HEADER    METAL BINDING PROTEIN                   01-JUL-01   1JI9              
TITLE     SOLUTION STRUCTURE OF THE ALPHA-DOMAIN OF MOUSE METALLOTHIONEIN-3     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: METALLOTHIONEIN-III;                                       
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: C-TERMINAL (ALPHA) DOMAIN;                                 
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: HOUSE MOUSE;                                        
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET3D                                     
KEYWDS    3-10 HELIX, CD-S CLUSTER, HALF TURN, TYPE II TURN, METAL BINDING      
KEYWDS   2 PROTEIN                                                              
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    G.OZ,K.ZANGGER,I.M.ARMITAGE                                           
REVDAT   3   23-FEB-22 1JI9    1       REMARK LINK                              
REVDAT   2   24-FEB-09 1JI9    1       VERSN                                    
REVDAT   1   03-OCT-01 1JI9    0                                                
JRNL        AUTH   G.OZ,K.ZANGGER,I.M.ARMITAGE                                  
JRNL        TITL   THREE-DIMENSIONAL STRUCTURE AND DYNAMICS OF A BRAIN SPECIFIC 
JRNL        TITL 2 GROWTH INHIBITORY FACTOR: METALLOTHIONEIN-3.                 
JRNL        REF    BIOCHEMISTRY                  V.  40 11433 2001              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   11560491                                                     
JRNL        DOI    10.1021/BI010827L                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.851, X-PLOR 3.851                           
REMARK   3   AUTHORS     : BRUNGER (X-PLOR), BRUNGER (X-PLOR)                   
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  A TOTAL OF 377 NOE-DERIVED DISTANCE CONSTRAINTS                     
REMARK   3  AND 16 CADMIUM-TO-CYSTEINE CONNECTIVITIES                           
REMARK   3  WERE USED IN THE STRUCTURE CALCULATIONS.                            
REMARK   4                                                                      
REMARK   4 1JI9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JUL-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000013803.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 283; 303                           
REMARK 210  PH                             : 6.5; 6.5                           
REMARK 210  IONIC STRENGTH                 : 20MM TRIS-HCL; 20MM TRIS-HCL       
REMARK 210  PRESSURE                       : 1 ATM; 1 ATM                       
REMARK 210  SAMPLE CONTENTS                : 1.6 MM MOUSE METALLOTHIONEIN-3     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; 2D TOCSY; 1H-113CD       
REMARK 210                                   HMQC                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : UNITY INOVA                        
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : HYBRID DISTANCE GEOMETRY           
REMARK 210                                   -DYNAMICAL SIMULATED ANNEALING     
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : MINIMIZED AVERAGE STRUCTURE        
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR TECHNIQUES AND 2D 1H-113CD HMQC SPECTROSCOPY.           
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: 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   O    GLU A    55     HZ3  LYS A    58              1.45            
REMARK 500   HG   CYS A    51    CD     CD A    69              1.55            
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    ALA A  46   N   -  CA  -  CB  ANGL. DEV. =  -8.6 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    CYS A  34       26.23     35.46                                   
REMARK 500    CYS A  42      107.49    -48.95                                   
REMARK 500    ASP A  48       41.43    178.51                                   
REMARK 500    CYS A  49       88.05     55.02                                   
REMARK 500    GLU A  54       45.94    -86.36                                   
REMARK 500    GLU A  55      -99.25    -94.81                                   
REMARK 500    ALA A  57       40.09    -88.19                                   
REMARK 500    LYS A  58      132.69    -38.74                                   
REMARK 500    ALA A  61      -25.93    -38.54                                   
REMARK 500    GLU A  62      -21.06     89.79                                   
REMARK 500    CYS A  64     -165.93   -118.51                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A  70  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  34   O                                                      
REMARK 620 2 CYS A  34   SG   65.3                                              
REMARK 620 3 CYS A  35   SG   58.0 110.0                                        
REMARK 620 4 CYS A  45   SG  169.2 107.7 120.6                                  
REMARK 620 5 CYS A  49   SG   83.2 109.4 101.3 107.3                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A  72  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  35   SG                                                     
REMARK 620 2 CYS A  37   SG  100.9                                              
REMARK 620 3 CYS A  38   SG  110.1 107.0                                        
REMARK 620 4 CYS A  51   SG  106.8 122.2 109.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A  71  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  38   SG                                                     
REMARK 620 2 CYS A  42   SG   96.5                                              
REMARK 620 3 CYS A  45   SG  117.5 114.1                                        
REMARK 620 4 CYS A  67   SG  109.8  99.1 116.6                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CD A  69  CD                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  51   SG                                                     
REMARK 620 2 CYS A  64   SG  113.4                                              
REMARK 620 3 CYS A  66   SG  108.7 106.2                                        
REMARK 620 4 CYS A  67   SG  102.2 110.2 116.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 69                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 70                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 71                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 72                   
