589   0.122  -0.423  1.00  0.00           H  
ATOM    126  HB2 SER A   9     -10.338   2.779   0.540  1.00  0.00           H  
ATOM    127  HB3 SER A   9     -12.054   2.434   0.362  1.00  0.00           H  
ATOM    128  HG  SER A   9     -11.648   0.714   1.937  1.00  0.00           H  
ATOM    129  N   PRO A  10     -11.742   1.770  -2.541  1.00  0.00           N  
ATOM    130  CA  PRO A  10     -11.839   2.847  -3.559  1.00  0.00           C  
ATOM    131  C   PRO A  10     -11.956   4.322  -3.021  1.00  0.00           C  
ATOM    132  O   PRO A  10     -11.309   5.186  -3.616  1.00  0.00           O  
ATOM    133  CB  PRO A  10     -13.074   2.400  -4.369  1.00  0.00           C  
ATOM    134  CG  PRO A  10     -13.965   1.650  -3.379  1.00  0.00           C  
ATOM    135  CD  PRO A  10     -12.990   0.986  -2.412  1.00  0.00           C  
ATOM    136  HA  PRO A  10     -10.955   2.796  -4.223  1.00  0.00           H  
ATOM    137  HB2 PRO A  10     -13.613   3.226  -4.868  1.00  0.00           H  
ATOM    138  HB3 PRO A  10     -12.757   1.714  -5.176  1.00  0.00           H  
ATOM    139  HG2 PRO A  10     -14.601   2.366  -2.839  1.00  0.00           H  
ATOM    140  HG3 PRO A  10     -14.654   0.930  -3.862  1.00  0.00           H  
ATOM    141  HD2 PRO A  10     -13.396   0.991  -1.386  1.00  0.00           H  
ATOM    142  HD3 PRO A  10     -12.812  -0.066  -2.700  1.00  0.00           H  
ATOM    143  N   ILE A  11     -12.774   4.612  -1.980  1.00  0.00           N  
ATOM    144  CA  ILE A  11     -13.291   5.984  -1.676  1.00  0.00           C  
ATOM    145  C   ILE A  11     -13.182   6.361  -0.159  1.00  0.00           C  
ATOM    146  O   ILE A  11     -13.316   5.495   0.715  1.00  0.00           O  
ATOM    147  CB  ILE A  11     -14.779   6.176  -2.142  1.00  0.00           C  
ATOM    148  CG1 ILE A  11     -14.910   6.281  -3.691  1.00  0.00           C  
ATOM    149  CG2 ILE A  11     -15.781   5.164  -1.505  1.00  0.00           C  
ATOM    150  CD1 ILE A  11     -16.334   6.499  -4.225  1.00  0.00           C  
ATOM    151  H   ILE A  11     -13.193   3.791  -1.530  1.00  0.00           H  
ATOM    152  HA  ILE A  11     -12.691   6.721  -2.230  1.00  0.00           H  
ATOM    153  HB  ILE A  11     -15.080   7.175  -1.766  1.00  0.00           H  
ATOM    154 HG12 ILE A  11     -14.272   7.110  -4.053  1.00  0.00           H  
ATOM    155 HG13 ILE A  11     -14.504   5.371  -4.166  1.00  0.00           H  
ATOM    156 HG21 ILE A  11     -16.844   5.463  -1.644  1.00  0.00           H  
ATOM    157 HG22 ILE A  11     -15.649   5.082  -0.421  1.00  0.00           H  
ATOM    158 HG23 ILE A  11     -15.642   4.139  -1.914  1.00  0.00           H  
ATOM    159 HD11 ILE A  11     -16.347   6.810  -5.289  1.00  0.00           H  
ATOM    160 HD12 ILE A  11     -16.942   5.583  -4.164  1.00  0.00           H  
ATOM    161 HD13 ILE A  11     -16.876   7.273  -3.666  1.00  0.00           H  
ATOM    162  N   SER A  12     -13.041   7.677   0.132  1.00  0.00           N  
ATOM    163  CA  SER A  12     -13.527   8.283   1.403  1.00  0.00           C  
ATOM    164  C   SER A  12     -13.543   9.836   1.242  1.00  0.00           C  
ATOM    165  O   SER A  12     -14.458  10.349   0.589  1.00  0.00           O  
ATOM    166  CB  SER A  12     -12.908   7.696   2.716  1.00  0.00           C  
ATOM    167  OG  SER A  12     -13.910   7.081   3.522  1.00  0.00           O  
ATOM    168  H   SER A  12     -12.896   8.268  -0.694  1.00  0.00           H  
ATOM    169  HA  SER A  12     -14.603   8.017   1.432  1.00  0.00           H  
ATOM    170  HB2 SER A  12     -12.151   6.931   2.492  1.00  0.00           H  
ATOM    171  HB3 SER A  12     -12.363   8.449   3.320  1.00  0.00           H  
ATOM    172  HG  SER A  12     -14.398   6.489   2.944  1.00  0.00           H  
ATOM    173  N   ALA A  13     -12.576  10.585   1.814  1.00  0.00           N  
ATOM    174  CA  ALA A  13     -12.433  12.050   1.600  1.00  0.00           C  
ATOM    175  C   ALA A  13     -10.920  12.378   1.690  1.00  0.00           C  
ATOM    176  O   ALA A  13     -10.279  12.169   2.729  1.00  0.00           O  
ATOM    177  CB  ALA A  13     -13.272  12.862   2.606  1.00  0.00           C  
ATOM    178  H   ALA A  13     -11.896  10.058   2.377  1.00  0.00           H  
ATOM    179  HA  ALA A  13     -12.811  12.302   0.587  1.00  0.00           H  
ATOM    180  HB1 ALA A  13     -14.348  12.618   2.519  1.00  0.00           H  
ATOM    181  HB2 ALA A  13     -13.183  13.949   2.419  1.00  0.00           H  
ATOM    182  HB3 ALA A  13     -12.971  12.679   3.656  1.00  0.00           H  
ATOM    183  N   VAL A  14     -10.336  12.810   0.560  1.00  0.00           N  
ATOM    184  CA  VAL A  14      -8.941  12.421   0.197  1.00  0.00           C  
ATOM    185  C   VAL A  14      -7.959  13.640   0.277  1.00  0.00           C  
ATOM    186  O   VAL A  14      -8.041  14.422   1.229  1.00  0.00           O  
ATOM    187  CB  VAL A  14      -8.990  11.561  -1.124  1.00  0.00           C  
ATOM    188  CG1 VAL A  14      -9.730  10.219  -0.945  1.00  0.00           C  
ATOM    189  CG2 VAL A  14      -9.529  12.262  -2.393  1.00  0.00           C  
ATOM    190  H   VAL A  14     -11.008  13.000  -0.189  1.00  0.00           H  
ATOM    191  HA  VAL A  14      -8.535  11.732   0.968  1.00  0.00           H  
ATOM    192  HB  VAL A  14      -7.945  11.281  -1.336  1.00  0.00           H  
ATOM    193 HG11 VAL A  14     -10.796  10.346  -0.676  1.00  0.00           H  
ATOM    194 HG12 VAL A  14      -9.691   9.589  -1.852  1.00  0.00           H  
ATOM    195 HG13 VAL A  14      -9.257   9.637  -0.140  1.00  0.00           H  
ATOM    196 HG21 VAL A  14     -10.604  12.508  -2.309  1.00  0.00           H  
ATOM    197 HG22 VAL A  14      -9.405  11.628  -3.294  1.00  0.00           H  
ATOM    198 HG23 VAL A  14      -9.003  13.212  -2.596  1.00  0.00           H  
ATOM    199  N   THR A  15      -6.997  13.761  -0.667  1.00  0.00           N  
ATOM    200  CA  THR A  15      -5.968  14.847  -0.733  1.00  0.00           C  
ATOM    201  C   THR A  15      -4.770  14.597   0.247  1.00  0.00           C  
ATOM    202  O   THR A  15      -4.991  14.425   1.450  1.00  0.00           O  
ATOM    203  CB  THR A  15      -6.457  16.339  -0.696  1.00  0.00           C  
ATOM    204  OG1 THR A  15      -6.669  16.794   0.634  1.00  0.00           O  
ATOM    205  CG2 THR A  15      -7.734  16.678  -1.487  1.00  0.00           C  
ATOM    206  H   THR A  15      -7.065  13.056  -1.411  1.00  0.00           H  
ATOM    207  HA  THR A  15      -5.571  14.729  -1.762  1.00  0.00           H  
ATOM    208  HB  THR A  15      -5.642  16.954  -1.119  1.00  0.00           H  
ATOM    209  HG1 THR A  15      -7.426  16.304   0.964  1.00  0.00           H  
ATOM    210 HG21 THR A  15      -7.708  16.290  -2.518  1.00  0.00           H  
ATOM    211 HG22 THR A  15      -7.887  17.772  -1.551  1.00  0.00           H  
ATOM    212 HG23 THR A  15      -8.638  16.256  -1.008  1.00  0.00           H  
ATOM    213  N   CYS A  16      -3.514  14.661  -0.258  1.00  0.00           N  
ATOM    214  CA  CYS A  16      -2.307  14.896   0.595  1.00  0.00           C  
ATOM    215  C   CYS A  16      -1.980  16.436   0.527  1.00  0.00           C  
ATOM    216  O   CYS A  16      -1.375  16.841  -0.474  1.00  0.00           O  
ATOM    217  CB  CYS A  16      -1.117  14.011   0.162  1.00  0.00           C  
ATOM    218  SG  CYS A  16       0.311  14.455   1.187  1.00  0.00           S  
ATOM    219  H   CYS A  16      -3.479  14.785  -1.276  1.00  0.00           H  
ATOM    220  HA  CYS A  16      -2.493  14.569   1.633  1.00  0.00           H  
ATOM    221  HB2 CYS A  16      -1.341  12.937   0.301  1.00  0.00           H  
ATOM    222  HB3 CYS A  16      -0.867  14.142  -0.909  1.00  0.00           H  
ATOM    223  N   PRO A  17      -2.399  17.353   1.463  1.00  0.00           N  
ATOM    224  CA  PRO A  17      -2.739  18.751   1.069  1.00  0.00           C  
ATOM    225  C   PRO A  17      -1.755  19.963   1.272  1.00  0.00           C  
ATOM    226  O   PRO A  17      -1.491  20.591   0.240  1.00  0.00           O  
ATOM    227  CB  PRO A  17      -4.116  18.986   1.717  1.00  0.00           C  
ATOM    228  CG  PRO A  17      -4.282  17.952   2.834  1.00  0.00           C  
ATOM    229  CD  PRO A  17      -3.108  16.980   2.710  1.00  0.00           C  
ATOM    230  HA  PRO A  17      -2.951  18.739  -0.020  1.00  0.00           H  
ATOM    231  HB2 PRO A  17      -4.252  20.020   2.088  1.00  0.00           H  
ATOM    232  HB3 PRO A  17      -4.904  18.841   0.953  1.00  0.00           H  
ATOM    233  HG2 PRO A  17      -4.296  18.423   3.834  1.00  0.00           H  
ATOM    234  HG3 PRO A  17      -5.247  17.419   2.733  1.00  0.00           H  
ATOM    235  HD2 PRO A  17      -2.418  17.073   3.568  1.00  0.00           H  
ATOM    236  HD3 PRO A  17      -3.491  15.950   2.757  1.00  0.00           H  
ATOM    237  N   PRO A  18      -1.273  20.440   2.471  1.00  0.00           N  
ATOM    238  CA  PRO A  18      -0.824  21.855   2.672  1.00  0.00           C  
ATOM    239  C   PRO A  18       0.487  22.213   1.905  1.00  0.00           C  
ATOM    240  O   PRO A  18       0.419  22.841   0.842  1.00  0.00           O  
ATOM    241  CB  PRO A  18      -0.762  21.975   4.213  1.00  0.00           C  
ATOM    242  CG  PRO A  18      -0.459  20.553   4.689  1.00  0.00           C  
ATOM    243  CD  PRO A  18      -1.268  19.674   3.732  1.00  0.00           C  
ATOM    244  HA  PRO A  18      -1.623  22.536   2.316  1.00  0.00           H  
ATOM    245  HB2 PRO A  18      -0.021  22.710   4.570  1.00  0.00           H  
ATOM    246  HB3 PRO A  18      -1.735  22.306   4.620  1.00  0.00           H  
ATOM    247  HG2 PRO A  18       0.622  20.345   4.577  1.00  0.00           H  
ATOM    248  HG3 PRO A  18      -0.713  20.384   5.750  1.00  0.00           H  
ATOM    249  HD2 PRO A  18      -0.800  18.681   3.619  1.00  0.00           H  
ATOM    250  HD3 PRO A  18      -2.291  19.530   4.121  1.00  0.00           H  
ATOM    251  N   GLY A  19       1.639  21.709   2.369  1.00  0.00           N  
ATOM    252  CA  GLY A  19       2.576  21.008   1.476  1.00  0.00           C  
ATOM    253  C   GLY A  19       2.347  19.459   1.460  1.00  0.00           C  
ATOM    254  O   GLY A  19       1.397  18.910   2.030  1.00  0.00           O  
ATOM    255  H   GLY A  19       1.570  21.404   3.348  1.00  0.00           H  
ATOM    256  HA2 GLY A  19       2.504  21.399   0.440  1.00  0.00           H  
ATOM    257  HA3 GLY A  19       3.610  21.248   1.801  1.00  0.00           H  
ATOM    258  N   GLU A  20       3.206  18.683   0.792  1.00  0.00           N  
ATOM    259  CA  GLU A  20       4.528  18.968   0.462  1.00  0.00           C  
ATOM    260  C   GLU A  20       3.579  17.608   0.227  1.00  0.00           C  
ATOM    261  O   GLU A  20       3.552  16.620   0.969  1.00  0.00           O  
ATOM    262  CB  GLU A  20       5.562  18.956   1.610  1.00  0.00           C  
ATOM    263  CG  GLU A  20       6.983  19.279   1.110  1.00  0.00           C  
ATOM    264  CD  GLU A  20       7.327  20.772   1.192  1.00  0.00           C  
ATOM    265  OE1 GLU A  20       6.844  21.547   0.337  1.00  0.00           O  
ATOM    266  OE2 GLU A  20       8.052  21.178   2.127  1.00  0.00           O  
ATOM    267  H   GLU A  20       3.071  18.068   1.602  1.00  0.00           H  
ATOM    268  HA  GLU A  20       4.590  19.747  -0.320  1.00  0.00           H  
ATOM    269  HB2 GLU A  20       5.265  19.660   2.413  1.00  0.00           H  
ATOM    270  HB3 GLU A  20       5.566  17.975   2.124  1.00  0.00           H  
ATOM    271  HG2 GLU A  20       7.702  18.705   1.720  1.00  0.00           H  
ATOM    272  HG3 GLU A  20       7.144  18.903   0.078  1.00  0.00           H  
ATOM    273  N   ASN A  21       3.718  17.477  -1.104  1.00  0.00           N  
ATOM    274  CA  ASN A  21       4.396  16.316  -1.749  1.00  0.00           C  
ATOM    275  C   ASN A  21       3.511  15.049  -1.941  1.00  0.00           C  
ATOM    276  O   ASN A  21       2.438  15.138  -2.546  1.00  0.00           O  
ATOM    277  CB  ASN A  21       5.894  16.172  -1.254  1.00  0.00           C  
ATOM    278  CG  ASN A  21       6.959  16.830  -2.161  1.00  0.00           C  
ATOM    279  OD1 ASN A  21       6.765  17.894  -2.746  1.00  0.00           O  
ATOM    280  ND2 ASN A  21       8.143  16.251  -2.257  1.00  0.00           N  
ATOM    281  H   ASN A  21       3.702  18.380  -1.591  1.00  0.00           H  
ATOM    282  HA  ASN A  21       4.478  16.651  -2.808  1.00  0.00           H  
ATOM    283  HB2 ASN A  21       6.039  16.568  -0.228  1.00  0.00           H  
ATOM    284  HB3 ASN A  21       6.154  15.115  -1.099  1.00  0.00           H  
ATOM    285 HD21 ASN A  21       8.272  15.411  -1.684  1.00  0.00           H  