DBREF  1JI9 A   32    68  UNP    P28184   MT3_MOUSE        1     37             
SEQRES   1 A   37  LYS SER CYS CYS SER CYS CYS PRO ALA GLY CYS GLU LYS          
SEQRES   2 A   37  CYS ALA LYS ASP CYS VAL CYS LYS GLY GLU GLU GLY ALA          
SEQRES   3 A   37  LYS ALA GLU ALA GLU LYS CYS SER CYS CYS GLN                  
HET     CD  A  69       1                                                       
HET     CD  A  70       1                                                       
HET     CD  A  71       1                                                       
HET     CD  A  72       1                                                       
HETNAM      CD CADMIUM ION                                                      
FORMUL   2   CD    4(CD 2+)                                                     
LINK         O   CYS A  34                CD    CD A  70     1555   1555  2.90  
LINK         SG  CYS A  34                CD    CD A  70     1555   1555  2.52  
LINK         SG  CYS A  35                CD    CD A  70     1555   1555  2.51  
LINK         SG  CYS A  35                CD    CD A  72     1555   1555  2.49  
LINK         SG  CYS A  37                CD    CD A  72     1555   1555  2.51  
LINK         SG  CYS A  38                CD    CD A  71     1555   1555  2.49  
LINK         SG  CYS A  38                CD    CD A  72     1555   1555  2.50  
LINK         SG  CYS A  42                CD    CD A  71     1555   1555  2.50  
LINK         SG  CYS A  45                CD    CD A  70     1555   1555  2.52  
LINK         SG  CYS A  45                CD    CD A  71     1555   1555  2.53  
LINK         SG  CYS A  49                CD    CD A  70     1555   1555  2.51  
LINK         SG  CYS A  51                CD    CD A  69     1555   1555  2.51  
LINK         SG  CYS A  51                CD    CD A  72     1555   1555  2.51  
LINK         SG  CYS A  64                CD    CD A  69     1555   1555  2.51  
LINK         SG  CYS A  66                CD    CD A  69     1555   1555  2.51  
LINK         SG  CYS A  67                CD    CD A  69     1555   1555  2.51  
LINK         SG  CYS A  67                CD    CD A  71     1555   1555  2.51  
SITE     1 AC1  6 CYS A  51  CYS A  64  CYS A  66  CYS A  67                    
SITE     2 AC1  6  CD A  71   CD A  72                                          
SITE     1 AC2  4 CYS A  34  CYS A  35  CYS A  45  CYS A  49                    
SITE     1 AC3  7 CYS A  38  CYS A  42  CYS A  45  CYS A  51                    
SITE     2 AC3  7 CYS A  67   CD A  69   CD A  72                               
SITE     1 AC4  7 CYS A  35  CYS A  37  CYS A  38  CYS A  51                    
SITE     2 AC4  7 CYS A  64   CD A  69   CD A  71                               
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   LYS A  32      -7.367   1.994   8.166  1.00  1.94           N  
ATOM      2  CA  LYS A  32      -6.337   3.073   8.213  1.00  1.49           C  
ATOM      3  C   LYS A  32      -5.594   3.158   6.877  1.00  1.14           C  
ATOM      4  O   LYS A  32      -5.627   2.242   6.079  1.00  1.67           O  
ATOM      5  CB  LYS A  32      -5.379   2.656   9.329  1.00  2.02           C  
ATOM      6  CG  LYS A  32      -5.943   3.101  10.680  1.00  2.50           C  
ATOM      7  CD  LYS A  32      -4.818   3.695  11.530  1.00  3.06           C  
ATOM      8  CE  LYS A  32      -4.744   5.205  11.295  1.00  3.65           C  
ATOM      9  NZ  LYS A  32      -3.381   5.441  10.744  1.00  4.54           N  
ATOM     10  H1  LYS A  32      -7.980   2.062   9.003  1.00  2.21           H  
ATOM     11  H2  LYS A  32      -6.896   1.067   8.154  1.00  2.57           H  
ATOM     12  H3  LYS A  32      -7.944   2.102   7.307  1.00  2.11           H  
ATOM     13  HA  LYS A  32      -6.793   4.021   8.454  1.00  1.84           H  
ATOM     14  HB2 LYS A  32      -5.265   1.582   9.321  1.00  2.59           H  
ATOM     15  HB3 LYS A  32      -4.418   3.122   9.171  1.00  2.40           H  
ATOM     16  HG2 LYS A  32      -6.709   3.845  10.522  1.00  2.78           H  
ATOM     17  HG3 LYS A  32      -6.366   2.250  11.192  1.00  2.96           H  
ATOM     18  HD2 LYS A  32      -5.016   3.501  12.574  1.00  3.41           H  
ATOM     19  HD3 LYS A  32      -3.879   3.243  11.251  1.00  3.25           H  
ATOM     20  HE2 LYS A  32      -5.499   5.512  10.584  1.00  3.71           H  
ATOM     21  HE3 LYS A  32      -4.863   5.738  12.226  1.00  3.89           H  
ATOM     22  HZ1 LYS A  32      -2.670   5.090  11.416  1.00  5.03           H  
ATOM     23  HZ2 LYS A  32      -3.241   6.460  10.590  1.00  4.70           H  
ATOM     24  HZ3 LYS A  32      -3.279   4.936   9.841  1.00  4.89           H  
ATOM     25  N   SER A  33      -4.921   4.249   6.628  1.00  1.05           N  
ATOM     26  CA  SER A  33      -4.174   4.387   5.344  1.00  0.88           C  
ATOM     27  C   SER A  33      -3.225   3.205   5.162  1.00  0.95           C  
ATOM     28  O   SER A  33      -2.796   2.901   4.068  1.00  1.93           O  
ATOM     29  CB  SER A  33      -3.389   5.690   5.482  1.00  0.94           C  
ATOM     30  OG  SER A  33      -4.255   6.790   5.235  1.00  1.68           O  
ATOM     31  H   SER A  33      -4.906   4.975   7.286  1.00  1.62           H  
ATOM     32  HA  SER A  33      -4.855   4.451   4.519  1.00  1.14           H  
ATOM     33  HB2 SER A  33      -2.992   5.770   6.480  1.00  1.18           H  
ATOM     34  HB3 SER A  33      -2.573   5.694   4.771  1.00  1.65           H  
ATOM     35  HG  SER A  33      -3.973   7.520   5.790  1.00  2.05           H  
ATOM     36  N   CYS A  34      -2.909   2.545   6.237  1.00  0.52           N  
ATOM     37  CA  CYS A  34      -1.990   1.363   6.183  1.00  0.56           C  
ATOM     38  C   CYS A  34      -0.896   1.543   5.137  1.00  0.46           C  
ATOM     39  O   CYS A  34      -0.408   0.570   4.611  1.00  0.50           O  
ATOM     40  CB  CYS A  34      -2.876   0.170   5.784  1.00  0.84           C  
ATOM     41  SG  CYS A  34      -3.266   0.229   4.002  1.00  0.62           S  
ATOM     42  H   CYS A  34      -3.287   2.827   7.094  1.00  1.14           H  
ATOM     43  HA  CYS A  34      -1.556   1.182   7.153  1.00  0.68           H  
ATOM     44  HB2 CYS A  34      -2.356  -0.750   6.003  1.00  1.49           H  
ATOM     45  HB3 CYS A  34      -3.795   0.203   6.351  1.00  1.44           H  
ATOM     46  HG  CYS A  34      -4.151   0.589   3.903  1.00  1.12           H  
ATOM     47  N   CYS A  35      -0.515   2.748   4.796  1.00  0.45           N  
ATOM     48  CA  CYS A  35       0.523   2.876   3.733  1.00  0.46           C  
ATOM     49  C   CYS A  35       0.958   4.309   3.470  1.00  0.42           C  
ATOM     50  O   CYS A  35       0.250   5.264   3.722  1.00  0.72           O  
ATOM     51  CB  CYS A  35      -0.191   2.377   2.489  1.00  0.77           C  
ATOM     52  SG  CYS A  35       0.351   0.713   2.081  1.00  0.63           S  
ATOM     53  H   CYS A  35      -0.921   3.541   5.203  1.00  0.54           H  
ATOM     54  HA  CYS A  35       1.375   2.254   3.926  1.00  0.57           H  
ATOM     55  HB2 CYS A  35      -1.256   2.372   2.664  1.00  1.50           H  
ATOM     56  HB3 CYS A  35       0.032   3.034   1.665  1.00  1.49           H  
ATOM     57  HG  CYS A  35      -0.175   0.403   1.340  1.00  1.26           H  
ATOM     58  N   SER A  36       2.103   4.426   2.870  1.00  0.43           N  
ATOM     59  CA  SER A  36       2.622   5.745   2.454  1.00  0.43           C  
ATOM     60  C   SER A  36       2.357   5.861   0.951  1.00  0.38           C  
ATOM     61  O   SER A  36       2.430   6.923   0.365  1.00  0.46           O  
ATOM     62  CB  SER A  36       4.119   5.699   2.742  1.00  0.56           C  
ATOM     63  OG  SER A  36       4.403   6.485   3.893  1.00  0.88           O  
ATOM     64  H   SER A  36       2.603   3.619   2.631  1.00  0.71           H  
ATOM     65  HA  SER A  36       2.146   6.544   3.001  1.00  0.46           H  
ATOM     66  HB2 SER A  36       4.417   4.680   2.924  1.00  0.79           H  
ATOM     67  HB3 SER A  36       4.657   6.083   1.887  1.00  0.63           H  
ATOM     68  HG  SER A  36       3.913   6.118   4.632  1.00  1.33           H  
ATOM     69  N   CYS A  37       2.014   4.748   0.334  1.00  0.33           N  
ATOM     70  CA  CYS A  37       1.700   4.759  -1.131  1.00  0.31           C  
ATOM     71  C   CYS A  37       0.193   4.624  -1.350  1.00  0.25           C  
ATOM     72  O   CYS A  37      -0.295   4.625  -2.464  1.00  0.26           O  
ATOM     73  CB  CYS A  37       2.453   3.592  -1.777  1.00  0.36           C  
ATOM     74  SG  CYS A  37       2.637   2.155  -0.676  1.00  0.40           S  
ATOM     75  H   CYS A  37       1.938   3.913   0.851  1.00  0.35           H  
ATOM     76  HA  CYS A  37       2.039   5.670  -1.575  1.00  0.33           H  
ATOM     77  HB2 CYS A  37       1.916   3.291  -2.651  1.00  0.35           H  
ATOM     78  HB3 CYS A  37       3.430   3.945  -2.063  1.00  0.41           H  
ATOM     79  HG  CYS A  37       2.060   1.459  -0.999  1.00  0.89           H  
ATOM     80  N   CYS A  38      -0.535   4.493  -0.286  1.00  0.24           N  
ATOM     81  CA  CYS A  38      -1.999   4.338  -0.365  1.00  0.22           C  
ATOM     82  C   CYS A  38      -2.703   5.103   0.750  1.00  0.23           C  
ATOM     83  O   CYS A  38      -2.134   5.350   1.795  1.00  0.27           O  
ATOM     84  CB  CYS A  38      -2.181   2.865  -0.145  1.00  0.24           C  
ATOM     85  SG  CYS A  38      -1.314   1.969  -1.439  1.00  0.32           S  
ATOM     86  H   CYS A  38      -0.115   4.471   0.570  1.00  0.27           H  
ATOM     87  HA  CYS A  38      -2.374   4.616  -1.322  1.00  0.29           H  
ATOM     88  HB2 CYS A  38      -1.766   2.601   0.816  1.00  0.26           H  
ATOM     89  HB3 CYS A  38      -3.226   2.624  -0.171  1.00  0.27           H  
ATOM     90  HG  CYS A  38      -1.159   1.073  -1.128  1.00  0.90           H  
ATOM     91  N   PRO A  39      -3.939   5.419   0.495  1.00  0.27           N  
ATOM     92  CA  PRO A  39      -4.768   6.120   1.480  1.00  0.35           C  
ATOM     93  C   PRO A  39      -5.518   5.077   2.310  1.00  0.31           C  
ATOM     94  O   PRO A  39      -5.275   3.893   2.189  1.00  0.27           O  
ATOM     95  CB  PRO A  39      -5.731   6.921   0.609  1.00  0.42           C  
ATOM     96  CG  PRO A  39      -5.807   6.181  -0.701  1.00  0.40           C  
ATOM     97  CD  PRO A  39      -4.687   5.163  -0.734  1.00  0.31           C  
ATOM     98  HA  PRO A  39      -4.178   6.774   2.102  1.00  0.43           H  
ATOM     99  HB2 PRO A  39      -6.707   6.964   1.074  1.00  0.44           H  
ATOM    100  HB3 PRO A  39      -5.349   7.917   0.445  1.00  0.52           H  
ATOM    101  HG2 PRO A  39      -6.761   5.679  -0.781  1.00  0.40           H  
ATOM    102  HG3 PRO A  39      -5.689   6.873  -1.520  1.00  0.50           H  
ATOM    103  HD2 PRO A  39      -5.091   4.162  -0.732  1.00  0.30           H  
ATOM    104  HD3 PRO A  39      -4.058   5.316  -1.595  1.00  0.32           H  
ATOM    105  N   ALA A  40      -6.430   5.489   3.135  1.00  0.42           N  
ATOM    106  CA  ALA A  40      -7.188   4.492   3.941  1.00  0.46           C  
ATOM    107  C   ALA A  40      -8.341   3.924   3.115  1.00  0.39           C  
ATOM    108  O   ALA A  40      -9.141   3.146   3.595  1.00  0.45           O  
ATOM    109  CB  ALA A  40      -7.726   5.278   5.126  1.00  0.61           C  
ATOM    110  H   ALA A  40      -6.626   6.445   3.218  1.00  0.50           H  
ATOM    111  HA  ALA A  40      -6.538   3.702   4.282  1.00  0.50           H  
ATOM    112  HB1 ALA A  40      -7.177   6.203   5.219  1.00  1.24           H  
ATOM    113  HB2 ALA A  40      -7.608   4.693   6.025  1.00  1.30           H  
ATOM    114  HB3 ALA A  40      -8.771   5.492   4.966  1.00  1.06           H  
ATOM    115  N   GLY A  41      -8.439   4.321   1.878  1.00  0.33           N  
ATOM    116  CA  GLY A  41      -9.548   3.820   1.021  1.00  0.36           C  
ATOM    117  C   GLY A  41      -9.024   2.822  -0.018  1.00  0.33           C  
ATOM    118  O   GLY A  41      -9.796   2.187  -0.709  1.00  0.37           O  
ATOM    119  H   GLY A  41      -7.790   4.959   1.520  1.00  0.32           H  
ATOM    120  HA2 GLY A  41     -10.286   3.334   1.643  1.00  0.42           H  
ATOM    121  HA3 GLY A  41     -10.007   4.654   0.510  1.00  0.42           H  
ATOM    122  N   CYS A  42      -7.731   2.666  -0.149  1.00  0.28           N  