ATOM    286 HD22 ASN A  21       8.761  16.627  -2.987  1.00  0.00           H  
ATOM    287  N   LEU A  22       4.015  13.855  -1.587  1.00  0.00           N  
ATOM    288  CA  LEU A  22       3.888  12.655  -2.462  1.00  0.00           C  
ATOM    289  C   LEU A  22       3.218  11.518  -1.650  1.00  0.00           C  
ATOM    290  O   LEU A  22       3.395  11.424  -0.429  1.00  0.00           O  
ATOM    291  CB  LEU A  22       5.276  12.183  -3.015  1.00  0.00           C  
ATOM    292  CG  LEU A  22       6.300  13.234  -3.565  1.00  0.00           C  
ATOM    293  CD1 LEU A  22       7.626  12.581  -4.003  1.00  0.00           C  
ATOM    294  CD2 LEU A  22       5.734  14.172  -4.657  1.00  0.00           C  
ATOM    295  H   LEU A  22       4.787  13.913  -0.912  1.00  0.00           H  
ATOM    296  HA  LEU A  22       3.261  12.895  -3.345  1.00  0.00           H  
ATOM    297  HB2 LEU A  22       5.801  11.605  -2.228  1.00  0.00           H  
ATOM    298  HB3 LEU A  22       5.085  11.424  -3.797  1.00  0.00           H  
ATOM    299  HG  LEU A  22       6.573  13.884  -2.723  1.00  0.00           H  
ATOM    300 HD11 LEU A  22       8.338  13.345  -4.382  1.00  0.00           H  
ATOM    301 HD12 LEU A  22       7.464  11.858  -4.821  1.00  0.00           H  
ATOM    302 HD13 LEU A  22       8.117  12.043  -3.164  1.00  0.00           H  
ATOM    303 HD21 LEU A  22       6.485  14.498  -5.394  1.00  0.00           H  
ATOM    304 HD22 LEU A  22       4.889  13.727  -5.214  1.00  0.00           H  
ATOM    305 HD23 LEU A  22       5.339  15.105  -4.229  1.00  0.00           H  
ATOM    306  N   CYS A  23       2.445  10.639  -2.323  1.00  0.00           N  
ATOM    307  CA  CYS A  23       1.573   9.637  -1.643  1.00  0.00           C  
ATOM    308  C   CYS A  23       2.308   8.315  -1.232  1.00  0.00           C  
ATOM    309  O   CYS A  23       1.965   7.220  -1.678  1.00  0.00           O  
ATOM    310  CB  CYS A  23       0.370   9.450  -2.597  1.00  0.00           C  
ATOM    311  SG  CYS A  23      -1.028   8.730  -1.739  1.00  0.00           S  
ATOM    312  H   CYS A  23       2.393  10.787  -3.341  1.00  0.00           H  
ATOM    313  HA  CYS A  23       1.159  10.099  -0.724  1.00  0.00           H  
ATOM    314  HB2 CYS A  23       0.007  10.414  -3.005  1.00  0.00           H  
ATOM    315  HB3 CYS A  23       0.629   8.836  -3.477  1.00  0.00           H  
ATOM    316  N   TYR A  24       3.294   8.481  -0.332  1.00  0.00           N  
ATOM    317  CA  TYR A  24       4.421   7.557  -0.007  1.00  0.00           C  
ATOM    318  C   TYR A  24       4.087   6.047   0.190  1.00  0.00           C  
ATOM    319  O   TYR A  24       3.854   5.588   1.312  1.00  0.00           O  
ATOM    320  CB  TYR A  24       5.021   8.248   1.264  1.00  0.00           C  
ATOM    321  CG  TYR A  24       6.347   7.775   1.876  1.00  0.00           C  
ATOM    322  CD1 TYR A  24       7.554   7.993   1.202  1.00  0.00           C  
ATOM    323  CD2 TYR A  24       6.373   7.327   3.203  1.00  0.00           C  
ATOM    324  CE1 TYR A  24       8.767   7.786   1.851  1.00  0.00           C  
ATOM    325  CE2 TYR A  24       7.588   7.109   3.849  1.00  0.00           C  
ATOM    326  CZ  TYR A  24       8.786   7.343   3.174  1.00  0.00           C  
ATOM    327  OH  TYR A  24       9.987   7.165   3.817  1.00  0.00           O  
ATOM    328  H   TYR A  24       3.432   9.472  -0.116  1.00  0.00           H  
ATOM    329  HA  TYR A  24       5.171   7.649  -0.819  1.00  0.00           H  
ATOM    330  HB2 TYR A  24       5.188   9.322   1.044  1.00  0.00           H  
ATOM    331  HB3 TYR A  24       4.243   8.264   2.057  1.00  0.00           H  
ATOM    332  HD1 TYR A  24       7.553   8.376   0.191  1.00  0.00           H  
ATOM    333  HD2 TYR A  24       5.452   7.176   3.746  1.00  0.00           H  
ATOM    334  HE1 TYR A  24       9.691   8.020   1.343  1.00  0.00           H  
ATOM    335  HE2 TYR A  24       7.592   6.785   4.880  1.00  0.00           H  
ATOM    336  HH  TYR A  24       9.823   6.860   4.712  1.00  0.00           H  
ATOM    337  N   ARG A  25       4.069   5.282  -0.922  1.00  0.00           N  
ATOM    338  CA  ARG A  25       3.402   3.958  -0.972  1.00  0.00           C  
ATOM    339  C   ARG A  25       4.399   2.816  -0.688  1.00  0.00           C  
ATOM    340  O   ARG A  25       5.272   2.505  -1.502  1.00  0.00           O  
ATOM    341  CB  ARG A  25       2.649   3.788  -2.318  1.00  0.00           C  
ATOM    342  CG  ARG A  25       1.762   2.515  -2.435  1.00  0.00           C  
ATOM    343  CD  ARG A  25       2.213   1.512  -3.515  1.00  0.00           C  
ATOM    344  NE  ARG A  25       1.912   1.985  -4.891  1.00  0.00           N  
ATOM    345  CZ  ARG A  25       2.781   2.015  -5.918  1.00  0.00           C  
ATOM    346  NH1 ARG A  25       4.080   1.748  -5.811  1.00  0.00           N  
ATOM    347  NH2 ARG A  25       2.309   2.336  -7.107  1.00  0.00           N  
ATOM    348  H   ARG A  25       4.360   5.763  -1.781  1.00  0.00           H  
ATOM    349  HA  ARG A  25       2.616   3.938  -0.201  1.00  0.00           H  
ATOM    350  HB2 ARG A  25       1.989   4.661  -2.476  1.00  0.00           H  
ATOM    351  HB3 ARG A  25       3.375   3.841  -3.154  1.00  0.00           H  
ATOM    352  HG2 ARG A  25       1.741   1.976  -1.468  1.00  0.00           H  
ATOM    353  HG3 ARG A  25       0.706   2.802  -2.601  1.00  0.00           H  
ATOM    354  HD2 ARG A  25       3.281   1.266  -3.363  1.00  0.00           H  
ATOM    355  HD3 ARG A  25       1.670   0.559  -3.362  1.00  0.00           H  
ATOM    356  HE  ARG A  25       0.954   2.232  -5.162  1.00  0.00           H  
ATOM    357 HH11 ARG A  25       4.424   1.510  -4.874  1.00  0.00           H  
ATOM    358 HH12 ARG A  25       4.634   1.816  -6.673  1.00  0.00           H  
ATOM    359 HH21 ARG A  25       1.301   2.531  -7.156  1.00  0.00           H  
ATOM    360 HH22 ARG A  25       2.980   2.355  -7.884  1.00  0.00           H  
ATOM    361  N   LYS A  26       4.174   2.164   0.463  1.00  0.00           N  
ATOM    362  CA  LYS A  26       4.849   0.900   0.837  1.00  0.00           C  
ATOM    363  C   LYS A  26       4.192  -0.277   0.070  1.00  0.00           C  
ATOM    364  O   LYS A  26       2.966  -0.432   0.070  1.00  0.00           O  
ATOM    365  CB  LYS A  26       4.726   0.674   2.372  1.00  0.00           C  
ATOM    366  CG  LYS A  26       5.930   1.013   3.277  1.00  0.00           C  
ATOM    367  CD  LYS A  26       6.117  -0.034   4.395  1.00  0.00           C  
ATOM    368  CE  LYS A  26       7.344   0.179   5.293  1.00  0.00           C  
ATOM    369  NZ  LYS A  26       7.130   1.226   6.308  1.00  0.00           N  
ATOM    370  H   LYS A  26       3.366   2.509   0.992  1.00  0.00           H  
ATOM    371  HA  LYS A  26       5.918   0.982   0.575  1.00  0.00           H  
ATOM    372  HB2 LYS A  26       3.888   1.269   2.751  1.00  0.00           H  
ATOM    373  HB3 LYS A  26       4.407  -0.366   2.573  1.00  0.00           H  
ATOM    374  HG2 LYS A  26       6.858   1.102   2.684  1.00  0.00           H  
ATOM    375  HG3 LYS A  26       5.780   2.013   3.727  1.00  0.00           H  
ATOM    376  HD2 LYS A  26       5.197  -0.124   5.006  1.00  0.00           H  
ATOM    377  HD3 LYS A  26       6.226  -1.021   3.915  1.00  0.00           H  
ATOM    378  HE2 LYS A  26       7.576  -0.766   5.815  1.00  0.00           H  
ATOM    379  HE3 LYS A  26       8.244   0.412   4.693  1.00  0.00           H  
ATOM    380  HZ1 LYS A  26       7.017   2.154   5.886  1.00  0.00           H  
ATOM    381  HZ2 LYS A  26       7.919   1.277   6.961  1.00  0.00           H  
ATOM    382  HZ3 LYS A  26       6.289   1.033   6.864  1.00  0.00           H  
ATOM    383  N   MET A  27       5.032  -1.105  -0.562  1.00  0.00           N  
ATOM    384  CA  MET A  27       4.578  -2.306  -1.298  1.00  0.00           C  
ATOM    385  C   MET A  27       5.625  -3.408  -1.024  1.00  0.00           C  
ATOM    386  O   MET A  27       6.735  -3.339  -1.559  1.00  0.00           O  
ATOM    387  CB  MET A  27       4.390  -1.976  -2.803  1.00  0.00           C  
ATOM    388  CG  MET A  27       3.605  -3.030  -3.597  1.00  0.00           C  
ATOM    389  SD  MET A  27       3.342  -2.420  -5.276  1.00  0.00           S  
ATOM    390  CE  MET A  27       4.786  -3.072  -6.137  1.00  0.00           C  
ATOM    391  H   MET A  27       6.026  -0.871  -0.474  1.00  0.00           H  
ATOM    392  HA  MET A  27       3.604  -2.630  -0.897  1.00  0.00           H  
ATOM    393  HB2 MET A  27       3.846  -1.020  -2.910  1.00  0.00           H  
ATOM    394  HB3 MET A  27       5.369  -1.804  -3.291  1.00  0.00           H  
ATOM    395  HG2 MET A  27       4.130  -4.005  -3.611  1.00  0.00           H  
ATOM    396  HG3 MET A  27       2.619  -3.206  -3.130  1.00  0.00           H  
ATOM    397  HE1 MET A  27       4.963  -2.502  -7.067  1.00  0.00           H  
ATOM    398  HE2 MET A  27       4.631  -4.133  -6.406  1.00  0.00           H  
ATOM    399  HE3 MET A  27       5.696  -3.007  -5.512  1.00  0.00           H  
ATOM    400  N   TRP A  28       5.268  -4.407  -0.185  1.00  0.00           N  
ATOM    401  CA  TRP A  28       6.215  -5.450   0.317  1.00  0.00           C  
ATOM    402  C   TRP A  28       7.077  -6.132  -0.777  1.00  0.00           C  
ATOM    403  O   TRP A  28       8.286  -5.873  -0.820  1.00  0.00           O  
ATOM    404  CB  TRP A  28       5.492  -6.421   1.292  1.00  0.00           C  
ATOM    405  CG  TRP A  28       6.399  -7.337   2.125  1.00  0.00           C  
ATOM    406  CD1 TRP A  28       6.964  -8.547   1.677  1.00  0.00           C  
ATOM    407  CD2 TRP A  28       6.853  -7.173   3.424  1.00  0.00           C  
ATOM    408  NE1 TRP A  28       7.800  -9.126   2.646  1.00  0.00           N  
ATOM    409  CE2 TRP A  28       7.718  -8.255   3.721  1.00  0.00           C  
ATOM    410  CE3 TRP A  28       6.575  -6.191   4.412  1.00  0.00           C  
ATOM    411  CZ2 TRP A  28       8.328  -8.355   4.993  1.00  0.00           C  
ATOM    412  CZ3 TRP A  28       7.183  -6.310   5.665  1.00  0.00           C  
ATOM    413  CH2 TRP A  28       8.045  -7.378   5.950  1.00  0.00           C  
ATOM    414  H   TRP A  28       4.331  -4.307   0.221  1.00  0.00           H  
ATOM    415  HA  TRP A  28       6.927  -4.920   0.960  1.00  0.00           H  
ATOM    416  HB2 TRP A  28       4.905  -5.825   2.010  1.00  0.00           H  
ATOM    417  HB3 TRP A  28       4.745  -7.024   0.739  1.00  0.00           H  
ATOM    418  HD1 TRP A  28       6.783  -8.973   0.700  1.00  0.00           H  
ATOM    419  HE1 TRP A  28       8.279 -10.031   2.605  1.00  0.00           H  
ATOM    420  HE3 TRP A  28       5.896  -5.373   4.221  1.00  0.00           H  
ATOM    421  HZ2 TRP A  28       8.998  -9.173   5.222  1.00  0.00           H  
ATOM    422  HZ3 TRP A  28       6.976  -5.575   6.428  1.00  0.00           H  
ATOM    423  HH2 TRP A  28       8.486  -7.459   6.931  1.00  0.00           H  
ATOM    424  N   CYS A  29       6.458  -6.947  -1.659  1.00  0.00           N  
ATOM    425  CA  CYS A  29       7.149  -7.605  -2.801  1.00  0.00           C  
ATOM    426  C   CYS A  29       8.358  -8.460  -2.313  1.00  0.00           C  
ATOM    427  O   CYS A  29       9.499  -7.992  -2.376  1.00  0.00           O  
ATOM    428  CB  CYS A  29       7.489  -6.578  -3.921  1.00  0.00           C  
ATOM    429  SG  CYS A  29       7.261  -7.288  -5.558  1.00  0.00           S  
ATOM    430  H   CYS A  29       5.458  -7.096  -1.489  1.00  0.00           H  
ATOM    431  HA  CYS A  29       6.403  -8.297  -3.236  1.00  0.00           H  
ATOM    432  HB2 CYS A  29       6.818  -5.703  -3.884  1.00  0.00           H  
ATOM    433  HB3 CYS A  29       8.516  -6.168  -3.833  1.00  0.00           H  
ATOM    434  N   ASP A  30       8.084  -9.658  -1.751  1.00  0.00           N  
ATOM    435  CA  ASP A  30       9.074 -10.461  -0.970  1.00  0.00           C  
ATOM    436  C   ASP A  30      10.489 -10.651  -1.623  1.00  0.00           C  
ATOM    437  O   ASP A  30      11.493 -10.446  -0.935  1.00  0.00           O  
ATOM    438  CB  ASP A  30       8.416 -11.811  -0.532  1.00  0.00           C  
ATOM    439  CG  ASP A  30       8.667 -12.249   0.919  1.00  0.00           C  
ATOM    440  OD1 ASP A  30       9.833 -12.517   1.285  1.00  0.00           O  
ATOM    441  OD2 ASP A  30       7.688 -12.338   1.696  1.00  0.00           O  
ATOM    442  H   ASP A  30       7.087  -9.901  -1.757  1.00  0.00           H  
ATOM    443  HA  ASP A  30       9.239  -9.864  -0.053  1.00  0.00           H  
ATOM    444  HB2 ASP A  30       7.315 -11.788  -0.664  1.00  0.00           H  
ATOM    445  HB3 ASP A  30       8.727 -12.641  -1.195  1.00  0.00           H  
ATOM    446  N   ALA A  31      10.546 -10.958  -2.945  1.00  0.00           N  