ATOM    123  CA  CYS A  42      -7.213   1.711  -1.146  1.00  0.29           C  
ATOM    124  C   CYS A  42      -7.920   0.374  -1.018  1.00  0.28           C  
ATOM    125  O   CYS A  42      -7.676  -0.378  -0.096  1.00  0.27           O  
ATOM    126  CB  CYS A  42      -5.748   1.538  -0.798  1.00  0.27           C  
ATOM    127  SG  CYS A  42      -4.843   1.122  -2.293  1.00  0.33           S  
ATOM    128  H   CYS A  42      -7.102   3.170   0.397  1.00  0.27           H  
ATOM    129  HA  CYS A  42      -7.313   2.108  -2.141  1.00  0.33           H  
ATOM    130  HB2 CYS A  42      -5.361   2.447  -0.379  1.00  0.27           H  
ATOM    131  HB3 CYS A  42      -5.644   0.741  -0.085  1.00  0.24           H  
ATOM    132  HG  CYS A  42      -3.906   1.143  -2.088  1.00  0.91           H  
ATOM    133  N   GLU A  43      -8.771   0.048  -1.938  1.00  0.36           N  
ATOM    134  CA  GLU A  43      -9.445  -1.263  -1.846  1.00  0.38           C  
ATOM    135  C   GLU A  43      -8.465  -2.348  -2.255  1.00  0.35           C  
ATOM    136  O   GLU A  43      -8.705  -3.529  -2.104  1.00  0.37           O  
ATOM    137  CB  GLU A  43     -10.613  -1.184  -2.813  1.00  0.46           C  
ATOM    138  CG  GLU A  43     -11.884  -0.799  -2.055  1.00  0.51           C  
ATOM    139  CD  GLU A  43     -13.047  -1.668  -2.535  1.00  0.86           C  
ATOM    140  OE1 GLU A  43     -13.035  -2.049  -3.694  1.00  1.47           O  
ATOM    141  OE2 GLU A  43     -13.928  -1.937  -1.736  1.00  1.54           O  
ATOM    142  H   GLU A  43      -8.947   0.649  -2.691  1.00  0.43           H  
ATOM    143  HA  GLU A  43      -9.772  -1.428  -0.841  1.00  0.37           H  
ATOM    144  HB2 GLU A  43     -10.396  -0.438  -3.565  1.00  0.48           H  
ATOM    145  HB3 GLU A  43     -10.749  -2.143  -3.286  1.00  0.48           H  
ATOM    146  HG2 GLU A  43     -11.730  -0.951  -0.996  1.00  0.58           H  
ATOM    147  HG3 GLU A  43     -12.112   0.240  -2.240  1.00  0.78           H  
ATOM    148  N   LYS A  44      -7.336  -1.935  -2.715  1.00  0.32           N  
ATOM    149  CA  LYS A  44      -6.279  -2.893  -3.077  1.00  0.32           C  
ATOM    150  C   LYS A  44      -5.704  -3.412  -1.792  1.00  0.27           C  
ATOM    151  O   LYS A  44      -5.167  -4.490  -1.696  1.00  0.29           O  
ATOM    152  CB  LYS A  44      -5.232  -2.033  -3.749  1.00  0.35           C  
ATOM    153  CG  LYS A  44      -5.738  -1.564  -5.102  1.00  0.42           C  
ATOM    154  CD  LYS A  44      -6.187  -2.773  -5.901  1.00  0.60           C  
ATOM    155  CE  LYS A  44      -5.028  -3.763  -6.046  1.00  0.97           C  
ATOM    156  NZ  LYS A  44      -5.650  -5.001  -6.591  1.00  1.21           N  
ATOM    157  H   LYS A  44      -7.158  -0.977  -2.773  1.00  0.31           H  
ATOM    158  HA  LYS A  44      -6.630  -3.677  -3.714  1.00  0.36           H  
ATOM    159  HB2 LYS A  44      -5.038  -1.179  -3.119  1.00  0.54           H  
ATOM    160  HB3 LYS A  44      -4.330  -2.601  -3.870  1.00  0.42           H  
ATOM    161  HG2 LYS A  44      -6.569  -0.890  -4.963  1.00  0.63           H  
ATOM    162  HG3 LYS A  44      -4.955  -1.057  -5.630  1.00  0.41           H  
ATOM    163  HD2 LYS A  44      -7.005  -3.250  -5.386  1.00  1.27           H  
ATOM    164  HD3 LYS A  44      -6.506  -2.452  -6.871  1.00  1.45           H  
ATOM    165  HE2 LYS A  44      -4.288  -3.377  -6.733  1.00  1.70           H  
ATOM    166  HE3 LYS A  44      -4.582  -3.968  -5.086  1.00  1.66           H  
ATOM    167  HZ1 LYS A  44      -6.401  -4.745  -7.262  1.00  1.51           H  
ATOM    168  HZ2 LYS A  44      -6.055  -5.558  -5.811  1.00  1.44           H  
ATOM    169  HZ3 LYS A  44      -4.928  -5.565  -7.082  1.00  1.78           H  
ATOM    170  N   CYS A  45      -5.827  -2.603  -0.807  1.00  0.23           N  
ATOM    171  CA  CYS A  45      -5.293  -2.948   0.528  1.00  0.22           C  
ATOM    172  C   CYS A  45      -6.435  -3.321   1.444  1.00  0.23           C  
ATOM    173  O   CYS A  45      -6.258  -3.723   2.577  1.00  0.27           O  
ATOM    174  CB  CYS A  45      -4.656  -1.654   0.979  1.00  0.22           C  
ATOM    175  SG  CYS A  45      -2.956  -1.569   0.360  1.00  0.29           S  
ATOM    176  H   CYS A  45      -6.291  -1.735  -0.952  1.00  0.24           H  
ATOM    177  HA  CYS A  45      -4.565  -3.735   0.465  1.00  0.25           H  
ATOM    178  HB2 CYS A  45      -5.230  -0.831   0.583  1.00  0.21           H  
ATOM    179  HB3 CYS A  45      -4.661  -1.608   2.054  1.00  0.23           H  
ATOM    180  HG  CYS A  45      -2.731  -2.428  -0.005  1.00  0.73           H  
ATOM    181  N   ALA A  46      -7.608  -3.168   0.942  1.00  0.25           N  
ATOM    182  CA  ALA A  46      -8.814  -3.474   1.716  1.00  0.30           C  
ATOM    183  C   ALA A  46      -8.900  -4.968   2.034  1.00  0.29           C  
ATOM    184  O   ALA A  46      -9.761  -5.407   2.771  1.00  0.34           O  
ATOM    185  CB  ALA A  46      -9.901  -3.039   0.763  1.00  0.36           C  
ATOM    186  H   ALA A  46      -7.704  -2.831   0.030  1.00  0.27           H  
ATOM    187  HA  ALA A  46      -8.847  -2.886   2.609  1.00  0.34           H  
ATOM    188  HB1 ALA A  46      -9.554  -3.192  -0.251  1.00  1.04           H  
ATOM    189  HB2 ALA A  46     -10.102  -1.988   0.912  1.00  1.08           H  
ATOM    190  HB3 ALA A  46     -10.787  -3.615   0.932  1.00  1.08           H  
ATOM    191  N   LYS A  47      -8.011  -5.749   1.492  1.00  0.28           N  
ATOM    192  CA  LYS A  47      -8.031  -7.201   1.764  1.00  0.34           C  
ATOM    193  C   LYS A  47      -7.010  -7.533   2.837  1.00  0.37           C  
ATOM    194  O   LYS A  47      -7.263  -8.283   3.759  1.00  0.43           O  
ATOM    195  CB  LYS A  47      -7.651  -7.861   0.440  1.00  0.41           C  
ATOM    196  CG  LYS A  47      -8.488  -9.125   0.238  1.00  0.73           C  
ATOM    197  CD  LYS A  47      -7.953 -10.239   1.139  1.00  1.54           C  
ATOM    198  CE  LYS A  47      -8.895 -11.442   1.080  1.00  2.16           C  
ATOM    199  NZ  LYS A  47     -10.076 -11.045   1.895  1.00  2.74           N  
ATOM    200  H   LYS A  47      -7.330  -5.382   0.913  1.00  0.27           H  
ATOM    201  HA  LYS A  47      -8.997  -7.498   2.063  1.00  0.37           H  