ATOM    447  CA  ALA A  31      11.767 -10.789  -3.794  1.00  0.00           C  
ATOM    448  C   ALA A  31      11.465 -10.615  -5.380  1.00  0.00           C  
ATOM    449  O   ALA A  31      11.919  -9.521  -5.738  1.00  0.00           O  
ATOM    450  CB  ALA A  31      12.891 -11.777  -3.368  1.00  0.00           C  
ATOM    451  H   ALA A  31       9.614 -10.985  -3.374  1.00  0.00           H  
ATOM    452  HA  ALA A  31      12.176  -9.803  -3.488  1.00  0.00           H  
ATOM    453  HB1 ALA A  31      12.574 -12.831  -3.468  1.00  0.00           H  
ATOM    454  HB2 ALA A  31      13.231 -11.621  -2.332  1.00  0.00           H  
ATOM    455  HB3 ALA A  31      13.781 -11.635  -4.004  1.00  0.00           H  
ATOM    456  N   PHE A  32      11.922 -11.692  -6.092  1.00  0.00           N  
ATOM    457  CA  PHE A  32      11.285 -12.621  -6.956  1.00  0.00           C  
ATOM    458  C   PHE A  32      10.616 -11.328  -6.277  1.00  0.00           C  
ATOM    459  O   PHE A  32      10.282 -10.600  -7.253  1.00  0.00           O  
ATOM    460  CB  PHE A  32      11.338 -14.072  -6.367  1.00  0.00           C  
ATOM    461  CG  PHE A  32      12.507 -14.907  -6.912  1.00  0.00           C  
ATOM    462  CD1 PHE A  32      13.798 -14.746  -6.390  1.00  0.00           C  
ATOM    463  CD2 PHE A  32      12.297 -15.840  -7.936  1.00  0.00           C  
ATOM    464  CE1 PHE A  32      14.854 -15.501  -6.887  1.00  0.00           C  
ATOM    465  CE2 PHE A  32      13.356 -16.594  -8.429  1.00  0.00           C  
ATOM    466  CZ  PHE A  32      14.638 -16.428  -7.907  1.00  0.00           C  
ATOM    467  H   PHE A  32      12.292 -12.251  -5.304  1.00  0.00           H  
ATOM    468  HA  PHE A  32      11.628 -12.507  -8.002  1.00  0.00           H  
ATOM    469  HB2 PHE A  32      11.348 -14.065  -5.258  1.00  0.00           H  
ATOM    470  HB3 PHE A  32      10.381 -14.578  -6.589  1.00  0.00           H  
ATOM    471  HD1 PHE A  32      13.981 -14.036  -5.594  1.00  0.00           H  
ATOM    472  HD2 PHE A  32      11.306 -15.994  -8.343  1.00  0.00           H  
ATOM    473  HE1 PHE A  32      15.847 -15.367  -6.482  1.00  0.00           H  
ATOM    474  HE2 PHE A  32      13.185 -17.313  -9.220  1.00  0.00           H  
ATOM    475  HZ  PHE A  32      15.461 -17.006  -8.300  1.00  0.00           H  
ATOM    476  N   CYS A  33       9.555 -11.845  -5.619  1.00  0.00           N  
ATOM    477  CA  CYS A  33       8.104 -11.645  -5.901  1.00  0.00           C  
ATOM    478  C   CYS A  33       7.642 -11.890  -7.367  1.00  0.00           C  
ATOM    479  O   CYS A  33       7.691 -10.995  -8.215  1.00  0.00           O  
ATOM    480  CB  CYS A  33       7.526 -10.347  -5.310  1.00  0.00           C  
ATOM    481  SG  CYS A  33       8.426  -8.887  -5.816  1.00  0.00           S  
ATOM    482  H   CYS A  33       9.853 -12.400  -4.802  1.00  0.00           H  
ATOM    483  HA  CYS A  33       7.623 -12.427  -5.284  1.00  0.00           H  
ATOM    484  HB2 CYS A  33       6.470 -10.227  -5.605  1.00  0.00           H  
ATOM    485  HB3 CYS A  33       7.529 -10.415  -4.211  1.00  0.00           H  
ATOM    486  N   SER A  34       7.179 -13.118  -7.638  1.00  0.00           N  
ATOM    487  CA  SER A  34       6.652 -13.527  -8.963  1.00  0.00           C  
ATOM    488  C   SER A  34       5.202 -12.997  -9.178  1.00  0.00           C  
ATOM    489  O   SER A  34       5.008 -12.058  -9.958  1.00  0.00           O  
ATOM    490  CB  SER A  34       6.852 -15.057  -9.113  1.00  0.00           C  
ATOM    491  OG  SER A  34       6.160 -15.820  -8.123  1.00  0.00           O  
ATOM    492  H   SER A  34       7.194 -13.756  -6.838  1.00  0.00           H  
ATOM    493  HA  SER A  34       7.282 -13.060  -9.750  1.00  0.00           H  
ATOM    494  HB2 SER A  34       6.519 -15.390 -10.109  1.00  0.00           H  
ATOM    495  HB3 SER A  34       7.931 -15.279  -9.069  1.00  0.00           H  
ATOM    496  HG  SER A  34       6.168 -16.725  -8.443  1.00  0.00           H  
ATOM    497  N   SER A  35       4.209 -13.543  -8.447  1.00  0.00           N  
ATOM    498  CA  SER A  35       2.865 -12.920  -8.287  1.00  0.00           C  
ATOM    499  C   SER A  35       2.718 -12.582  -6.767  1.00  0.00           C  
ATOM    500  O   SER A  35       2.046 -13.305  -6.020  1.00  0.00           O  
ATOM    501  CB  SER A  35       1.753 -13.869  -8.819  1.00  0.00           C  
ATOM    502  OG  SER A  35       2.004 -14.260 -10.162  1.00  0.00           O  
ATOM    503  H   SER A  35       4.518 -14.325  -7.860  1.00  0.00           H  
ATOM    504  HA  SER A  35       2.793 -11.977  -8.873  1.00  0.00           H  
ATOM    505  HB2 SER A  35       1.676 -14.785  -8.206  1.00  0.00           H  
ATOM    506  HB3 SER A  35       0.752 -13.392  -8.781  1.00  0.00           H  
ATOM    507  HG  SER A  35       1.373 -14.963 -10.345  1.00  0.00           H  
ATOM    508  N   ARG A  36       3.408 -11.517  -6.291  1.00  0.00           N  
ATOM    509  CA  ARG A  36       3.572 -11.257  -4.830  1.00  0.00           C  
ATOM    510  C   ARG A  36       3.736  -9.744  -4.530  1.00  0.00           C  
ATOM    511  O   ARG A  36       4.012  -8.905  -5.391  1.00  0.00           O  
ATOM    512  CB  ARG A  36       4.727 -12.116  -4.216  1.00  0.00           C  
ATOM    513  CG  ARG A  36       4.284 -13.357  -3.409  1.00  0.00           C  
ATOM    514  CD  ARG A  36       4.431 -14.703  -4.144  1.00  0.00           C  
ATOM    515  NE  ARG A  36       3.611 -15.718  -3.437  1.00  0.00           N  
ATOM    516  CZ  ARG A  36       2.646 -16.458  -4.018  1.00  0.00           C  
ATOM    517  NH1 ARG A  36       2.515 -16.618  -5.331  1.00  0.00           N  
ATOM    518  NH2 ARG A  36       1.775 -17.065  -3.227  1.00  0.00           N  
ATOM    519  H   ARG A  36       3.899 -10.969  -7.006  1.00  0.00           H  
ATOM    520  HA  ARG A  36       2.614 -11.538  -4.345  1.00  0.00           H  
ATOM    521  HB2 ARG A  36       5.464 -12.393  -4.989  1.00  0.00           H  
ATOM    522  HB3 ARG A  36       5.326 -11.497  -3.516  1.00  0.00           H  
ATOM    523  HG2 ARG A  36       4.889 -13.406  -2.482  1.00  0.00           H  
ATOM    524  HG3 ARG A  36       3.248 -13.209  -3.040  1.00  0.00           H  
ATOM    525  HD2 ARG A  36       4.149 -14.591  -5.204  1.00  0.00           H  
ATOM    526  HD3 ARG A  36       5.493 -15.011  -4.141  1.00  0.00           H  
ATOM    527  HE  ARG A  36       3.578 -15.735  -2.413  1.00  0.00           H  
ATOM    528 HH11 ARG A  36       3.227 -16.164  -5.915  1.00  0.00           H  
ATOM    529 HH12 ARG A  36       1.769 -17.244  -5.655  1.00  0.00           H  
ATOM    530 HH21 ARG A  36       1.893 -16.906  -2.221  1.00  0.00           H  
ATOM    531 HH22 ARG A  36       0.982 -17.527  -3.690  1.00  0.00           H  
ATOM    532  N   GLY A  37       3.464  -9.437  -3.262  1.00  0.00           N  
ATOM    533  CA  GLY A  37       2.942  -8.134  -2.842  1.00  0.00           C  
ATOM    534  C   GLY A  37       1.666  -8.448  -2.041  1.00  0.00           C  
ATOM    535  O   GLY A  37       1.732  -9.020  -0.947  1.00  0.00           O  
ATOM    536  H   GLY A  37       3.296 -10.259  -2.679  1.00  0.00           H  
ATOM    537  HA2 GLY A  37       3.680  -7.619  -2.199  1.00  0.00           H  
ATOM    538  HA3 GLY A  37       2.746  -7.449  -3.687  1.00  0.00           H  
ATOM    539  N   LYS A  38       0.503  -8.039  -2.581  1.00  0.00           N  
ATOM    540  CA  LYS A  38      -0.743  -7.777  -1.795  1.00  0.00           C  
ATOM    541  C   LYS A  38      -0.519  -7.070  -0.413  1.00  0.00           C  
ATOM    542  O   LYS A  38      -0.812  -7.607   0.664  1.00  0.00           O  
ATOM    543  CB  LYS A  38      -1.779  -8.946  -1.789  1.00  0.00           C  
ATOM    544  CG  LYS A  38      -1.408 -10.270  -1.075  1.00  0.00           C  
ATOM    545  CD  LYS A  38      -0.971 -11.446  -1.995  1.00  0.00           C  
ATOM    546  CE  LYS A  38      -1.920 -12.650  -2.101  1.00  0.00           C  
ATOM    547  NZ  LYS A  38      -1.972 -13.439  -0.861  1.00  0.00           N  
ATOM    548  H   LYS A  38       0.605  -7.633  -3.515  1.00  0.00           H  
ATOM    549  HA  LYS A  38      -1.278  -7.023  -2.401  1.00  0.00           H  
ATOM    550  HB2 LYS A  38      -2.708  -8.574  -1.319  1.00  0.00           H  
ATOM    551  HB3 LYS A  38      -2.097  -9.161  -2.817  1.00  0.00           H  
ATOM    552  HG2 LYS A  38      -0.610 -10.087  -0.347  1.00  0.00           H  
ATOM    553  HG3 LYS A  38      -2.243 -10.572  -0.416  1.00  0.00           H  
ATOM    554  HD2 LYS A  38      -0.795 -11.083  -3.016  1.00  0.00           H  
ATOM    555  HD3 LYS A  38       0.009 -11.821  -1.672  1.00  0.00           H  
ATOM    556  HE2 LYS A  38      -2.937 -12.310  -2.249  1.00  0.00           H  
ATOM    557  HE3 LYS A  38      -1.673 -13.286  -2.984  1.00  0.00           H  
ATOM    558  HZ1 LYS A  38      -1.061 -13.864  -0.666  1.00  0.00           H  
ATOM    559  HZ2 LYS A  38      -2.699 -14.167  -0.859  1.00  0.00           H  
ATOM    560  HZ3 LYS A  38      -2.153 -12.866  -0.032  1.00  0.00           H  
ATOM    561  N   VAL A  39       0.113  -5.884  -0.516  1.00  0.00           N  
ATOM    562  CA  VAL A  39       0.531  -5.052   0.630  1.00  0.00           C  
ATOM    563  C   VAL A  39       0.499  -3.660  -0.022  1.00  0.00           C  
ATOM    564  O   VAL A  39       1.374  -3.309  -0.820  1.00  0.00           O  
ATOM    565  CB  VAL A  39       1.937  -5.405   1.257  1.00  0.00           C  
ATOM    566  CG1 VAL A  39       2.404  -4.381   2.332  1.00  0.00           C  
ATOM    567  CG2 VAL A  39       2.002  -6.825   1.863  1.00  0.00           C  
ATOM    568  H   VAL A  39       0.277  -5.587  -1.485  1.00  0.00           H  
ATOM    569  HA  VAL A  39      -0.238  -5.132   1.424  1.00  0.00           H  
ATOM    570  HB  VAL A  39       2.689  -5.381   0.450  1.00  0.00           H  
ATOM    571 HG11 VAL A  39       1.611  -4.136   3.057  1.00  0.00           H  
ATOM    572 HG12 VAL A  39       3.265  -4.733   2.931  1.00  0.00           H  
ATOM    573 HG13 VAL A  39       2.725  -3.428   1.871  1.00  0.00           H  
ATOM    574 HG21 VAL A  39       2.994  -7.066   2.275  1.00  0.00           H  
ATOM    575 HG22 VAL A  39       1.793  -7.599   1.112  1.00  0.00           H  
ATOM    576 HG23 VAL A  39       1.282  -6.965   2.683  1.00  0.00           H  
ATOM    577  N   VAL A  40      -0.470  -2.838   0.379  1.00  0.00           N  
ATOM    578  CA  VAL A  40      -0.291  -1.366   0.366  1.00  0.00           C  
ATOM    579  C   VAL A  40       0.122  -0.918   1.813  1.00  0.00           C  
ATOM    580  O   VAL A  40       0.443  -1.725   2.695  1.00  0.00           O  
ATOM    581  CB  VAL A  40      -1.500  -0.614  -0.290  1.00  0.00           C  
ATOM    582  CG1 VAL A  40      -1.782  -1.013  -1.756  1.00  0.00           C  
ATOM    583  CG2 VAL A  40      -2.784  -0.690   0.544  1.00  0.00           C  
ATOM    584  H   VAL A  40      -1.177  -3.275   0.976  1.00  0.00           H  
ATOM    585  HA  VAL A  40       0.571  -1.094  -0.269  1.00  0.00           H  
ATOM    586  HB  VAL A  40      -1.229   0.461  -0.342  1.00  0.00           H  
ATOM    587 HG11 VAL A  40      -2.067  -2.078  -1.849  1.00  0.00           H  
ATOM    588 HG12 VAL A  40      -0.894  -0.858  -2.395  1.00  0.00           H  
ATOM    589 HG13 VAL A  40      -2.606  -0.416  -2.198  1.00  0.00           H  
ATOM    590 HG21 VAL A  40      -3.560  -0.075   0.068  1.00  0.00           H  
ATOM    591 HG22 VAL A  40      -2.652  -0.308   1.572  1.00  0.00           H  
ATOM    592 HG23 VAL A  40      -3.165  -1.721   0.632  1.00  0.00           H  
ATOM    593  N   GLU A  41       0.135   0.403   2.041  1.00  0.00           N  
ATOM    594  CA  GLU A  41       0.299   0.988   3.395  1.00  0.00           C  
ATOM    595  C   GLU A  41      -0.068   2.485   3.230  1.00  0.00           C  
ATOM    596  O   GLU A  41      -1.227   2.835   3.458  1.00  0.00           O  
ATOM    597  CB  GLU A  41       1.683   0.666   4.057  1.00  0.00           C  
ATOM    598  CG  GLU A  41       1.668   0.074   5.476  1.00  0.00           C  
ATOM    599  CD  GLU A  41       1.820   1.138   6.573  1.00  0.00           C  
ATOM    600  OE1 GLU A  41       2.920   1.729   6.677  1.00  0.00           O  
ATOM    601  OE2 GLU A  41       0.852   1.395   7.322  1.00  0.00           O  
ATOM    602  H   GLU A  41      -0.283   0.948   1.277  1.00  0.00           H  
ATOM    603  HA  GLU A  41      -0.499   0.541   4.025  1.00  0.00           H  
ATOM    604  HB2 GLU A  41       2.231  -0.059   3.432  1.00  0.00           H  
ATOM    605  HB3 GLU A  41       2.326   1.561   4.043  1.00  0.00           H  
ATOM    606  HG2 GLU A  41       0.758  -0.532   5.633  1.00  0.00           H  
ATOM    607  HG3 GLU A  41       2.514  -0.634   5.573  1.00  0.00           H  
ATOM    608  N   LEU A  42       0.894   3.324   2.790  1.00  0.00           N  
ATOM    609  CA  LEU A  42       0.763   4.790   2.603  1.00  0.00           C  
ATOM    610  C   LEU A  42       0.143   5.643   3.750  1.00  0.00           C  
ATOM    611  O   LEU A  42      -0.980   5.411   4.209  1.00  0.00           O  
ATOM    612  CB  LEU A  42       0.257   5.251   1.207  1.00  0.00           C  
ATOM    613  CG  LEU A  42      -1.214   4.942   0.805  1.00  0.00           C  
ATOM    614  CD1 LEU A  42      -1.894   6.199   0.237  1.00  0.00           C  
ATOM    615  CD2 LEU A  42      -1.283   3.762  -0.194  1.00  0.00           C  
ATOM    616  H   LEU A  42       1.795   2.861   2.632  1.00  0.00           H  
ATOM    617  HA  LEU A  42       1.832   5.068   2.571  1.00  0.00           H  
ATOM    618  HB2 LEU A  42       0.455   6.340   1.145  1.00  0.00           H  
ATOM    619  HB3 LEU A  42       0.936   4.879   0.427  1.00  0.00           H  
ATOM    620  HG  LEU A  42      -1.785   4.660   1.708  1.00  0.00           H  
ATOM    621 HD11 LEU A  42      -1.890   7.032   0.965  1.00  0.00           H  
ATOM    622 HD12 LEU A  42      -1.383   6.546  -0.673  1.00  0.00           H  
ATOM    623 HD13 LEU A  42      -2.948   6.028  -0.043  1.00  0.00           H  
ATOM    624 HD21 LEU A  42      -2.310   3.388  -0.318  1.00  0.00           H  
ATOM    625 HD22 LEU A  42      -0.911   4.034  -1.201  1.00  0.00           H  
ATOM    626 HD23 LEU A  42      -0.684   2.899   0.154  1.00  0.00           H  
ATOM    627  N   GLY A  43       0.866   6.710   4.108  1.00  0.00           N  
ATOM    628  CA  GLY A  43       0.276   7.868   4.816  1.00  0.00           C  
ATOM    629  C   GLY A  43       0.980   9.212   4.516  1.00  0.00           C  
ATOM    630  O   GLY A  43       1.072  10.037   5.428  1.00  0.00           O  
ATOM    631  H   GLY A  43       1.729   6.820   3.562  1.00  0.00           H  
ATOM    632  HA2 GLY A  43      -0.798   7.985   4.569  1.00  0.00           H  
ATOM    633  HA3 GLY A  43       0.310   7.664   5.904  1.00  0.00           H  
ATOM    634  N   CYS A  44       1.441   9.445   3.263  1.00  0.00           N  
ATOM    635  CA  CYS A  44       2.139  10.680   2.825  1.00  0.00           C  
ATOM    636  C   CYS A  44       3.502  10.961   3.532  1.00  0.00           C  
ATOM    637  O   CYS A  44       3.677  10.724   4.732  1.00  0.00           O  
ATOM    638  CB  CYS A  44       1.202  11.913   2.783  1.00  0.00           C  
ATOM    639  SG  CYS A  44       1.615  12.945   1.359  1.00  0.00           S  
ATOM    640  H   CYS A  44       1.262   8.684   2.597  1.00  0.00           H  
ATOM    641  HA  CYS A  44       2.367  10.459   1.766  1.00  0.00           H  
ATOM    642  HB2 CYS A  44       0.140  11.621   2.681  1.00  0.00           H  
ATOM    643  HB3 CYS A  44       1.269  12.508   3.712  1.00  0.00           H  
ATOM    644  N   ALA A  45       4.455  11.507   2.764  1.00  0.00           N  
ATOM    645  CA  ALA A  45       5.701  12.103   3.309  1.00  0.00           C  
ATOM    646  C   ALA A  45       5.884  13.540   2.736  1.00  0.00           C  
ATOM    647  O   ALA A  45       5.060  14.068   1.975  1.00  0.00           O  
ATOM    648  CB  ALA A  45       6.878  11.146   3.005  1.00  0.00           C  
ATOM    649  H   ALA A  45       4.177  11.669   1.790  1.00  0.00           H  
ATOM    650  HA  ALA A  45       5.640  12.201   4.412  1.00  0.00           H  
ATOM    651  HB1 ALA A  45       7.007  10.963   1.921  1.00  0.00           H  
ATOM    652  HB2 ALA A  45       6.736  10.167   3.497  1.00  0.00           H  
ATOM    653  HB3 ALA A  45       7.842  11.533   3.384  1.00  0.00           H  
ATOM    654  N   ALA A  46       6.991  14.181   3.137  1.00  0.00           N  
ATOM    655  CA  ALA A  46       7.431  15.472   2.548  1.00  0.00           C  
ATOM    656  C   ALA A  46       8.471  15.388   1.385  1.00  0.00           C  
ATOM    657  O   ALA A  46       8.837  16.436   0.846  1.00  0.00           O  
ATOM    658  CB  ALA A  46       7.979  16.314   3.719  1.00  0.00           C  
ATOM    659  H   ALA A  46       7.636  13.607   3.694  1.00  0.00           H  
ATOM    660  HA  ALA A  46       6.556  16.015   2.149  1.00  0.00           H  
ATOM    661  HB1 ALA A  46       8.872  15.854   4.184  1.00  0.00           H  
ATOM    662  HB2 ALA A  46       7.229  16.452   4.521  1.00  0.00           H  
ATOM    663  HB3 ALA A  46       8.275  17.329   3.398  1.00  0.00           H  
ATOM    664  N   THR A  47       9.001  14.196   1.025  1.00  0.00           N  
ATOM    665  CA  THR A  47      10.345  14.072   0.392  1.00  0.00           C  
ATOM    666  C   THR A  47      10.518  12.676  -0.303  1.00  0.00           C  
ATOM    667  O   THR A  47       9.844  11.697   0.039  1.00  0.00           O  
ATOM    668  CB  THR A  47      11.450  14.444   1.445  1.00  0.00           C  
ATOM    669  OG1 THR A  47      12.713  14.548   0.808  1.00  0.00           O  
ATOM    670  CG2 THR A  47      11.556  13.556   2.707  1.00  0.00           C  
ATOM    671  H   THR A  47       8.560  13.389   1.481  1.00  0.00           H  
ATOM    672  HA  THR A  47      10.397  14.831  -0.416  1.00  0.00           H  
ATOM    673  HB  THR A  47      11.236  15.462   1.818  1.00  0.00           H  
ATOM    674  HG1 THR A  47      13.339  14.790   1.493  1.00  0.00           H  
ATOM    675 HG21 THR A  47      12.394  13.873   3.353  1.00  0.00           H  
ATOM    676 HG22 THR A  47      11.708  12.490   2.476  1.00  0.00           H  
ATOM    677 HG23 THR A  47      10.637  13.611   3.320  1.00  0.00           H  
ATOM    678  N   CYS A  48      11.455  12.598  -1.277  1.00  0.00           N  
ATOM    679  CA  CYS A  48      11.747  11.350  -2.047  1.00  0.00           C  
ATOM    680  C   CYS A  48      13.097  10.562  -1.775  1.00  0.00           C  
ATOM    681  O   CYS A  48      13.435   9.757  -2.652  1.00  0.00           O  
ATOM    682  CB  CYS A  48      11.603  11.737  -3.544  1.00  0.00           C  
ATOM    683  SG  CYS A  48      11.248  10.306  -4.599  1.00  0.00           S  
ATOM    684  H   CYS A  48      11.993  13.458  -1.426  1.00  0.00           H  
ATOM    685  HA  CYS A  48      10.939  10.620  -1.857  1.00  0.00           H  
ATOM    686  HB2 CYS A  48      10.776  12.454  -3.715  1.00  0.00           H  
ATOM    687  HB3 CYS A  48      12.514  12.245  -3.914  1.00  0.00           H  
ATOM    688  N   PRO A  49      13.884  10.628  -0.644  1.00  0.00           N  
ATOM    689  CA  PRO A  49      15.059   9.738  -0.392  1.00  0.00           C  
ATOM    690  C   PRO A  49      14.779   8.235  -0.049  1.00  0.00           C  
ATOM    691  O   PRO A  49      15.733   7.485   0.176  1.00  0.00           O  
ATOM    692  CB  PRO A  49      15.775  10.472   0.760  1.00  0.00           C  
ATOM    693  CG  PRO A  49      14.647  11.094   1.573  1.00  0.00           C  
ATOM    694  CD  PRO A  49      13.642  11.504   0.504  1.00  0.00           C  
ATOM    695  HA  PRO A  49      15.722   9.754  -1.277  1.00  0.00           H  
ATOM    696  HB2 PRO A  49      16.425   9.823   1.375  1.00  0.00           H  
ATOM    697  HB3 PRO A  49      16.428  11.270   0.357  1.00  0.00           H  
ATOM    698  HG2 PRO A  49      14.202  10.343   2.253  1.00  0.00           H  
ATOM    699  HG3 PRO A  49      14.976  11.946   2.195  1.00  0.00           H  
ATOM    700  HD2 PRO A  49      12.614  11.391   0.881  1.00  0.00           H  
ATOM    701  HD3 PRO A  49      13.819  12.547   0.197  1.00  0.00           H  
ATOM    702  N   SER A  50      13.506   7.789  -0.076  1.00  0.00           N  
ATOM    703  CA  SER A  50      13.146   6.362  -0.185  1.00  0.00           C  
ATOM    704  C   SER A  50      13.233   5.907  -1.676  1.00  0.00           C  
ATOM    705  O   SER A  50      12.543   6.415  -2.567  1.00  0.00           O  
ATOM    706  CB  SER A  50      11.746   6.182   0.415  1.00  0.00           C  
ATOM    707  OG  SER A  50      11.448   4.803   0.455  1.00  0.00           O  
ATOM    708  H   SER A  50      12.805   8.526  -0.213  1.00  0.00           H  
ATOM    709  HA  SER A  50      13.836   5.774   0.457  1.00  0.00           H  
ATOM    710  HB2 SER A  50      11.702   6.576   1.449  1.00  0.00           H  
ATOM    711  HB3 SER A  50      10.971   6.719  -0.165  1.00  0.00           H  
ATOM    712  HG  SER A  50      12.172   4.393   0.932  1.00  0.00           H  
ATOM    713  N   LYS A  51      14.183   4.991  -1.888  1.00  0.00           N  
ATOM    714  CA  LYS A  51      14.842   4.691  -3.202  1.00  0.00           C  
ATOM    715  C   LYS A  51      15.955   3.566  -3.060  1.00  0.00           C  
ATOM    716  O   LYS A  51      16.822   3.436  -3.928  1.00  0.00           O  
ATOM    717  CB  LYS A  51      15.471   5.972  -3.856  1.00  0.00           C  
ATOM    718  CG  LYS A  51      16.443   6.772  -2.951  1.00  0.00           C  
ATOM    719  CD  LYS A  51      17.681   7.401  -3.611  1.00  0.00           C  
ATOM    720  CE  LYS A  51      18.495   8.235  -2.589  1.00  0.00           C  
ATOM    721  NZ  LYS A  51      19.010   9.482  -3.179  1.00  0.00           N  
ATOM    722  H   LYS A  51      14.587   4.629  -1.017  1.00  0.00           H  
ATOM    723  HA  LYS A  51      14.070   4.301  -3.888  1.00  0.00           H  
ATOM    724  HB2 LYS A  51      15.972   5.701  -4.803  1.00  0.00           H  
ATOM    725  HB3 LYS A  51      14.662   6.653  -4.186  1.00  0.00           H  
ATOM    726  HG2 LYS A  51      15.850   7.579  -2.492  1.00  0.00           H  
ATOM    727  HG3 LYS A  51      16.785   6.148  -2.101  1.00  0.00           H  
ATOM    728  HD2 LYS A  51      18.323   6.604  -4.034  1.00  0.00           H  
ATOM    729  HD3 LYS A  51      17.354   8.010  -4.473  1.00  0.00           H  
ATOM    730  HE2 LYS A  51      17.883   8.511  -1.711  1.00  0.00           H  
ATOM    731  HE3 LYS A  51      19.345   7.647  -2.191  1.00  0.00           H  
ATOM    732  HZ1 LYS A  51      19.493  10.057  -2.482  1.00  0.00           H  
ATOM    733  HZ2 LYS A  51      18.240  10.039  -3.566  1.00  0.00           H  
ATOM    734  HZ3 LYS A  51      19.666   9.297  -3.947  1.00  0.00           H  
ATOM    735  N   LYS A  52      15.978   2.779  -1.963  1.00  0.00           N  
ATOM    736  CA  LYS A  52      17.220   2.170  -1.389  1.00  0.00           C  
ATOM    737  C   LYS A  52      17.169   0.597  -1.620  1.00  0.00           C  
ATOM    738  O   LYS A  52      16.342   0.159  -2.434  1.00  0.00           O  
ATOM    739  CB  LYS A  52      17.391   2.713   0.081  1.00  0.00           C  
ATOM    740  CG  LYS A  52      17.161   4.234   0.329  1.00  0.00           C  
ATOM    741  CD  LYS A  52      17.117   4.709   1.806  1.00  0.00           C  
ATOM    742  CE  LYS A  52      18.416   5.186   2.535  1.00  0.00           C  
ATOM    743  NZ  LYS A  52      19.395   5.910   1.706  1.00  0.00           N  
ATOM    744  H   LYS A  52      15.164   2.930  -1.357  1.00  0.00           H  
ATOM    745  HA  LYS A  52      18.099   2.535  -1.952  1.00  0.00           H  
ATOM    746  HB2 LYS A  52      16.736   2.139   0.751  1.00  0.00           H  
ATOM    747  HB3 LYS A  52      18.415   2.506   0.425  1.00  0.00           H  
ATOM    748  HG2 LYS A  52      17.881   4.832  -0.269  1.00  0.00           H  
ATOM    749  HG3 LYS A  52      16.177   4.506  -0.091  1.00  0.00           H  
ATOM    750  HD2 LYS A  52      16.403   5.557   1.831  1.00  0.00           H  
ATOM    751  HD3 LYS A  52      16.599   3.937   2.416  1.00  0.00           H  
ATOM    752  HE2 LYS A  52      18.126   5.854   3.356  1.00  0.00           H  
ATOM    753  HE3 LYS A  52      18.929   4.330   3.011  1.00  0.00           H  
ATOM    754  HZ1 LYS A  52      20.184   6.277   2.259  1.00  0.00           H  
ATOM    755  HZ2 LYS A  52      18.983   6.715   1.216  1.00  0.00           H  
ATOM    756  HZ3 LYS A  52      19.793   5.284   0.997  1.00  0.00           H  
ATOM    757  N   PRO A  53      18.013  -0.329  -1.054  1.00  0.00           N  
ATOM    758  CA  PRO A  53      18.096  -1.746  -1.531  1.00  0.00           C  
ATOM    759  C   PRO A  53      16.865  -2.633  -1.163  1.00  0.00           C  
ATOM    760  O   PRO A  53      16.067  -2.965  -2.046  1.00  0.00           O  
ATOM    761  CB  PRO A  53      19.463  -2.222  -0.997  1.00  0.00           C  
ATOM    762  CG  PRO A  53      19.753  -1.353   0.227  1.00  0.00           C  
ATOM    763  CD  PRO A  53      19.065  -0.017  -0.067  1.00  0.00           C  
ATOM    764  HA  PRO A  53      18.168  -1.740  -2.634  1.00  0.00           H  
ATOM    765  HB2 PRO A  53      19.480  -3.302  -0.749  1.00  0.00           H  
ATOM    766  HB3 PRO A  53      20.247  -2.056  -1.758  1.00  0.00           H  
ATOM    767  HG2 PRO A  53      19.313  -1.823   1.129  1.00  0.00           H  