ATOM    202  HB2 LYS A  47      -7.834  -7.170  -0.370  1.00  0.42           H  
ATOM    203  HB3 LYS A  47      -6.604  -8.124   0.460  1.00  0.57           H  
ATOM    204  HG2 LYS A  47      -9.518  -8.918   0.491  1.00  1.09           H  
ATOM    205  HG3 LYS A  47      -8.426  -9.437  -0.794  1.00  1.30           H  
ATOM    206  HD2 LYS A  47      -6.969 -10.533   0.802  1.00  2.03           H  
ATOM    207  HD3 LYS A  47      -7.893  -9.881   2.156  1.00  1.98           H  
ATOM    208  HE2 LYS A  47      -9.188 -11.640   0.058  1.00  2.51           H  
ATOM    209  HE3 LYS A  47      -8.423 -12.311   1.512  1.00  2.51           H  
ATOM    210  HZ1 LYS A  47      -9.779 -10.880   2.878  1.00  3.08           H  
ATOM    211  HZ2 LYS A  47     -10.786 -11.805   1.869  1.00  2.76           H  
ATOM    212  HZ3 LYS A  47     -10.487 -10.172   1.508  1.00  3.39           H  
ATOM    213  N   ASP A  48      -5.861  -6.962   2.712  1.00  0.36           N  
ATOM    214  CA  ASP A  48      -4.783  -7.199   3.698  1.00  0.44           C  
ATOM    215  C   ASP A  48      -3.541  -6.429   3.276  1.00  0.43           C  
ATOM    216  O   ASP A  48      -2.430  -6.917   3.352  1.00  0.51           O  
ATOM    217  CB  ASP A  48      -4.533  -8.704   3.663  1.00  0.53           C  
ATOM    218  CG  ASP A  48      -3.338  -9.046   4.555  1.00  0.65           C  
ATOM    219  OD1 ASP A  48      -2.907  -8.176   5.294  1.00  1.27           O  
ATOM    220  OD2 ASP A  48      -2.873 -10.172   4.484  1.00  1.29           O  
ATOM    221  H   ASP A  48      -5.709  -6.364   1.961  1.00  0.33           H  
ATOM    222  HA  ASP A  48      -5.101  -6.890   4.673  1.00  0.47           H  
ATOM    223  HB2 ASP A  48      -5.411  -9.222   4.019  1.00  0.56           H  
ATOM    224  HB3 ASP A  48      -4.322  -9.007   2.648  1.00  0.64           H  
ATOM    225  N   CYS A  49      -3.729  -5.227   2.823  1.00  0.36           N  
ATOM    226  CA  CYS A  49      -2.562  -4.411   2.379  1.00  0.36           C  
ATOM    227  C   CYS A  49      -1.774  -5.190   1.325  1.00  0.39           C  
ATOM    228  O   CYS A  49      -0.857  -5.926   1.632  1.00  0.45           O  
ATOM    229  CB  CYS A  49      -1.732  -4.197   3.644  1.00  0.42           C  
ATOM    230  SG  CYS A  49      -0.581  -2.822   3.397  1.00  0.47           S  
ATOM    231  H   CYS A  49      -4.643  -4.867   2.768  1.00  0.33           H  
ATOM    232  HA  CYS A  49      -2.887  -3.465   1.981  1.00  0.32           H  
ATOM    233  HB2 CYS A  49      -2.390  -3.969   4.470  1.00  0.42           H  
ATOM    234  HB3 CYS A  49      -1.178  -5.096   3.864  1.00  0.48           H  
ATOM    235  HG  CYS A  49      -0.128  -2.960   2.561  1.00  1.02           H  
ATOM    236  N   VAL A  50      -2.147  -5.045   0.085  1.00  0.42           N  
ATOM    237  CA  VAL A  50      -1.456  -5.782  -1.003  1.00  0.47           C  
ATOM    238  C   VAL A  50       0.038  -5.453  -1.029  1.00  0.48           C  
ATOM    239  O   VAL A  50       0.836  -6.216  -1.537  1.00  0.48           O  
ATOM    240  CB  VAL A  50      -2.137  -5.335  -2.301  1.00  0.51           C  
ATOM    241  CG1 VAL A  50      -3.438  -6.113  -2.495  1.00  0.53           C  
ATOM    242  CG2 VAL A  50      -2.450  -3.833  -2.279  1.00  0.45           C  
ATOM    243  H   VAL A  50      -2.894  -4.463  -0.127  1.00  0.45           H  
ATOM    244  HA  VAL A  50      -1.595  -6.843  -0.872  1.00  0.51           H  
ATOM    245  HB  VAL A  50      -1.482  -5.544  -3.120  1.00  0.58           H  
ATOM    246 HG11 VAL A  50      -3.923  -6.245  -1.539  1.00  1.26           H  
ATOM    247 HG12 VAL A  50      -3.222  -7.077  -2.927  1.00  1.07           H  
ATOM    248 HG13 VAL A  50      -4.091  -5.559  -3.155  1.00  1.03           H  
ATOM    249 HG21 VAL A  50      -2.711  -3.520  -3.276  1.00  1.02           H  
ATOM    250 HG22 VAL A  50      -1.583  -3.283  -1.943  1.00  0.96           H  
ATOM    251 HG23 VAL A  50      -3.279  -3.637  -1.618  1.00  1.01           H  
ATOM    252  N   CYS A  51       0.434  -4.339  -0.480  1.00  0.49           N  
ATOM    253  CA  CYS A  51       1.892  -4.012  -0.482  1.00  0.52           C  
ATOM    254  C   CYS A  51       2.505  -4.314   0.888  1.00  0.70           C  
ATOM    255  O   CYS A  51       3.611  -3.908   1.182  1.00  1.07           O  
ATOM    256  CB  CYS A  51       2.085  -2.513  -0.825  1.00  0.62           C  
ATOM    257  SG  CYS A  51       0.519  -1.666  -1.149  1.00  0.70           S  
ATOM    258  H   CYS A  51      -0.212  -3.743  -0.065  1.00  0.49           H  
ATOM    259  HA  CYS A  51       2.372  -4.609  -1.227  1.00  0.65           H  
ATOM    260  HB2 CYS A  51       2.575  -2.026   0.003  1.00  1.12           H  
ATOM    261  HB3 CYS A  51       2.716  -2.435  -1.698  1.00  1.16           H  
ATOM    262  HG  CYS A  51       0.499  -1.422  -2.077  1.00  1.27           H  
ATOM    263  N   LYS A  52       1.802  -5.025   1.727  1.00  0.61           N  
ATOM    264  CA  LYS A  52       2.353  -5.352   3.071  1.00  0.92           C  
ATOM    265  C   LYS A  52       3.822  -5.744   2.969  1.00  0.94           C  
ATOM    266  O   LYS A  52       4.613  -5.491   3.855  1.00  1.19           O  
ATOM    267  CB  LYS A  52       1.519  -6.534   3.551  1.00  1.23           C  
ATOM    268  CG  LYS A  52       0.714  -6.111   4.773  1.00  1.55           C  
ATOM    269  CD  LYS A  52       1.529  -6.401   6.033  1.00  1.61           C  
ATOM    270  CE  LYS A  52       0.767  -5.908   7.265  1.00  2.01           C  
ATOM    271  NZ  LYS A  52       1.805  -5.753   8.322  1.00  2.20           N  
ATOM    272  H   LYS A  52       0.910  -5.346   1.476  1.00  0.47           H  
ATOM    273  HA  LYS A  52       2.235  -4.524   3.735  1.00  1.06           H  
ATOM    274  HB2 LYS A  52       0.847  -6.845   2.765  1.00  1.28           H  
ATOM    275  HB3 LYS A  52       2.171  -7.352   3.817  1.00  1.30           H  
ATOM    276  HG2 LYS A  52       0.502  -5.053   4.711  1.00  1.63           H  
ATOM    277  HG3 LYS A  52      -0.210  -6.665   4.803  1.00  1.77           H  
ATOM    278  HD2 LYS A  52       1.697  -7.466   6.113  1.00  1.51           H  
ATOM    279  HD3 LYS A  52       2.479  -5.891   5.971  1.00  1.71           H  
ATOM    280  HE2 LYS A  52       0.293  -4.959   7.057  1.00  2.38           H  