ATOM    768  HG3 PRO A  53      20.834  -1.237   0.426  1.00  0.00           H  
ATOM    769  HD2 PRO A  53      18.638   0.382   0.867  1.00  0.00           H  
ATOM    770  HD3 PRO A  53      19.778   0.723  -0.479  1.00  0.00           H  
ATOM    771  N   TYR A  54      16.706  -2.968   0.126  1.00  0.00           N  
ATOM    772  CA  TYR A  54      15.524  -3.700   0.671  1.00  0.00           C  
ATOM    773  C   TYR A  54      14.546  -2.634   1.236  1.00  0.00           C  
ATOM    774  O   TYR A  54      14.531  -2.342   2.436  1.00  0.00           O  
ATOM    775  CB  TYR A  54      15.899  -4.826   1.702  1.00  0.00           C  
ATOM    776  CG  TYR A  54      17.244  -4.694   2.455  1.00  0.00           C  
ATOM    777  CD1 TYR A  54      17.409  -3.765   3.489  1.00  0.00           C  
ATOM    778  CD2 TYR A  54      18.369  -5.321   1.908  1.00  0.00           C  
ATOM    779  CE1 TYR A  54      18.690  -3.433   3.930  1.00  0.00           C  
ATOM    780  CE2 TYR A  54      19.644  -4.989   2.350  1.00  0.00           C  
ATOM    781  CZ  TYR A  54      19.807  -4.034   3.351  1.00  0.00           C  
ATOM    782  OH  TYR A  54      21.069  -3.666   3.741  1.00  0.00           O  
ATOM    783  H   TYR A  54      17.459  -2.644   0.744  1.00  0.00           H  
ATOM    784  HA  TYR A  54      15.002  -4.228  -0.152  1.00  0.00           H  
ATOM    785  HB2 TYR A  54      15.076  -4.968   2.432  1.00  0.00           H  
ATOM    786  HB3 TYR A  54      15.893  -5.790   1.155  1.00  0.00           H  
ATOM    787  HD1 TYR A  54      16.557  -3.248   3.910  1.00  0.00           H  
ATOM    788  HD2 TYR A  54      18.266  -6.008   1.080  1.00  0.00           H  
ATOM    789  HE1 TYR A  54      18.811  -2.679   4.694  1.00  0.00           H  
ATOM    790  HE2 TYR A  54      20.504  -5.439   1.879  1.00  0.00           H  
ATOM    791  HH  TYR A  54      21.713  -4.165   3.232  1.00  0.00           H  
ATOM    792  N   GLU A  55      13.737  -2.057   0.328  1.00  0.00           N  
ATOM    793  CA  GLU A  55      12.643  -1.122   0.691  1.00  0.00           C  
ATOM    794  C   GLU A  55      11.307  -1.824   0.297  1.00  0.00           C  
ATOM    795  O   GLU A  55      11.087  -2.997   0.621  1.00  0.00           O  
ATOM    796  CB  GLU A  55      12.949   0.305   0.125  1.00  0.00           C  
ATOM    797  CG  GLU A  55      14.094   1.076   0.822  1.00  0.00           C  
ATOM    798  CD  GLU A  55      13.669   1.992   1.976  1.00  0.00           C  
ATOM    799  OE1 GLU A  55      13.416   1.487   3.093  1.00  0.00           O  
ATOM    800  OE2 GLU A  55      13.600   3.226   1.771  1.00  0.00           O  
ATOM    801  H   GLU A  55      13.859  -2.390  -0.634  1.00  0.00           H  
ATOM    802  HA  GLU A  55      12.571  -1.006   1.790  1.00  0.00           H  
ATOM    803  HB2 GLU A  55      13.169   0.233  -0.958  1.00  0.00           H  
ATOM    804  HB3 GLU A  55      12.040   0.937   0.170  1.00  0.00           H  
ATOM    805  HG2 GLU A  55      14.883   0.384   1.171  1.00  0.00           H  
ATOM    806  HG3 GLU A  55      14.590   1.702   0.063  1.00  0.00           H  
ATOM    807  N   GLU A  56      10.358  -1.074  -0.276  1.00  0.00           N  
ATOM    808  CA  GLU A  56       8.918  -1.123   0.101  1.00  0.00           C  
ATOM    809  C   GLU A  56       8.368   0.253  -0.365  1.00  0.00           C  
ATOM    810  O   GLU A  56       7.722   0.346  -1.414  1.00  0.00           O  
ATOM    811  CB  GLU A  56       8.608  -1.420   1.615  1.00  0.00           C  
ATOM    812  CG  GLU A  56       8.238  -2.880   1.912  1.00  0.00           C  
ATOM    813  CD  GLU A  56       8.526  -3.347   3.339  1.00  0.00           C  
ATOM    814  OE1 GLU A  56       7.700  -3.090   4.241  1.00  0.00           O  
ATOM    815  OE2 GLU A  56       9.575  -3.989   3.566  1.00  0.00           O  
ATOM    816  H   GLU A  56      10.732  -0.192  -0.645  1.00  0.00           H  
ATOM    817  HA  GLU A  56       8.433  -1.892  -0.526  1.00  0.00           H  
ATOM    818  HB2 GLU A  56       9.455  -1.084   2.245  1.00  0.00           H  
ATOM    819  HB3 GLU A  56       7.760  -0.806   1.965  1.00  0.00           H  
ATOM    820  HG2 GLU A  56       7.159  -2.992   1.709  1.00  0.00           H  
ATOM    821  HG3 GLU A  56       8.748  -3.568   1.212  1.00  0.00           H  
ATOM    822  N   VAL A  57       8.681   1.321   0.400  1.00  0.00           N  
ATOM    823  CA  VAL A  57       8.458   2.730  -0.001  1.00  0.00           C  
ATOM    824  C   VAL A  57       9.398   3.114  -1.182  1.00  0.00           C  
ATOM    825  O   VAL A  57      10.581   2.759  -1.227  1.00  0.00           O  
ATOM    826  CB  VAL A  57       8.556   3.717   1.225  1.00  0.00           C  
ATOM    827  CG1 VAL A  57       7.184   4.004   1.884  1.00  0.00           C  
ATOM    828  CG2 VAL A  57       9.587   3.365   2.332  1.00  0.00           C  
ATOM    829  H   VAL A  57       9.248   1.089   1.221  1.00  0.00           H  
ATOM    830  HA  VAL A  57       7.425   2.780  -0.395  1.00  0.00           H  
ATOM    831  HB  VAL A  57       8.875   4.693   0.816  1.00  0.00           H  
ATOM    832 HG11 VAL A  57       7.166   3.889   2.985  1.00  0.00           H  
ATOM    833 HG12 VAL A  57       6.843   5.027   1.673  1.00  0.00           H  
ATOM    834 HG13 VAL A  57       6.379   3.364   1.502  1.00  0.00           H  
ATOM    835 HG21 VAL A  57       9.809   4.238   2.979  1.00  0.00           H  
ATOM    836 HG22 VAL A  57      10.541   2.995   1.916  1.00  0.00           H  
ATOM    837 HG23 VAL A  57       9.207   2.545   2.975  1.00  0.00           H  
ATOM    838  N   THR A  58       8.802   3.810  -2.157  1.00  0.00           N  
ATOM    839  CA  THR A  58       9.505   4.313  -3.376  1.00  0.00           C  
ATOM    840  C   THR A  58       9.228   5.827  -3.672  1.00  0.00           C  
ATOM    841  O   THR A  58       9.645   6.300  -4.734  1.00  0.00           O  
ATOM    842  CB  THR A  58       9.140   3.409  -4.605  1.00  0.00           C  
ATOM    843  OG1 THR A  58       7.733   3.403  -4.846  1.00  0.00           O  
ATOM    844  CG2 THR A  58       9.620   1.945  -4.519  1.00  0.00           C  
ATOM    845  H   THR A  58       7.813   4.026  -1.988  1.00  0.00           H  
ATOM    846  HA  THR A  58      10.603   4.250  -3.242  1.00  0.00           H  
ATOM    847  HB  THR A  58       9.623   3.825  -5.509  1.00  0.00           H  
ATOM    848  HG1 THR A  58       7.331   2.892  -4.140  1.00  0.00           H  
ATOM    849 HG21 THR A  58       9.389   1.388  -5.444  1.00  0.00           H  
ATOM    850 HG22 THR A  58       9.152   1.392  -3.683  1.00  0.00           H  
ATOM    851 HG23 THR A  58      10.713   1.885  -4.370  1.00  0.00           H  
ATOM    852  N   CYS A  59       8.507   6.588  -2.803  1.00  0.00           N  
ATOM    853  CA  CYS A  59       7.749   7.809  -3.200  1.00  0.00           C  
ATOM    854  C   CYS A  59       6.678   7.555  -4.324  1.00  0.00           C  
ATOM    855  O   CYS A  59       6.801   6.629  -5.137  1.00  0.00           O  
ATOM    856  CB  CYS A  59       8.614   9.091  -3.356  1.00  0.00           C  
ATOM    857  SG  CYS A  59      10.391   8.804  -3.570  1.00  0.00           S  
ATOM    858  H   CYS A  59       8.333   6.125  -1.901  1.00  0.00           H  
ATOM    859  HA  CYS A  59       7.133   8.017  -2.299  1.00  0.00           H  
ATOM    860  HB2 CYS A  59       8.243   9.719  -4.182  1.00  0.00           H  
ATOM    861  HB3 CYS A  59       8.502   9.713  -2.448  1.00  0.00           H  
ATOM    862  N   CYS A  60       5.584   8.345  -4.332  1.00  0.00           N  
ATOM    863  CA  CYS A  60       4.402   8.056  -5.195  1.00  0.00           C  
ATOM    864  C   CYS A  60       3.766   9.389  -5.675  1.00  0.00           C  
ATOM    865  O   CYS A  60       2.722   9.831  -5.186  1.00  0.00           O  
ATOM    866  CB  CYS A  60       3.434   7.108  -4.437  1.00  0.00           C  
ATOM    867  SG  CYS A  60       3.180   5.524  -5.269  1.00  0.00           S  
ATOM    868  H   CYS A  60       5.588   9.107  -3.644  1.00  0.00           H  
ATOM    869  HA  CYS A  60       4.715   7.508  -6.103  1.00  0.00           H  
ATOM    870  HB2 CYS A  60       3.780   6.885  -3.410  1.00  0.00           H  
ATOM    871  HB3 CYS A  60       2.433   7.556  -4.303  1.00  0.00           H  
ATOM    872  N   SER A  61       4.416  10.034  -6.660  1.00  0.00           N  
ATOM    873  CA  SER A  61       4.035  11.393  -7.129  1.00  0.00           C  
ATOM    874  C   SER A  61       2.986  11.373  -8.288  1.00  0.00           C  
ATOM    875  O   SER A  61       2.431  10.326  -8.635  1.00  0.00           O  
ATOM    876  CB  SER A  61       5.364  12.121  -7.473  1.00  0.00           C  
ATOM    877  OG  SER A  61       6.010  11.554  -8.611  1.00  0.00           O  
ATOM    878  H   SER A  61       5.271   9.570  -6.988  1.00  0.00           H  
ATOM    879  HA  SER A  61       3.579  11.948  -6.284  1.00  0.00           H  
ATOM    880  HB2 SER A  61       5.167  13.192  -7.670  1.00  0.00           H  
ATOM    881  HB3 SER A  61       6.060  12.107  -6.612  1.00  0.00           H  
ATOM    882  HG  SER A  61       6.140  12.276  -9.230  1.00  0.00           H  
ATOM    883  N   THR A  62       2.735  12.558  -8.882  1.00  0.00           N  
ATOM    884  CA  THR A  62       2.066  12.728 -10.207  1.00  0.00           C  
ATOM    885  C   THR A  62       0.516  12.759 -10.146  1.00  0.00           C  
ATOM    886  O   THR A  62      -0.078  13.782 -10.498  1.00  0.00           O  
ATOM    887  CB  THR A  62       2.621  11.934 -11.435  1.00  0.00           C  
ATOM    888  OG1 THR A  62       2.293  10.552 -11.359  1.00  0.00           O  
ATOM    889  CG2 THR A  62       4.136  12.063 -11.649  1.00  0.00           C  
ATOM    890  H   THR A  62       3.243  13.340  -8.454  1.00  0.00           H  
ATOM    891  HA  THR A  62       2.327  13.777 -10.451  1.00  0.00           H  
ATOM    892  HB  THR A  62       2.131  12.332 -12.342  1.00  0.00           H  
ATOM    893  HG1 THR A  62       2.573  10.159 -12.188  1.00  0.00           H  
ATOM    894 HG21 THR A  62       4.447  11.556 -12.578  1.00  0.00           H  
ATOM    895 HG22 THR A  62       4.707  11.604 -10.821  1.00  0.00           H  
ATOM    896 HG23 THR A  62       4.453  13.119 -11.728  1.00  0.00           H  
ATOM    897  N   ASP A  63      -0.136  11.655  -9.755  1.00  0.00           N  
ATOM    898  CA  ASP A  63      -1.607  11.607  -9.571  1.00  0.00           C  
ATOM    899  C   ASP A  63      -1.874  10.915  -8.188  1.00  0.00           C  
ATOM    900  O   ASP A  63      -1.023  10.773  -7.303  1.00  0.00           O  
ATOM    901  CB  ASP A  63      -2.297  10.873 -10.784  1.00  0.00           C  
ATOM    902  CG  ASP A  63      -2.070  11.271 -12.254  1.00  0.00           C  
ATOM    903  OD1 ASP A  63      -0.943  11.652 -12.637  1.00  0.00           O  
ATOM    904  OD2 ASP A  63      -3.025  11.145 -13.053  1.00  0.00           O  
ATOM    905  H   ASP A  63       0.455  10.849  -9.526  1.00  0.00           H  
ATOM    906  HA  ASP A  63      -2.025  12.629  -9.488  1.00  0.00           H  
ATOM    907  HB2 ASP A  63      -2.089   9.789 -10.711  1.00  0.00           H  
ATOM    908  HB3 ASP A  63      -3.392  10.943 -10.621  1.00  0.00           H  
ATOM    909  N   LYS A  64      -3.091  10.379  -8.065  1.00  0.00           N  
ATOM    910  CA  LYS A  64      -3.315   8.943  -7.747  1.00  0.00           C  
ATOM    911  C   LYS A  64      -2.305   7.909  -8.365  1.00  0.00           C  
ATOM    912  O   LYS A  64      -2.555   7.279  -9.394  1.00  0.00           O  
ATOM    913  CB  LYS A  64      -4.816   8.575  -7.998  1.00  0.00           C  
ATOM    914  CG  LYS A  64      -5.717   9.346  -9.000  1.00  0.00           C  
ATOM    915  CD  LYS A  64      -5.794   8.785 -10.433  1.00  0.00           C  
ATOM    916  CE  LYS A  64      -7.204   9.024 -11.009  1.00  0.00           C  
ATOM    917  NZ  LYS A  64      -7.266   9.039 -12.474  1.00  0.00           N  
ATOM    918  H   LYS A  64      -3.727  10.786  -8.756  1.00  0.00           H  
ATOM    919  HA  LYS A  64      -3.202   8.864  -6.654  1.00  0.00           H  
ATOM    920  HB2 LYS A  64      -4.928   7.495  -8.211  1.00  0.00           H  
ATOM    921  HB3 LYS A  64      -5.331   8.686  -7.025  1.00  0.00           H  
ATOM    922  HG2 LYS A  64      -6.727   9.310  -8.553  1.00  0.00           H  
ATOM    923  HG3 LYS A  64      -5.512  10.433  -9.029  1.00  0.00           H  
ATOM    924  HD2 LYS A  64      -5.009   9.232 -11.065  1.00  0.00           H  
ATOM    925  HD3 LYS A  64      -5.578   7.700 -10.431  1.00  0.00           H  
ATOM    926  HE2 LYS A  64      -7.877   8.235 -10.627  1.00  0.00           H  
ATOM    927  HE3 LYS A  64      -7.631   9.979 -10.650  1.00  0.00           H  
ATOM    928  HZ1 LYS A  64      -6.369   8.766 -12.889  1.00  0.00           H  
ATOM    929  HZ2 LYS A  64      -7.485   9.984 -12.814  1.00  0.00           H  
ATOM    930  HZ3 LYS A  64      -7.994   8.401 -12.816  1.00  0.00           H  
ATOM    931  N   CYS A  65      -1.179   7.722  -7.641  1.00  0.00           N  
ATOM    932  CA  CYS A  65      -0.290   6.527  -7.748  1.00  0.00           C  
ATOM    933  C   CYS A  65      -0.924   5.141  -7.353  1.00  0.00           C  
ATOM    934  O   CYS A  65      -0.365   4.091  -7.689  1.00  0.00           O  
ATOM    935  CB  CYS A  65       0.895   6.840  -6.802  1.00  0.00           C  
ATOM    936  SG  CYS A  65       2.352   5.823  -7.066  1.00  0.00           S  
ATOM    937  H   CYS A  65      -1.084   8.370  -6.850  1.00  0.00           H  
ATOM    938  HA  CYS A  65       0.100   6.470  -8.782  1.00  0.00           H  
ATOM    939  HB2 CYS A  65       1.259   7.880  -6.916  1.00  0.00           H  
ATOM    940  HB3 CYS A  65       0.592   6.745  -5.740  1.00  0.00           H  
ATOM    941  N   ASN A  66      -2.069   5.172  -6.640  1.00  0.00           N  
ATOM    942  CA  ASN A  66      -2.706   4.041  -5.928  1.00  0.00           C  
ATOM    943  C   ASN A  66      -3.047   2.832  -6.850  1.00  0.00           C  
ATOM    944  O   ASN A  66      -3.804   3.032  -7.809  1.00  0.00           O  
ATOM    945  CB  ASN A  66      -4.027   4.523  -5.256  1.00  0.00           C  
ATOM    946  CG  ASN A  66      -3.935   5.742  -4.322  1.00  0.00           C  
ATOM    947  OD1 ASN A  66      -3.837   6.872  -4.796  1.00  0.00           O  
ATOM    948  ND2 ASN A  66      -3.966   5.554  -3.012  1.00  0.00           N  
ATOM    949  H   ASN A  66      -2.384   6.130  -6.449  1.00  0.00           H  
ATOM    950  HA  ASN A  66      -2.015   3.758  -5.113  1.00  0.00           H  
ATOM    951  HB2 ASN A  66      -4.768   4.781  -6.040  1.00  0.00           H  
ATOM    952  HB3 ASN A  66      -4.486   3.677  -4.710  1.00  0.00           H  
ATOM    953 HD21 ASN A  66      -4.109   4.593  -2.684  1.00  0.00           H  
ATOM    954 HD22 ASN A  66      -3.919   6.396  -2.425  1.00  0.00           H  
ATOM    955  N   PRO A  67      -2.564   1.581  -6.596  1.00  0.00           N  
ATOM    956  CA  PRO A  67      -2.916   0.407  -7.427  1.00  0.00           C  
ATOM    957  C   PRO A  67      -4.343  -0.124  -7.074  1.00  0.00           C  
ATOM    958  O   PRO A  67      -5.324   0.339  -7.656  1.00  0.00           O  
ATOM    959  CB  PRO A  67      -1.688  -0.515  -7.206  1.00  0.00           C  
ATOM    960  CG  PRO A  67      -1.186  -0.195  -5.797  1.00  0.00           C  
ATOM    961  CD  PRO A  67      -1.496   1.292  -5.617  1.00  0.00           C  
ATOM    962  HA  PRO A  67      -2.921   0.690  -8.499  1.00  0.00           H  
ATOM    963  HB2 PRO A  67      -1.914  -1.588  -7.344  1.00  0.00           H  
ATOM    964  HB3 PRO A  67      -0.899  -0.268  -7.940  1.00  0.00           H  
ATOM    965  HG2 PRO A  67      -1.737  -0.798  -5.051  1.00  0.00           H  
ATOM    966  HG3 PRO A  67      -0.111  -0.415  -5.664  1.00  0.00           H  
ATOM    967  HD2 PRO A  67      -1.808   1.508  -4.578  1.00  0.00           H  
ATOM    968  HD3 PRO A  67      -0.606   1.906  -5.844  1.00  0.00           H  
ATOM    969  N   HIS A  68      -4.413  -1.072  -6.128  1.00  0.00           N  
ATOM    970  CA  HIS A  68      -5.550  -1.992  -5.842  1.00  0.00           C  
ATOM    971  C   HIS A  68      -5.033  -2.931  -4.667  1.00  0.00           C  
ATOM    972  O   HIS A  68      -3.873  -2.850  -4.237  1.00  0.00           O  
ATOM    973  CB  HIS A  68      -5.928  -2.874  -7.093  1.00  0.00           C  
ATOM    974  CG  HIS A  68      -6.660  -2.219  -8.264  1.00  0.00           C  
ATOM    975  ND1 HIS A  68      -6.151  -2.167  -9.555  1.00  0.00           N  
ATOM    976  CD2 HIS A  68      -7.844  -1.458  -8.181  1.00  0.00           C  
ATOM    977  CE1 HIS A  68      -7.062  -1.321 -10.136  1.00  0.00           C  
ATOM    978  NE2 HIS A  68      -8.121  -0.861  -9.399  1.00  0.00           N  
ATOM    979  H   HIS A  68      -3.514  -1.227  -5.659  1.00  0.00           H  
ATOM    980  HA  HIS A  68      -6.425  -1.418  -5.478  1.00  0.00           H  
ATOM    981  HB2 HIS A  68      -5.012  -3.379  -7.461  1.00  0.00           H  
ATOM    982  HB3 HIS A  68      -6.578  -3.714  -6.794  1.00  0.00           H  
ATOM    983  HD1 HIS A  68      -5.249  -2.508  -9.910  1.00  0.00           H  
ATOM    984  HD2 HIS A  68      -8.398  -1.274  -7.273  1.00  0.00           H  
ATOM    985  HE1 HIS A  68      -6.891  -0.943 -11.133  1.00  0.00           H  
ATOM    986  HE2 HIS A  68      -8.802  -0.125  -9.613  1.00  0.00           H  
ATOM    987  N   PRO A  69      -5.744  -4.011  -4.240  1.00  0.00           N  
ATOM    988  CA  PRO A  69      -5.098  -5.344  -4.083  1.00  0.00           C  
ATOM    989  C   PRO A  69      -4.522  -5.813  -5.439  1.00  0.00           C  
ATOM    990  O   PRO A  69      -5.294  -5.965  -6.390  1.00  0.00           O  
ATOM    991  CB  PRO A  69      -6.248  -6.231  -3.572  1.00  0.00           C  
ATOM    992  CG  PRO A  69      -7.560  -5.492  -3.892  1.00  0.00           C  
ATOM    993  CD  PRO A  69      -7.207  -4.011  -4.069  1.00  0.00           C  
ATOM    994  HA  PRO A  69      -4.298  -5.303  -3.321  1.00  0.00           H  
ATOM    995  HB2 PRO A  69      -6.241  -7.257  -3.992  1.00  0.00           H  
ATOM    996  HB3 PRO A  69      -6.141  -6.370  -2.483  1.00  0.00           H  
ATOM    997  HG2 PRO A  69      -7.995  -5.878  -4.831  1.00  0.00           H  
ATOM    998  HG3 PRO A  69      -8.321  -5.655  -3.100  1.00  0.00           H  
ATOM    999  HD2 PRO A  69      -7.763  -3.566  -4.916  1.00  0.00           H  
ATOM   1000  HD3 PRO A  69      -7.478  -3.435  -3.163  1.00  0.00           H  
ATOM   1001  N   LYS A  70      -3.182  -5.930  -5.560  1.00  0.00           N  
ATOM   1002  CA  LYS A  70      -2.527  -6.152  -6.889  1.00  0.00           C  
ATOM   1003  C   LYS A  70      -3.092  -7.426  -7.605  1.00  0.00           C  
ATOM   1004  O   LYS A  70      -3.875  -7.211  -8.524  1.00  0.00           O  
ATOM   1005  CB  LYS A  70      -0.997  -5.889  -6.941  1.00  0.00           C  
ATOM   1006  CG  LYS A  70      -0.027  -6.500  -5.889  1.00  0.00           C  
ATOM   1007  CD  LYS A  70       0.690  -7.811  -6.293  1.00  0.00           C  
ATOM   1008  CE  LYS A  70       0.119  -9.113  -5.679  1.00  0.00           C  
ATOM   1009  NZ  LYS A  70       0.109 -10.234  -6.633  1.00  0.00           N  
ATOM   1010  H   LYS A  70      -2.646  -5.737  -4.712  1.00  0.00           H  
ATOM   1011  HA  LYS A  70      -2.888  -5.308  -7.505  1.00  0.00           H  
ATOM   1012  HB2 LYS A  70      -0.612  -6.080  -7.972  1.00  0.00           H  
ATOM   1013  HB3 LYS A  70      -0.858  -4.787  -6.862  1.00  0.00           H  
ATOM   1014  HG2 LYS A  70       0.778  -5.750  -5.737  1.00  0.00           H  
ATOM   1015  HG3 LYS A  70      -0.501  -6.602  -4.893  1.00  0.00           H  
ATOM   1016  HD2 LYS A  70       0.733  -7.896  -7.390  1.00  0.00           H  
ATOM   1017  HD3 LYS A  70       1.764  -7.715  -6.031  1.00  0.00           H  
ATOM   1018  HE2 LYS A  70       0.748  -9.437  -4.843  1.00  0.00           H  
ATOM   1019  HE3 LYS A  70      -0.891  -8.985  -5.226  1.00  0.00           H  
ATOM   1020  HZ1 LYS A  70      -0.448 -10.006  -7.468  1.00  0.00           H  
ATOM   1021  HZ2 LYS A  70      -0.304 -11.055  -6.177  1.00  0.00           H  
ATOM   1022  HZ3 LYS A  70       1.049 -10.529  -6.947  1.00  0.00           H  
ATOM   1023  N   GLN A  71      -2.838  -8.659  -7.123  1.00  0.00           N  
ATOM   1024  CA  GLN A  71      -3.738  -9.867  -7.240  1.00  0.00           C  
ATOM   1025  C   GLN A  71      -4.722 -10.163  -8.443  1.00  0.00           C  
ATOM   1026  O   GLN A  71      -5.571 -11.057  -8.309  1.00  0.00           O  
ATOM   1027  CB  GLN A  71      -4.299 -10.209  -5.782  1.00  0.00           C  
ATOM   1028  CG  GLN A  71      -5.411 -11.297  -5.587  1.00  0.00           C  
ATOM   1029  CD  GLN A  71      -5.813 -11.742  -4.156  1.00  0.00           C  
ATOM   1030  OE1 GLN A  71      -5.292 -11.265  -3.137  1.00  0.00           O  
ATOM   1031  NE2 GLN A  71      -6.742 -12.706  -4.077  1.00  0.00           N  
ATOM   1032  H   GLN A  71      -1.980  -8.692  -6.551  1.00  0.00           H  
ATOM   1033  HA  GLN A  71      -2.982 -10.662  -7.420  1.00  0.00           H  
ATOM   1034  HB2 GLN A  71      -3.446 -10.546  -5.169  1.00  0.00           H  
ATOM   1035  HB3 GLN A  71      -4.679  -9.305  -5.291  1.00  0.00           H  
ATOM   1036  HG2 GLN A  71      -6.341 -10.966  -6.083  1.00  0.00           H  
ATOM   1037  HG3 GLN A  71      -5.122 -12.205  -6.163  1.00  0.00           H  
ATOM   1038 HE21 GLN A  71      -7.313 -12.849  -4.917  1.00  0.00           H  
ATOM   1039 HE22 GLN A  71      -6.712 -13.363  -3.275  1.00  0.00           H  
ATOM   1040  N   ARG A  72      -4.564  -9.601  -9.685  1.00  0.00           N  
ATOM   1041  CA  ARG A  72      -5.648  -9.621 -10.626  1.00  0.00           C  
ATOM   1042  C   ARG A  72      -4.083 -10.195 -10.773  1.00  0.00           C  
ATOM   1043  O   ARG A  72      -3.256  -9.380 -11.218  1.00  0.00           O  
ATOM   1044  CB  ARG A  72      -6.153  -8.443 -11.496  1.00  0.00           C  
ATOM   1045  CG  ARG A  72      -6.311  -7.032 -10.897  1.00  0.00           C  
ATOM   1046  CD  ARG A  72      -7.425  -6.809  -9.837  1.00  0.00           C  
ATOM   1047  NE  ARG A  72      -7.067  -7.222  -8.463  1.00  0.00           N  
ATOM   1048  CZ  ARG A  72      -7.808  -8.032  -7.680  1.00  0.00           C  
ATOM   1049  NH1 ARG A  72      -8.786  -8.809  -8.141  1.00  0.00           N  
ATOM   1050  NH2 ARG A  72      -7.545  -8.078  -6.389  1.00  0.00           N  
ATOM   1051  H   ARG A  72      -4.019  -8.734  -9.582  1.00  0.00           H  
ATOM   1052  HA  ARG A  72      -6.468 -10.266 -10.288  1.00  0.00           H  
ATOM   1053  HB2 ARG A  72      -5.587  -8.402 -12.446  1.00  0.00           H  
ATOM   1054  HB3 ARG A  72      -7.168  -8.765 -11.850  1.00  0.00           H  
ATOM   1055  HG2 ARG A  72      -5.352  -6.684 -10.517  1.00  0.00           H  
ATOM   1056  HG3 ARG A  72      -6.535  -6.346 -11.734  1.00  0.00           H  
ATOM   1057  HD2 ARG A  72      -7.607  -5.711  -9.804  1.00  0.00           H  
ATOM   1058  HD3 ARG A  72      -8.382  -7.225 -10.198  1.00  0.00           H  
ATOM   1059  HE  ARG A  72      -6.382  -6.682  -7.925  1.00  0.00           H  
ATOM   1060 HH11 ARG A  72      -8.982  -8.749  -9.151  1.00  0.00           H  
ATOM   1061 HH12 ARG A  72      -9.285  -9.391  -7.450  1.00  0.00           H  
ATOM   1062 HH21 ARG A  72      -6.819  -7.429  -6.066  1.00  0.00           H  
ATOM   1063 HH22 ARG A  72      -8.139  -8.675  -5.799  1.00  0.00           H  
ATOM   1064  N   PRO A  73      -3.900 -11.646 -11.030  1.00  0.00           N  
ATOM   1065  CA  PRO A  73      -3.437 -12.503  -9.953  1.00  0.00           C  
ATOM   1066  C   PRO A  73      -2.704 -12.158 -11.347  1.00  0.00           C  
ATOM   1067  O   PRO A  73      -1.591 -11.667 -11.147  1.00  0.00           O  
ATOM   1068  CB  PRO A  73      -3.911 -13.974  -9.835  1.00  0.00           C  
ATOM   1069  CG  PRO A  73      -5.054 -14.003 -10.836  1.00  0.00           C  
ATOM   1070  CD  PRO A  73      -5.184 -12.496 -11.103  1.00  0.00           C  
ATOM   1071  HA  PRO A  73      -2.833 -12.102  -9.123  1.00  0.00           H  
ATOM   1072  HB2 PRO A  73      -3.147 -14.726 -10.102  1.00  0.00           H  
ATOM   1073  HB3 PRO A  73      -4.295 -14.225  -8.822  1.00  0.00           H  
ATOM   1074  HG2 PRO A  73      -4.773 -14.540 -11.763  1.00  0.00           H  
ATOM   1075  HG3 PRO A  73      -5.991 -14.442 -10.448  1.00  0.00           H  
ATOM   1076  HD2 PRO A  73      -5.728 -12.319 -12.052  1.00  0.00           H  
ATOM   1077  HD3 PRO A  73      -5.926 -12.191 -10.358  1.00  0.00           H  
ATOM   1078  N   GLY A  74      -3.237 -11.679 -12.402  1.00  0.00           N  
ATOM   1079  CA  GLY A  74      -3.518 -12.498 -13.608  1.00  0.00           C  
ATOM   1080  C   GLY A  74      -2.375 -13.214 -14.336  1.00  0.00           C  
ATOM   1081  O   GLY A  74      -1.439 -12.542 -14.831  1.00  0.00           O  
ATOM   1082  OXT GLY A  74      -2.431 -14.457 -14.455  1.00  0.00           O  
ATOM   1083  H   GLY A  74      -2.842 -10.778 -12.676  1.00  0.00           H  
ATOM   1084  HA2 GLY A  74      -4.335 -13.199 -13.420  1.00  0.00           H  
ATOM   1085  HA3 GLY A  74      -3.927 -11.783 -14.330  1.00  0.00           H  
TER    1086      GLY A  74                                                      
ATOM   1087  N   TYR B 181      -4.106 -16.173  25.078  1.00  0.00           N  
ATOM   1088  CA  TYR B 181      -2.969 -17.006  24.634  1.00  0.00           C  