ATOM    281  HE3 LYS A  52       0.034  -6.638   7.571  1.00  2.33           H  
ATOM    282  HZ1 LYS A  52       1.440  -5.145   9.081  1.00  2.43           H  
ATOM    283  HZ2 LYS A  52       2.657  -5.320   7.910  1.00  2.63           H  
ATOM    284  HZ3 LYS A  52       2.045  -6.686   8.713  1.00  2.45           H  
ATOM    285  N   GLY A  53       4.183  -6.362   1.893  1.00  0.92           N  
ATOM    286  CA  GLY A  53       5.599  -6.786   1.710  1.00  1.17           C  
ATOM    287  C   GLY A  53       6.516  -5.567   1.801  1.00  0.85           C  
ATOM    288  O   GLY A  53       6.614  -4.784   0.877  1.00  0.85           O  
ATOM    289  H   GLY A  53       3.518  -6.549   1.203  1.00  0.91           H  
ATOM    290  HA2 GLY A  53       5.863  -7.495   2.482  1.00  1.55           H  
ATOM    291  HA3 GLY A  53       5.714  -7.247   0.741  1.00  1.45           H  
ATOM    292  N   GLU A  54       7.193  -5.400   2.904  1.00  1.09           N  
ATOM    293  CA  GLU A  54       8.106  -4.231   3.042  1.00  1.28           C  
ATOM    294  C   GLU A  54       9.477  -4.571   2.464  1.00  1.32           C  
ATOM    295  O   GLU A  54      10.505  -4.301   3.053  1.00  1.73           O  
ATOM    296  CB  GLU A  54       8.194  -3.967   4.543  1.00  1.88           C  
ATOM    297  CG  GLU A  54       7.057  -3.033   4.954  1.00  2.07           C  
ATOM    298  CD  GLU A  54       7.627  -1.826   5.702  1.00  2.62           C  
ATOM    299  OE1 GLU A  54       8.575  -1.239   5.205  1.00  3.05           O  
ATOM    300  OE2 GLU A  54       7.106  -1.509   6.758  1.00  3.17           O  
ATOM    301  H   GLU A  54       7.104  -6.043   3.638  1.00  1.38           H  
ATOM    302  HA  GLU A  54       7.692  -3.374   2.538  1.00  1.24           H  
ATOM    303  HB2 GLU A  54       8.108  -4.901   5.079  1.00  2.04           H  
ATOM    304  HB3 GLU A  54       9.141  -3.503   4.774  1.00  2.14           H  
ATOM    305  HG2 GLU A  54       6.535  -2.695   4.070  1.00  2.33           H  
ATOM    306  HG3 GLU A  54       6.372  -3.563   5.596  1.00  2.14           H  
ATOM    307  N   GLU A  55       9.488  -5.160   1.306  1.00  1.10           N  
ATOM    308  CA  GLU A  55      10.768  -5.529   0.652  1.00  1.37           C  
ATOM    309  C   GLU A  55      11.187  -4.423  -0.319  1.00  1.48           C  
ATOM    310  O   GLU A  55      11.725  -3.408   0.076  1.00  1.73           O  
ATOM    311  CB  GLU A  55      10.436  -6.819  -0.090  1.00  1.49           C  
ATOM    312  CG  GLU A  55      10.019  -7.891   0.915  1.00  1.96           C  
ATOM    313  CD  GLU A  55      11.264  -8.550   1.510  1.00  2.34           C  
ATOM    314  OE1 GLU A  55      12.346  -8.027   1.297  1.00  2.85           O  
ATOM    315  OE2 GLU A  55      11.116  -9.567   2.167  1.00  2.62           O  
ATOM    316  H   GLU A  55       8.644  -5.360   0.857  1.00  0.93           H  
ATOM    317  HA  GLU A  55      11.536  -5.707   1.380  1.00  1.61           H  
ATOM    318  HB2 GLU A  55       9.619  -6.634  -0.773  1.00  1.43           H  
ATOM    319  HB3 GLU A  55      11.299  -7.154  -0.637  1.00  1.80           H  
ATOM    320  HG2 GLU A  55       9.439  -7.435   1.705  1.00  2.15           H  
ATOM    321  HG3 GLU A  55       9.421  -8.637   0.414  1.00  2.18           H  
ATOM    322  N   GLY A  56      10.927  -4.602  -1.582  1.00  1.59           N  
ATOM    323  CA  GLY A  56      11.287  -3.555  -2.574  1.00  1.92           C  
ATOM    324  C   GLY A  56      10.074  -2.653  -2.802  1.00  1.84           C  
ATOM    325  O   GLY A  56      10.145  -1.660  -3.499  1.00  2.18           O  
ATOM    326  H   GLY A  56      10.481  -5.419  -1.877  1.00  1.65           H  
ATOM    327  HA2 GLY A  56      12.111  -2.967  -2.196  1.00  2.04           H  
ATOM    328  HA3 GLY A  56      11.568  -4.018  -3.507  1.00  2.22           H  
ATOM    329  N   ALA A  57       8.955  -2.998  -2.219  1.00  1.44           N  
ATOM    330  CA  ALA A  57       7.731  -2.178  -2.394  1.00  1.44           C  
ATOM    331  C   ALA A  57       7.666  -1.079  -1.344  1.00  0.99           C  
ATOM    332  O   ALA A  57       6.626  -0.772  -0.795  1.00  1.36           O  
ATOM    333  CB  ALA A  57       6.596  -3.151  -2.194  1.00  1.93           C  
ATOM    334  H   ALA A  57       8.918  -3.800  -1.671  1.00  1.20           H  
ATOM    335  HA  ALA A  57       7.702  -1.768  -3.377  1.00  1.68           H  
ATOM    336  HB1 ALA A  57       5.780  -2.644  -1.706  1.00  2.33           H  
ATOM    337  HB2 ALA A  57       6.940  -3.968  -1.577  1.00  2.10           H  
ATOM    338  HB3 ALA A  57       6.277  -3.525  -3.151  1.00  2.22           H  
ATOM    339  N   LYS A  58       8.778  -0.500  -1.072  1.00  0.75           N  
ATOM    340  CA  LYS A  58       8.856   0.587  -0.064  1.00  1.08           C  
ATOM    341  C   LYS A  58       7.629   1.502  -0.148  1.00  0.96           C  
ATOM    342  O   LYS A  58       7.235   1.933  -1.214  1.00  1.04           O  
ATOM    343  CB  LYS A  58      10.121   1.345  -0.443  1.00  1.64           C  
ATOM    344  CG  LYS A  58      11.330   0.633   0.157  1.00  2.03           C  
ATOM    345  CD  LYS A  58      11.768  -0.500  -0.771  1.00  2.73           C  
ATOM    346  CE  LYS A  58      13.289  -0.654  -0.707  1.00  3.43           C  
ATOM    347  NZ  LYS A  58      13.525  -1.716   0.309  1.00  4.07           N  
ATOM    348  H   LYS A  58       9.577  -0.787  -1.537  1.00  0.95           H  
ATOM    349  HA  LYS A  58       8.958   0.177   0.927  1.00  1.41           H  
ATOM    350  HB2 LYS A  58      10.213   1.368  -1.521  1.00  1.68           H  
ATOM    351  HB3 LYS A  58      10.068   2.351  -0.061  1.00  1.97           H  
ATOM    352  HG2 LYS A  58      12.140   1.335   0.274  1.00  1.71           H  
ATOM    353  HG3 LYS A  58      11.063   0.222   1.118  1.00  2.37           H  
ATOM    354  HD2 LYS A  58      11.297  -1.421  -0.458  1.00  3.05           H  
ATOM    355  HD3 LYS A  58      11.472  -0.270  -1.783  1.00  2.83           H  
ATOM    356  HE2 LYS A  58      13.676  -0.957  -1.670  1.00  3.73           H  
ATOM    357  HE3 LYS A  58      13.748   0.270  -0.389  1.00  3.67           H  
ATOM    358  HZ1 LYS A  58      13.441  -1.310   1.262  1.00  4.26           H  
ATOM    359  HZ2 LYS A  58      14.480  -2.111   0.183  1.00  4.59           H  
ATOM    360  HZ3 LYS A  58      12.819  -2.470   0.193  1.00  4.25           H  
ATOM    361  N   ALA A  59       7.028   1.803   0.972  1.00  0.95           N  
ATOM    362  CA  ALA A  59       5.831   2.694   0.962  1.00  0.90           C  
ATOM    363  C   ALA A  59       6.271   4.152   0.986  1.00  0.74           C  
ATOM    364  O   ALA A  59       5.660   5.013   0.385  1.00  0.69           O  
ATOM    365  CB  ALA A  59       5.066   2.345   2.236  1.00  1.11           C  
ATOM    366  H   ALA A  59       7.366   1.446   1.820  1.00  1.07           H  
ATOM    367  HA  ALA A  59       5.228   2.500   0.101  1.00  0.94           H  
ATOM    368  HB1 ALA A  59       5.437   2.946   3.053  1.00  1.57           H  
ATOM    369  HB2 ALA A  59       5.206   1.299   2.464  1.00  1.14           H  
ATOM    370  HB3 ALA A  59       4.016   2.546   2.090  1.00  1.43           H  
ATOM    371  N   GLU A  60       7.340   4.419   1.669  1.00  0.76           N  
ATOM    372  CA  GLU A  60       7.872   5.806   1.747  1.00  0.69           C  
ATOM    373  C   GLU A  60       7.759   6.462   0.392  1.00  0.55           C  
ATOM    374  O   GLU A  60       7.518   7.644   0.257  1.00  0.53           O  
ATOM    375  CB  GLU A  60       9.322   5.612   2.121  1.00  0.83           C  
ATOM    376  CG  GLU A  60       9.988   4.791   1.031  1.00  1.31           C  
ATOM    377  CD  GLU A  60      11.384   4.363   1.485  1.00  1.61           C  
ATOM    378  OE1 GLU A  60      11.474   3.397   2.226  1.00  2.07           O  
ATOM    379  OE2 GLU A  60      12.339   5.009   1.088  1.00  2.00           O  
ATOM    380  H   GLU A  60       7.806   3.695   2.123  1.00  0.87           H  
ATOM    381  HA  GLU A  60       7.361   6.370   2.482  1.00  0.72           H  
ATOM    382  HB2 GLU A  60       9.804   6.569   2.201  1.00  0.87           H  
ATOM    383  HB3 GLU A  60       9.383   5.080   3.054  1.00  1.15           H  
ATOM    384  HG2 GLU A  60       9.384   3.918   0.833  1.00  1.56           H  
ATOM    385  HG3 GLU A  60      10.065   5.389   0.138  1.00  1.50           H  
ATOM    386  N   ALA A  61       7.914   5.667  -0.604  1.00  0.56           N  
ATOM    387  CA  ALA A  61       7.802   6.153  -2.006  1.00  0.55           C  
ATOM    388  C   ALA A  61       6.678   7.183  -2.129  1.00  0.46           C  
ATOM    389  O   ALA A  61       6.683   8.002  -3.021  1.00  0.59           O  
ATOM    390  CB  ALA A  61       7.422   4.911  -2.799  1.00  0.65           C  
ATOM    391  H   ALA A  61       8.098   4.724  -0.420  1.00  0.65           H  
ATOM    392  HA  ALA A  61       8.738   6.550  -2.356  1.00  0.65           H  
ATOM    393  HB1 ALA A  61       8.308   4.347  -3.035  1.00  1.37           H  
ATOM    394  HB2 ALA A  61       6.924   5.208  -3.710  1.00  1.01           H  
ATOM    395  HB3 ALA A  61       6.751   4.303  -2.207  1.00  1.05           H  
ATOM    396  N   GLU A  62       5.707   7.094  -1.243  1.00  0.36           N  
ATOM    397  CA  GLU A  62       4.515   7.994  -1.235  1.00  0.36           C  
ATOM    398  C   GLU A  62       3.420   7.390  -2.088  1.00  0.34           C  
ATOM    399  O   GLU A  62       2.253   7.698  -1.949  1.00  0.36           O  
ATOM    400  CB  GLU A  62       4.963   9.331  -1.779  1.00  0.48           C  
ATOM    401  CG  GLU A  62       6.234   9.787  -1.058  1.00  0.71           C  
ATOM    402  CD  GLU A  62       6.193  11.304  -0.859  1.00  1.16           C  
ATOM    403  OE1 GLU A  62       5.185  11.791  -0.372  1.00  1.68           O  
ATOM    404  OE2 GLU A  62       7.170  11.952  -1.195  1.00  1.89           O  
ATOM    405  H   GLU A  62       5.751   6.401  -0.582  1.00  0.39           H  
ATOM    406  HA  GLU A  62       4.156   8.102  -0.240  1.00  0.37           H  
ATOM    407  HB2 GLU A  62       5.154   9.231  -2.833  1.00  0.64           H  
ATOM    408  HB3 GLU A  62       4.184  10.044  -1.616  1.00  0.66           H  
ATOM    409  HG2 GLU A  62       6.294   9.300  -0.096  1.00  1.21           H  
ATOM    410  HG3 GLU A  62       7.098   9.527  -1.649  1.00  1.02           H  
ATOM    411  N   LYS A  63       3.800   6.523  -2.959  1.00  0.36           N  
ATOM    412  CA  LYS A  63       2.834   5.850  -3.837  1.00  0.36           C  
ATOM    413  C   LYS A  63       3.448   4.549  -4.346  1.00  0.40           C  
ATOM    414  O   LYS A  63       4.651   4.397  -4.398  1.00  0.43           O  
ATOM    415  CB  LYS A  63       2.589   6.845  -4.935  1.00  0.41           C  
ATOM    416  CG  LYS A  63       3.915   7.183  -5.537  1.00  0.47           C  
ATOM    417  CD  LYS A  63       4.281   6.042  -6.461  1.00  0.50           C  
ATOM    418  CE  LYS A  63       4.685   6.580  -7.836  1.00  0.57           C  
ATOM    419  NZ  LYS A  63       6.021   5.979  -8.108  1.00  1.16           N  
ATOM    420  H   LYS A  63       4.740   6.312  -3.045  1.00  0.40           H  
ATOM    421  HA  LYS A  63       1.940   5.658  -3.343  1.00  0.34           H  
ATOM    422  HB2 LYS A  63       1.943   6.409  -5.681  1.00  0.43           H  
ATOM    423  HB3 LYS A  63       2.140   7.734  -4.524  1.00  0.41           H  
ATOM    424  HG2 LYS A  63       3.840   8.106  -6.073  1.00  0.51           H  
ATOM    425  HG3 LYS A  63       4.652   7.263  -4.750  1.00  0.46           H  
ATOM    426  HD2 LYS A  63       5.094   5.490  -6.021  1.00  0.51           H  
ATOM    427  HD3 LYS A  63       3.417   5.390  -6.557  1.00  0.49           H  
ATOM    428  HE2 LYS A  63       3.970   6.268  -8.585  1.00  1.03           H  
ATOM    429  HE3 LYS A  63       4.761   7.655  -7.811  1.00  1.21           H  
ATOM    430  HZ1 LYS A  63       6.243   6.070  -9.119  1.00  1.71           H  
ATOM    431  HZ2 LYS A  63       6.008   4.972  -7.843  1.00  1.81           H  
ATOM    432  HZ3 LYS A  63       6.745   6.475  -7.551  1.00  1.62           H  
ATOM    433  N   CYS A  64       2.640   3.609  -4.704  1.00  0.40           N  
ATOM    434  CA  CYS A  64       3.198   2.314  -5.207  1.00  0.45           C  
ATOM    435  C   CYS A  64       2.769   2.044  -6.649  1.00  0.49           C  
ATOM    436  O   CYS A  64       2.299   2.920  -7.347  1.00  0.54           O  
ATOM    437  CB  CYS A  64       2.673   1.212  -4.289  1.00  0.42           C  
ATOM    438  SG  CYS A  64       0.910   1.429  -3.951  1.00  0.57           S  