ATOM   1089  C   TYR B 181      -2.123 -16.125  23.662  1.00  0.00           C  
ATOM   1090  O   TYR B 181      -1.687 -15.027  24.022  1.00  0.00           O  
ATOM   1091  CB  TYR B 181      -3.496 -18.367  24.071  1.00  0.00           C  
ATOM   1092  CG  TYR B 181      -4.136 -19.406  25.007  1.00  0.00           C  
ATOM   1093  CD1 TYR B 181      -3.365 -20.006  26.003  1.00  0.00           C  
ATOM   1094  CD2 TYR B 181      -5.428 -19.887  24.748  1.00  0.00           C  
ATOM   1095  CE1 TYR B 181      -3.866 -21.094  26.721  1.00  0.00           C  
ATOM   1096  CE2 TYR B 181      -5.925 -20.975  25.469  1.00  0.00           C  
ATOM   1097  CZ  TYR B 181      -5.145 -21.578  26.446  1.00  0.00           C  
ATOM   1098  OH  TYR B 181      -5.620 -22.673  27.128  1.00  0.00           O  
ATOM   1099  H1  TYR B 181      -4.761 -15.988  24.309  1.00  0.00           H  
ATOM   1100  H2  TYR B 181      -3.780 -15.261  25.410  1.00  0.00           H  
ATOM   1101  H3  TYR B 181      -4.637 -16.610  25.836  1.00  0.00           H  
ATOM   1102  HA  TYR B 181      -2.328 -17.213  25.510  1.00  0.00           H  
ATOM   1103  HB2 TYR B 181      -4.206 -18.148  23.254  1.00  0.00           H  
ATOM   1104  HB3 TYR B 181      -2.656 -18.889  23.567  1.00  0.00           H  
ATOM   1105  HD1 TYR B 181      -2.353 -19.667  26.194  1.00  0.00           H  
ATOM   1106  HD2 TYR B 181      -6.036 -19.450  23.971  1.00  0.00           H  
ATOM   1107  HE1 TYR B 181      -3.249 -21.577  27.461  1.00  0.00           H  
ATOM   1108  HE2 TYR B 181      -6.906 -21.363  25.247  1.00  0.00           H  
ATOM   1109  HH  TYR B 181      -4.982 -22.938  27.793  1.00  0.00           H  
ATOM   1110  N   ARG B 182      -1.888 -16.548  22.413  1.00  0.00           N  
ATOM   1111  CA  ARG B 182      -2.566 -15.967  21.214  1.00  0.00           C  
ATOM   1112  C   ARG B 182      -3.245 -14.547  21.304  1.00  0.00           C  
ATOM   1113  O   ARG B 182      -4.284 -14.321  21.935  1.00  0.00           O  
ATOM   1114  CB  ARG B 182      -3.517 -17.023  20.575  1.00  0.00           C  
ATOM   1115  CG  ARG B 182      -2.798 -18.252  19.947  1.00  0.00           C  
ATOM   1116  CD  ARG B 182      -3.347 -19.641  20.334  1.00  0.00           C  
ATOM   1117  NE  ARG B 182      -4.351 -20.140  19.360  1.00  0.00           N  
ATOM   1118  CZ  ARG B 182      -4.417 -21.404  18.901  1.00  0.00           C  
ATOM   1119  NH1 ARG B 182      -3.595 -22.383  19.283  1.00  0.00           N  
ATOM   1120  NH2 ARG B 182      -5.355 -21.693  18.019  1.00  0.00           N  
ATOM   1121  H   ARG B 182      -1.778 -17.570  22.399  1.00  0.00           H  
ATOM   1122  HA  ARG B 182      -1.747 -15.895  20.473  1.00  0.00           H  
ATOM   1123  HB2 ARG B 182      -4.283 -17.329  21.305  1.00  0.00           H  
ATOM   1124  HB3 ARG B 182      -4.122 -16.556  19.777  1.00  0.00           H  
ATOM   1125  HG2 ARG B 182      -2.740 -18.124  18.847  1.00  0.00           H  
ATOM   1126  HG3 ARG B 182      -1.732 -18.243  20.249  1.00  0.00           H  
ATOM   1127  HD2 ARG B 182      -2.491 -20.331  20.422  1.00  0.00           H  
ATOM   1128  HD3 ARG B 182      -3.782 -19.635  21.349  1.00  0.00           H  
ATOM   1129  HE  ARG B 182      -5.055 -19.513  18.953  1.00  0.00           H  
ATOM   1130 HH11 ARG B 182      -2.868 -22.123  19.959  1.00  0.00           H  
ATOM   1131 HH12 ARG B 182      -3.733 -23.304  18.849  1.00  0.00           H  
ATOM   1132 HH21 ARG B 182      -5.972 -20.924  17.733  1.00  0.00           H  
ATOM   1133 HH22 ARG B 182      -5.374 -22.659  17.669  1.00  0.00           H  
ATOM   1134  N   GLY B 183      -2.583 -13.630  20.603  1.00  0.00           N  
ATOM   1135  CA  GLY B 183      -3.086 -12.314  20.187  1.00  0.00           C  
ATOM   1136  C   GLY B 183      -1.847 -11.451  19.885  1.00  0.00           C  
ATOM   1137  O   GLY B 183      -1.560 -10.562  20.689  1.00  0.00           O  
ATOM   1138  H   GLY B 183      -1.760 -14.027  20.134  1.00  0.00           H  
ATOM   1139  HA2 GLY B 183      -3.711 -12.385  19.277  1.00  0.00           H  
ATOM   1140  HA3 GLY B 183      -3.709 -11.838  20.968  1.00  0.00           H  
ATOM   1141  N   TRP B 184      -1.028 -11.565  18.816  1.00  0.00           N  
ATOM   1142  CA  TRP B 184      -1.044 -12.582  17.721  1.00  0.00           C  
ATOM   1143  C   TRP B 184      -1.855 -12.027  16.533  1.00  0.00           C  
ATOM   1144  O   TRP B 184      -3.086 -11.998  16.594  1.00  0.00           O  
ATOM   1145  CB  TRP B 184      -1.044 -14.155  17.946  1.00  0.00           C  
ATOM   1146  CG  TRP B 184      -2.154 -15.087  17.366  1.00  0.00           C  
ATOM   1147  CD1 TRP B 184      -3.562 -14.934  17.455  1.00  0.00           C  
ATOM   1148  CD2 TRP B 184      -1.985 -16.288  16.672  1.00  0.00           C  
ATOM   1149  NE1 TRP B 184      -4.264 -15.986  16.831  1.00  0.00           N  
ATOM   1150  CE2 TRP B 184      -3.267 -16.807  16.347  1.00  0.00           C  
ATOM   1151  CE3 TRP B 184      -0.818 -17.016  16.315  1.00  0.00           C  
ATOM   1152  CZ2 TRP B 184      -3.388 -18.038  15.651  1.00  0.00           C  
ATOM   1153  CZ3 TRP B 184      -0.959 -18.215  15.618  1.00  0.00           C  
ATOM   1154  CH2 TRP B 184      -2.224 -18.719  15.290  1.00  0.00           C  
ATOM   1155  H   TRP B 184      -0.465 -10.719  18.671  1.00  0.00           H  
ATOM   1156  HA  TRP B 184       0.012 -12.456  17.421  1.00  0.00           H  
ATOM   1157  HB2 TRP B 184      -0.110 -14.532  17.495  1.00  0.00           H  
ATOM   1158  HB3 TRP B 184      -0.848 -14.405  19.002  1.00  0.00           H  
ATOM   1159  HD1 TRP B 184      -4.064 -14.130  17.967  1.00  0.00           H  
ATOM   1160  HE1 TRP B 184      -5.263 -16.221  16.883  1.00  0.00           H  
ATOM   1161  HE3 TRP B 184       0.168 -16.664  16.588  1.00  0.00           H  
ATOM   1162  HZ2 TRP B 184      -4.359 -18.440  15.389  1.00  0.00           H  
ATOM   1163  HZ3 TRP B 184      -0.080 -18.778  15.333  1.00  0.00           H  
ATOM   1164  HH2 TRP B 184      -2.300 -19.654  14.752  1.00  0.00           H  
ATOM   1165  N   LYS B 185      -1.161 -11.677  15.433  1.00  0.00           N  
ATOM   1166  CA  LYS B 185      -1.262 -12.444  14.158  1.00  0.00           C  
ATOM   1167  C   LYS B 185      -2.686 -12.923  13.716  1.00  0.00           C  
ATOM   1168  O   LYS B 185      -3.148 -13.931  14.251  1.00  0.00           O  
ATOM   1169  CB  LYS B 185      -0.184 -13.588  14.155  1.00  0.00           C  
ATOM   1170  CG  LYS B 185       1.249 -13.260  13.667  1.00  0.00           C  
ATOM   1171  CD  LYS B 185       2.087 -12.219  14.441  1.00  0.00           C  
ATOM   1172  CE  LYS B 185       2.432 -10.942  13.649  1.00  0.00           C  
ATOM   1173  NZ  LYS B 185       1.312 -10.016  13.412  1.00  0.00           N  
ATOM   1174  H   LYS B 185      -0.206 -11.398  15.697  1.00  0.00           H  
ATOM   1175  HA  LYS B 185      -0.968 -11.730  13.384  1.00  0.00           H  
ATOM   1176  HB2 LYS B 185      -0.118 -14.095  15.144  1.00  0.00           H  
ATOM   1177  HB3 LYS B 185      -0.539 -14.390  13.480  1.00  0.00           H  
ATOM   1178  HG2 LYS B 185       1.798 -14.219  13.717  1.00  0.00           H  
ATOM   1179  HG3 LYS B 185       1.260 -13.017  12.590  1.00  0.00           H  
ATOM   1180  HD2 LYS B 185       1.654 -11.962  15.431  1.00  0.00           H  
ATOM   1181  HD3 LYS B 185       3.059 -12.696  14.686  1.00  0.00           H  
ATOM   1182  HE2 LYS B 185       3.227 -10.404  14.194  1.00  0.00           H  
ATOM   1183  HE3 LYS B 185       2.865 -11.198  12.666  1.00  0.00           H  
ATOM   1184  HZ1 LYS B 185       0.872  -9.712  14.285  1.00  0.00           H  
ATOM   1185  HZ2 LYS B 185       0.575 -10.423  12.830  1.00  0.00           H  
ATOM   1186  HZ3 LYS B 185       1.634  -9.181  12.911  1.00  0.00           H  
ATOM   1187  N   HIS B 186      -3.485 -12.330  12.795  1.00  0.00           N  
ATOM   1188  CA  HIS B 186      -3.105 -11.248  11.833  1.00  0.00           C  
ATOM   1189  C   HIS B 186      -2.058 -11.693  10.746  1.00  0.00           C  
ATOM   1190  O   HIS B 186      -1.893 -12.898  10.529  1.00  0.00           O  
ATOM   1191  CB  HIS B 186      -3.004  -9.865  12.555  1.00  0.00           C  
ATOM   1192  CG  HIS B 186      -3.236  -8.629  11.683  1.00  0.00           C  
ATOM   1193  ND1 HIS B 186      -4.415  -8.321  11.011  1.00  0.00           N  
ATOM   1194  CD2 HIS B 186      -2.279  -7.621  11.468  1.00  0.00           C  
ATOM   1195  CE1 HIS B 186      -4.047  -7.141  10.422  1.00  0.00           C  
ATOM   1196  NE2 HIS B 186      -2.793  -6.636  10.645  1.00  0.00           N  
ATOM   1197  H   HIS B 186      -4.429 -12.721  12.763  1.00  0.00           H  
ATOM   1198  HA  HIS B 186      -4.026 -11.174  11.222  1.00  0.00           H  
ATOM   1199  HB2 HIS B 186      -3.746  -9.820  13.372  1.00  0.00           H  
ATOM   1200  HB3 HIS B 186      -2.052  -9.758  13.112  1.00  0.00           H  
ATOM   1201  HD1 HIS B 186      -5.320  -8.806  11.002  1.00  0.00           H  
ATOM   1202  HD2 HIS B 186      -1.283  -7.621  11.883  1.00  0.00           H  
ATOM   1203  HE1 HIS B 186      -4.744  -6.602   9.797  1.00  0.00           H  
ATOM   1204  HE2 HIS B 186      -2.344  -5.794  10.268  1.00  0.00           H  
ATOM   1205  N   TRP B 187      -1.479 -10.776   9.947  1.00  0.00           N  
ATOM   1206  CA  TRP B 187      -1.112 -11.084   8.533  1.00  0.00           C  
ATOM   1207  C   TRP B 187       0.389 -10.690   8.263  1.00  0.00           C  
ATOM   1208  O   TRP B 187       1.223 -11.452   8.753  1.00  0.00           O  
ATOM   1209  CB  TRP B 187      -2.306 -10.593   7.658  1.00  0.00           C  
ATOM   1210  CG  TRP B 187      -3.480 -11.575   7.571  1.00  0.00           C  
ATOM   1211  CD1 TRP B 187      -4.673 -11.518   8.315  1.00  0.00           C  
ATOM   1212  CD2 TRP B 187      -3.493 -12.803   6.946  1.00  0.00           C  
ATOM   1213  NE1 TRP B 187      -5.454 -12.674   8.139  1.00  0.00           N  
ATOM   1214  CE2 TRP B 187      -4.694 -13.463   7.293  1.00  0.00           C  
ATOM   1215  CE3 TRP B 187      -2.490 -13.475   6.207  1.00  0.00           C  
ATOM   1216  CZ2 TRP B 187      -4.909 -14.804   6.889  1.00  0.00           C  
ATOM   1217  CZ3 TRP B 187      -2.727 -14.785   5.800  1.00  0.00           C  
ATOM   1218  CH2 TRP B 187      -3.920 -15.440   6.126  1.00  0.00           C  
ATOM   1219  H   TRP B 187      -1.722  -9.810  10.191  1.00  0.00           H  
ATOM   1220  HA  TRP B 187      -1.077 -12.184   8.380  1.00  0.00           H  
ATOM   1221  HB2 TRP B 187      -2.688  -9.598   7.956  1.00  0.00           H  
ATOM   1222  HB3 TRP B 187      -1.955 -10.419   6.650  1.00  0.00           H  
ATOM   1223  HD1 TRP B 187      -4.872 -10.772   9.069  1.00  0.00           H  
ATOM   1224  HE1 TRP B 187      -6.255 -12.972   8.703  1.00  0.00           H  
ATOM   1225  HE3 TRP B 187      -1.566 -12.983   5.956  1.00  0.00           H  
ATOM   1226  HZ2 TRP B 187      -5.811 -15.318   7.177  1.00  0.00           H  
ATOM   1227  HZ3 TRP B 187      -1.980 -15.285   5.205  1.00  0.00           H  
ATOM   1228  HH2 TRP B 187      -4.072 -16.454   5.784  1.00  0.00           H  
ATOM   1229  N   VAL B 188       0.960  -9.620   7.655  1.00  0.00           N  
ATOM   1230  CA  VAL B 188       0.359  -8.642   6.693  1.00  0.00           C  
ATOM   1231  C   VAL B 188      -0.773  -7.729   7.309  1.00  0.00           C  
ATOM   1232  O   VAL B 188      -1.040  -7.864   8.502  1.00  0.00           O  
ATOM   1233  CB  VAL B 188       0.377  -9.152   5.191  1.00  0.00           C  
ATOM   1234  CG1 VAL B 188       1.786  -9.154   4.552  1.00  0.00           C  
ATOM   1235  CG2 VAL B 188      -0.291 -10.480   4.769  1.00  0.00           C  
ATOM   1236  H   VAL B 188       1.868  -9.404   8.088  1.00  0.00           H  
ATOM   1237  HA  VAL B 188       1.156  -7.878   6.674  1.00  0.00           H  
ATOM   1238  HB  VAL B 188      -0.164  -8.402   4.626  1.00  0.00           H  
ATOM   1239 HG11 VAL B 188       1.732  -9.389   3.470  1.00  0.00           H  
ATOM   1240 HG12 VAL B 188       2.458  -9.900   5.017  1.00  0.00           H  
ATOM   1241 HG13 VAL B 188       2.272  -8.162   4.622  1.00  0.00           H  
ATOM   1242 HG21 VAL B 188      -1.388 -10.392   4.741  1.00  0.00           H  
ATOM   1243 HG22 VAL B 188      -0.057 -10.762   3.724  1.00  0.00           H  
ATOM   1244 HG23 VAL B 188      -0.005 -11.341   5.402  1.00  0.00           H  
ATOM   1245  N   TYR B 189      -1.490  -6.730   6.749  1.00  0.00           N  
ATOM   1246  CA  TYR B 189      -1.164  -5.902   5.555  1.00  0.00           C  
ATOM   1247  C   TYR B 189      -1.754  -6.426   4.217  1.00  0.00           C  
ATOM   1248  O   TYR B 189      -0.996  -6.719   3.291  1.00  0.00           O  