ATOM    439  H   CYS A  64       1.680   3.754  -4.635  1.00  0.38           H  
ATOM    440  HA  CYS A  64       4.275   2.339  -5.151  1.00  0.49           H  
ATOM    441  HB2 CYS A  64       2.819   0.256  -4.770  1.00  0.48           H  
ATOM    442  HB3 CYS A  64       3.220   1.230  -3.364  1.00  0.43           H  
ATOM    443  HG  CYS A  64       0.428   1.247  -4.761  1.00  0.95           H  
ATOM    444  N   SER A  65       2.950   0.832  -7.102  1.00  0.51           N  
ATOM    445  CA  SER A  65       2.582   0.490  -8.502  1.00  0.57           C  
ATOM    446  C   SER A  65       1.789  -0.820  -8.552  1.00  0.58           C  
ATOM    447  O   SER A  65       1.708  -1.463  -9.579  1.00  0.64           O  
ATOM    448  CB  SER A  65       3.922   0.323  -9.207  1.00  0.65           C  
ATOM    449  OG  SER A  65       3.704  -0.110 -10.543  1.00  0.78           O  
ATOM    450  H   SER A  65       3.347   0.149  -6.523  1.00  0.52           H  
ATOM    451  HA  SER A  65       2.023   1.292  -8.956  1.00  0.58           H  
ATOM    452  HB2 SER A  65       4.444   1.265  -9.216  1.00  0.69           H  
ATOM    453  HB3 SER A  65       4.516  -0.408  -8.671  1.00  0.69           H  
ATOM    454  HG  SER A  65       4.257  -0.879 -10.700  1.00  1.09           H  
ATOM    455  N   CYS A  66       1.193  -1.218  -7.462  1.00  0.54           N  
ATOM    456  CA  CYS A  66       0.398  -2.490  -7.484  1.00  0.56           C  
ATOM    457  C   CYS A  66      -1.086  -2.173  -7.447  1.00  0.52           C  
ATOM    458  O   CYS A  66      -1.889  -2.753  -8.151  1.00  0.59           O  
ATOM    459  CB  CYS A  66       0.772  -3.326  -6.239  1.00  0.54           C  
ATOM    460  SG  CYS A  66       1.686  -2.370  -4.994  1.00  1.11           S  
ATOM    461  H   CYS A  66       1.256  -0.679  -6.642  1.00  0.52           H  
ATOM    462  HA  CYS A  66       0.624  -3.044  -8.372  1.00  0.63           H  
ATOM    463  HB2 CYS A  66      -0.134  -3.695  -5.787  1.00  0.95           H  
ATOM    464  HB3 CYS A  66       1.373  -4.164  -6.552  1.00  0.86           H  
ATOM    465  HG  CYS A  66       2.064  -2.989  -4.365  1.00  1.04           H  
ATOM    466  N   CYS A  67      -1.440  -1.259  -6.617  1.00  0.48           N  
ATOM    467  CA  CYS A  67      -2.858  -0.862  -6.476  1.00  0.51           C  
ATOM    468  C   CYS A  67      -3.267   0.051  -7.620  1.00  0.64           C  
ATOM    469  O   CYS A  67      -4.346  -0.051  -8.171  1.00  1.02           O  
ATOM    470  CB  CYS A  67      -2.870  -0.110  -5.154  1.00  0.49           C  
ATOM    471  SG  CYS A  67      -2.252  -1.202  -3.853  1.00  0.43           S  
ATOM    472  H   CYS A  67      -0.761  -0.826  -6.070  1.00  0.48           H  
ATOM    473  HA  CYS A  67      -3.497  -1.721  -6.426  1.00  0.50           H  
ATOM    474  HB2 CYS A  67      -2.226   0.755  -5.231  1.00  0.50           H  
ATOM    475  HB3 CYS A  67      -3.871   0.206  -4.918  1.00  0.65           H  
ATOM    476  HG  CYS A  67      -1.809  -0.659  -3.196  1.00  0.82           H  
ATOM    477  N   GLN A  68      -2.400   0.942  -7.963  1.00  0.59           N  
ATOM    478  CA  GLN A  68      -2.679   1.902  -9.066  1.00  0.69           C  
ATOM    479  C   GLN A  68      -3.457   1.216 -10.193  1.00  0.87           C  
ATOM    480  O   GLN A  68      -4.672   1.323 -10.196  1.00  1.05           O  
ATOM    481  CB  GLN A  68      -1.301   2.343  -9.558  1.00  0.65           C  
ATOM    482  CG  GLN A  68      -0.567   3.068  -8.428  1.00  0.54           C  
ATOM    483  CD  GLN A  68      -0.520   4.566  -8.729  1.00  0.84           C  
ATOM    484  OE1 GLN A  68      -1.495   5.140  -9.173  1.00  1.38           O  
ATOM    485  NE2 GLN A  68       0.581   5.227  -8.506  1.00  0.76           N  
ATOM    486  OXT GLN A  68      -2.824   0.598 -11.032  1.00  1.73           O  
ATOM    487  H   GLN A  68      -1.556   0.982  -7.481  1.00  0.74           H  
ATOM    488  HA  GLN A  68      -3.222   2.750  -8.690  1.00  0.72           H  
ATOM    489  HB2 GLN A  68      -0.731   1.476  -9.860  1.00  0.69           H  
ATOM    490  HB3 GLN A  68      -1.414   3.012 -10.398  1.00  0.71           H  
ATOM    491  HG2 GLN A  68      -1.089   2.904  -7.497  1.00  0.47           H  
ATOM    492  HG3 GLN A  68       0.440   2.687  -8.350  1.00  0.70           H  
ATOM    493 HE21 GLN A  68       1.367   4.763  -8.148  1.00  0.79           H  
ATOM    494 HE22 GLN A  68       0.623   6.187  -8.696  1.00  0.98           H  
TER     495      GLN A  68                                                      
HETATM  496 CD    CD A  69       0.220  -0.947  -3.531  1.00  0.41          CD  
HETATM  497 CD    CD A  70      -1.640  -0.791   2.365  1.00  0.38          CD  
HETATM  498 CD    CD A  71      -2.733  -0.070  -1.665  1.00  0.32          CD  
HETATM  499 CD    CD A  72       0.588   0.727  -0.402  1.00  0.39          CD  
CONECT   39  497                                                                
CONECT   41  497                                                                
CONECT   52  497  499                                                           
CONECT   74  499                                                                
CONECT   85  498  499                                                           
CONECT  127  498                                                                
CONECT  175  497  498                                                           
CONECT  230  497                                                                
CONECT  257  496  499                                                           
CONECT  438  496                                                                
CONECT  460  496                                                                
CONECT  471  496  498                                                           
CONECT  496  257  438  460  471                                                 
CONECT  497   39   41   52  175                                                 
CONECT  497  230                                                                
CONECT  498   85  127  175  471                                                 
CONECT  499   52   74   85  257                                                 
MASTER      185    0    4    0    0    0    7    6  256    1   17    3          
END