ATOM   1249  CB  TYR B 189       0.274  -5.291   5.363  1.00  0.00           C  
ATOM   1250  CG  TYR B 189       1.202  -5.032   6.559  1.00  0.00           C  
ATOM   1251  CD1 TYR B 189       0.733  -4.411   7.718  1.00  0.00           C  
ATOM   1252  CD2 TYR B 189       2.511  -5.531   6.529  1.00  0.00           C  
ATOM   1253  CE1 TYR B 189       1.522  -4.377   8.863  1.00  0.00           C  
ATOM   1254  CE2 TYR B 189       3.302  -5.490   7.672  1.00  0.00           C  
ATOM   1255  CZ  TYR B 189       2.798  -4.935   8.847  1.00  0.00           C  
ATOM   1256  OH  TYR B 189       3.536  -4.975  10.000  1.00  0.00           O  
ATOM   1257  H   TYR B 189      -2.181  -6.357   7.410  1.00  0.00           H  
ATOM   1258  HA  TYR B 189      -1.761  -4.989   5.765  1.00  0.00           H  
ATOM   1259  HB2 TYR B 189       0.828  -5.924   4.645  1.00  0.00           H  
ATOM   1260  HB3 TYR B 189       0.158  -4.335   4.813  1.00  0.00           H  
ATOM   1261  HD1 TYR B 189      -0.269  -4.007   7.747  1.00  0.00           H  
ATOM   1262  HD2 TYR B 189       2.895  -6.021   5.643  1.00  0.00           H  
ATOM   1263  HE1 TYR B 189       1.128  -3.938   9.769  1.00  0.00           H  
ATOM   1264  HE2 TYR B 189       4.291  -5.927   7.643  1.00  0.00           H  
ATOM   1265  HH  TYR B 189       4.352  -5.455   9.839  1.00  0.00           H  
ATOM   1266  N   TYR B 190      -3.089  -6.488   4.034  1.00  0.00           N  
ATOM   1267  CA  TYR B 190      -3.662  -6.546   2.662  1.00  0.00           C  
ATOM   1268  C   TYR B 190      -4.902  -5.630   2.482  1.00  0.00           C  
ATOM   1269  O   TYR B 190      -5.963  -5.811   3.086  1.00  0.00           O  
ATOM   1270  CB  TYR B 190      -3.879  -7.940   1.986  1.00  0.00           C  
ATOM   1271  CG  TYR B 190      -3.934  -9.281   2.739  1.00  0.00           C  
ATOM   1272  CD1 TYR B 190      -5.070  -9.643   3.473  1.00  0.00           C  
ATOM   1273  CD2 TYR B 190      -2.989 -10.258   2.414  1.00  0.00           C  
ATOM   1274  CE1 TYR B 190      -5.290 -10.981   3.800  1.00  0.00           C  
ATOM   1275  CE2 TYR B 190      -3.202 -11.588   2.757  1.00  0.00           C  
ATOM   1276  CZ  TYR B 190      -4.369 -11.957   3.421  1.00  0.00           C  
ATOM   1277  OH  TYR B 190      -4.641 -13.285   3.640  1.00  0.00           O  
ATOM   1278  H   TYR B 190      -3.651  -6.282   4.866  1.00  0.00           H  
ATOM   1279  HA  TYR B 190      -2.873  -6.107   2.010  1.00  0.00           H  
ATOM   1280  HB2 TYR B 190      -4.795  -7.912   1.373  1.00  0.00           H  
ATOM   1281  HB3 TYR B 190      -3.128  -8.018   1.181  1.00  0.00           H  
ATOM   1282  HD1 TYR B 190      -5.822  -8.903   3.715  1.00  0.00           H  
ATOM   1283  HD2 TYR B 190      -2.121 -10.002   1.827  1.00  0.00           H  
ATOM   1284  HE1 TYR B 190      -6.207 -11.262   4.303  1.00  0.00           H  
ATOM   1285  HE2 TYR B 190      -2.483 -12.334   2.469  1.00  0.00           H  
ATOM   1286  HH  TYR B 190      -5.578 -13.397   3.828  1.00  0.00           H  
ATOM   1287  N   THR B 191      -4.750  -4.766   1.469  1.00  0.00           N  
ATOM   1288  CA  THR B 191      -5.792  -4.371   0.482  1.00  0.00           C  
ATOM   1289  C   THR B 191      -6.902  -5.383   0.026  1.00  0.00           C  
ATOM   1290  O   THR B 191      -7.902  -4.916  -0.529  1.00  0.00           O  
ATOM   1291  CB  THR B 191      -5.111  -3.746  -0.794  1.00  0.00           C  
ATOM   1292  OG1 THR B 191      -3.683  -3.828  -0.827  1.00  0.00           O  
ATOM   1293  CG2 THR B 191      -5.518  -2.296  -1.085  1.00  0.00           C  
ATOM   1294  H   THR B 191      -3.763  -4.618   1.227  1.00  0.00           H  
ATOM   1295  HA  THR B 191      -6.349  -3.570   0.995  1.00  0.00           H  
ATOM   1296  HB  THR B 191      -5.442  -4.304  -1.674  1.00  0.00           H  
ATOM   1297  HG1 THR B 191      -3.380  -3.130  -1.409  1.00  0.00           H  
ATOM   1298 HG21 THR B 191      -6.595  -2.209  -1.311  1.00  0.00           H  
ATOM   1299 HG22 THR B 191      -4.972  -1.870  -1.945  1.00  0.00           H  
ATOM   1300 HG23 THR B 191      -5.308  -1.659  -0.221  1.00  0.00           H  
ATOM   1301  N   CYS B 192      -6.763  -6.716   0.242  1.00  0.00           N  
ATOM   1302  CA  CYS B 192      -7.858  -7.717   0.097  1.00  0.00           C  
ATOM   1303  C   CYS B 192      -9.216  -7.253   0.658  1.00  0.00           C  
ATOM   1304  O   CYS B 192      -9.314  -6.588   1.700  1.00  0.00           O  
ATOM   1305  CB  CYS B 192      -7.520  -9.028   0.861  1.00  0.00           C  
ATOM   1306  SG  CYS B 192      -8.943 -10.162   1.069  1.00  0.00           S  
ATOM   1307  H   CYS B 192      -5.867  -6.969   0.659  1.00  0.00           H  
ATOM   1308  HA  CYS B 192      -7.937  -7.951  -0.983  1.00  0.00           H  
ATOM   1309  HB2 CYS B 192      -6.698  -9.575   0.358  1.00  0.00           H  
ATOM   1310  HB3 CYS B 192      -7.156  -8.795   1.880  1.00  0.00           H  
ATOM   1311  N   CYS B 193     -10.252  -7.726  -0.035  1.00  0.00           N  
ATOM   1312  CA  CYS B 193     -11.633  -7.700   0.477  1.00  0.00           C  
ATOM   1313  C   CYS B 193     -12.134  -6.228   0.727  1.00  0.00           C  
ATOM   1314  O   CYS B 193     -12.363  -5.865   1.885  1.00  0.00           O  
ATOM   1315  CB  CYS B 193     -11.856  -8.770   1.590  1.00  0.00           C  
ATOM   1316  SG  CYS B 193     -10.341  -9.441   2.372  1.00  0.00           S  
ATOM   1317  H   CYS B 193      -9.986  -8.275  -0.859  1.00  0.00           H  
ATOM   1318  HA  CYS B 193     -12.248  -8.065  -0.359  1.00  0.00           H  
ATOM   1319  HB2 CYS B 193     -12.524  -8.383   2.378  1.00  0.00           H  
ATOM   1320  HB3 CYS B 193     -12.412  -9.626   1.178  1.00  0.00           H  
ATOM   1321  N   PRO B 194     -12.306  -5.354  -0.316  1.00  0.00           N  
ATOM   1322  CA  PRO B 194     -12.822  -3.970  -0.164  1.00  0.00           C  
ATOM   1323  C   PRO B 194     -14.190  -3.803   0.536  1.00  0.00           C  
ATOM   1324  O   PRO B 194     -14.892  -4.760   0.874  1.00  0.00           O  
ATOM   1325  CB  PRO B 194     -12.840  -3.413  -1.620  1.00  0.00           C  
ATOM   1326  CG  PRO B 194     -12.681  -4.621  -2.524  1.00  0.00           C  
ATOM   1327  CD  PRO B 194     -11.853  -5.594  -1.698  1.00  0.00           C  
ATOM   1328  HA  PRO B 194     -12.095  -3.387   0.441  1.00  0.00           H  
ATOM   1329  HB2 PRO B 194     -13.768  -2.881  -1.903  1.00  0.00           H  
ATOM   1330  HB3 PRO B 194     -12.042  -2.661  -1.763  1.00  0.00           H  
ATOM   1331  HG2 PRO B 194     -13.673  -5.070  -2.729  1.00  0.00           H  
ATOM   1332  HG3 PRO B 194     -12.212  -4.345  -3.484  1.00  0.00           H  
ATOM   1333  HD2 PRO B 194     -12.029  -6.625  -2.053  1.00  0.00           H  
ATOM   1334  HD3 PRO B 194     -10.771  -5.347  -1.778  1.00  0.00           H  
ATOM   1335  N   ASP B 195     -14.658  -2.549   0.556  1.00  0.00           N  
ATOM   1336  CA  ASP B 195     -14.727  -1.711   1.762  1.00  0.00           C  
ATOM   1337  C   ASP B 195     -16.121  -1.666   2.464  1.00  0.00           C  
ATOM   1338  O   ASP B 195     -16.111  -1.516   3.683  1.00  0.00           O  
ATOM   1339  CB  ASP B 195     -14.210  -0.298   1.383  1.00  0.00           C  
ATOM   1340  CG  ASP B 195     -14.006   0.655   2.569  1.00  0.00           C  
ATOM   1341  OD1 ASP B 195     -13.208   0.337   3.480  1.00  0.00           O  
ATOM   1342  OD2 ASP B 195     -14.597   1.755   2.546  1.00  0.00           O  
ATOM   1343  H   ASP B 195     -15.528  -2.504   0.041  1.00  0.00           H  
ATOM   1344  HA  ASP B 195     -14.012  -2.160   2.474  1.00  0.00           H  
ATOM   1345  HB2 ASP B 195     -13.223  -0.402   0.904  1.00  0.00           H  
ATOM   1346  HB3 ASP B 195     -14.870   0.145   0.611  1.00  0.00           H  
ATOM   1347  N   THR B 196     -17.338  -1.826   1.937  1.00  0.00           N  
ATOM   1348  CA  THR B 196     -17.750  -1.830   0.516  1.00  0.00           C  
ATOM   1349  C   THR B 196     -18.757  -0.630   0.279  1.00  0.00           C  
ATOM   1350  O   THR B 196     -19.251  -0.059   1.268  1.00  0.00           O  
ATOM   1351  CB  THR B 196     -18.301  -3.264   0.167  1.00  0.00           C  
ATOM   1352  OG1 THR B 196     -17.481  -3.737  -0.897  1.00  0.00           O  
ATOM   1353  CG2 THR B 196     -18.378  -4.429   1.215  1.00  0.00           C  
ATOM   1354  H   THR B 196     -18.024  -2.186   2.602  1.00  0.00           H  
ATOM   1355  HA  THR B 196     -16.884  -1.622  -0.123  1.00  0.00           H  
ATOM   1356  HB  THR B 196     -19.330  -3.176  -0.232  1.00  0.00           H  
ATOM   1357  HG1 THR B 196     -16.663  -3.228  -0.927  1.00  0.00           H  
ATOM   1358 HG21 THR B 196     -18.973  -4.198   2.113  1.00  0.00           H  
ATOM   1359 HG22 THR B 196     -18.688  -5.418   0.818  1.00  0.00           H  
ATOM   1360 HG23 THR B 196     -17.380  -4.630   1.606  1.00  0.00           H  
ATOM   1361  N   PRO B 197     -19.130  -0.177  -0.967  1.00  0.00           N  
ATOM   1362  CA  PRO B 197     -20.019   0.995  -1.166  1.00  0.00           C  
ATOM   1363  C   PRO B 197     -21.540   0.659  -1.195  1.00  0.00           C  
ATOM   1364  O   PRO B 197     -22.211   0.873  -0.178  1.00  0.00           O  
ATOM   1365  CB  PRO B 197     -19.465   1.708  -2.419  1.00  0.00           C  
ATOM   1366  CG  PRO B 197     -18.475   0.735  -3.064  1.00  0.00           C  
ATOM   1367  CD  PRO B 197     -18.546  -0.578  -2.270  1.00  0.00           C  
ATOM   1368  HA  PRO B 197     -19.863   1.682  -0.319  1.00  0.00           H  
ATOM   1369  HB2 PRO B 197     -20.246   2.033  -3.141  1.00  0.00           H  
ATOM   1370  HB3 PRO B 197     -18.940   2.651  -2.164  1.00  0.00           H  
ATOM   1371  HG2 PRO B 197     -18.660   0.592  -4.152  1.00  0.00           H  
ATOM   1372  HG3 PRO B 197     -17.467   1.167  -3.011  1.00  0.00           H  
ATOM   1373  HD2 PRO B 197     -19.204  -1.283  -2.810  1.00  0.00           H  
ATOM   1374  HD3 PRO B 197     -17.562  -1.057  -2.242  1.00  0.00           H  
ATOM   1375  N   TYR B 198     -22.048   0.033  -2.289  1.00  0.00           N  
ATOM   1376  CA  TYR B 198     -23.133  -0.976  -2.197  1.00  0.00           C  
ATOM   1377  C   TYR B 198     -24.567  -0.358  -2.243  1.00  0.00           C  
ATOM   1378  O   TYR B 198     -25.351  -0.722  -3.149  1.00  0.00           O  
ATOM   1379  CB  TYR B 198     -22.802  -2.074  -1.114  1.00  0.00           C  
ATOM   1380  CG  TYR B 198     -23.966  -2.778  -0.438  1.00  0.00           C  
ATOM   1381  CD1 TYR B 198     -24.635  -3.789  -1.122  1.00  0.00           C  
ATOM   1382  CD2 TYR B 198     -24.461  -2.318   0.791  1.00  0.00           C  
ATOM   1383  CE1 TYR B 198     -25.814  -4.315  -0.609  1.00  0.00           C  
ATOM   1384  CE2 TYR B 198     -25.648  -2.840   1.296  1.00  0.00           C  
ATOM   1385  CZ  TYR B 198     -26.327  -3.829   0.593  1.00  0.00           C  
ATOM   1386  OH  TYR B 198     -27.527  -4.293   1.052  1.00  0.00           O  
ATOM   1387  H   TYR B 198     -21.419   0.037  -3.106  1.00  0.00           H  
ATOM   1388  HA  TYR B 198     -23.059  -1.537  -3.147  1.00  0.00           H  
ATOM   1389  HB2 TYR B 198     -22.136  -2.828  -1.576  1.00  0.00           H  
ATOM   1390  HB3 TYR B 198     -22.161  -1.678  -0.309  1.00  0.00           H  
ATOM   1391  HD1 TYR B 198     -24.272  -4.126  -2.086  1.00  0.00           H  
ATOM   1392  HD2 TYR B 198     -23.972  -1.514   1.322  1.00  0.00           H  
ATOM   1393  HE1 TYR B 198     -26.350  -5.064  -1.168  1.00  0.00           H  
ATOM   1394  HE2 TYR B 198     -26.053  -2.460   2.222  1.00  0.00           H  
ATOM   1395  HH  TYR B 198     -28.208  -3.710   0.711  1.00  0.00           H  
TER    1396      TYR B 198                                                      
CONECT   43  311                                                                
CONECT  218  639                                                                
CONECT  311   43                                                                
CONECT  429  481                                                                
CONECT  481  429                                                                
CONECT  639  218                                                                
CONECT  683  857                                                                
CONECT  857  683                                                                
CONECT  867  936                                                                
CONECT  936  867                                                                
CONECT 1306 1316                                                                
CONECT 1316 1306                                                                
MASTER      304    0    0    0    0    0    0    6  716    2   12    8          
END