HEADER    PROTEIN BINDING                         01-SEP-14   2MTX              
TITLE     PROTECTION AGAINST EXPERIMENTAL P. FALCIPARUM MALARIA IS ASSOCIATED   
TITLE    2 WITH SHORT AMA-1 PEPTIDE ANALOGUE ALPHA-HELICAL STRUCTURES           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: APICAL MEMBRANE ANTIGEN-1;                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 374-393;                                      
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
SOURCE   4 ORGANISM_TAXID: 5833                                                 
KEYWDS    DOMAIN II OF AMA-1, PROTEIN BINDING                                   
EXPDTA    SOLUTION NMR                                                          
AUTHOR    M.CUBILLOS,L.SALAZAR,L.TORRES,M.SANDOVAL,M.E.PATARROYO                
REVDAT   3   14-JUN-23 2MTX    1       REMARK SEQADV LINK                       
REVDAT   2   11-FEB-15 2MTX    1       AUTHOR JRNL                              
REVDAT   1   04-FEB-15 2MTX    0                                                
JRNL        AUTH   M.CUBILLOS,L.SALAZAR,L.TORRES,M.SANDOVAL,M.E.PATARROYO       
JRNL        TITL   PROTECTION AGAINST EXPERIMENTAL P. FALCIPARUM MALARIA IS     
JRNL        TITL 2 ASSOCIATED WITH SHORT AMA-1 PEPTIDE ANALOGUE ALPHA-HELICAL   
JRNL        TITL 3 STRUCTURES                                                   
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : INSIGHT II, INSIGHT II                               
REMARK   3   AUTHORS     : ACCELRYS SOFTWARE INC. (INSIGHT II), ACCELRYS        
REMARK   3                 SOFTWARE INC. (INSIGHT II)                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2MTX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-SEP-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000104040.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 295                                
REMARK 210  PH                             : 3.7                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 8 MM PROTEIN,                      
REMARK 210                                   TRIFLUOROETHANOL/WATER             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D DQF-COSY; 2D 1H-1H TOCSY; 2D    
REMARK 210                                   1H-1H NOESY                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, SIMULATED       
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ASP A  15   CB  -  CG  -  OD2 ANGL. DEV. =  -6.2 DEGREES          
REMARK 500    ARG A  16   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 DEGREES          
REMARK 500    HIS A  20   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.8 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    ASP A  15       82.12     65.06                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25190   RELATED DB: BMRB                                 
DBREF  2MTX A    1    20  UNP    Q9TY48   Q9TY48_PLAFA   374    393             
SEQADV 2MTX NH2 A   21  UNP  Q9TY48              INSERTION                      
SEQRES   1 A   21  MET ILE LYS SER ALA PHE LEU PRO THR GLY ALA PHE LYS          
SEQRES   2 A   21  ALA ASP ARG TYR LYS SER HIS NH2                              
HET    NH2  A  21       3                                                       
HETNAM     NH2 AMINO GROUP                                                      
FORMUL   1  NH2    H2 N                                                         
HELIX    1   1 PHE A   12  TYR A   17  1                                   6    
LINK         C   HIS A  20                 N   NH2 A  21     1555   1555  1.33  
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   MET A   1     -23.049  -0.113   3.105  1.00  0.00           N  
ATOM      2  CA  MET A   1     -21.808  -0.931   2.994  1.00  0.00           C  
ATOM      3  C   MET A   1     -21.296  -0.889   1.527  1.00  0.00           C  
ATOM      4  O   MET A   1     -21.974  -1.361   0.607  1.00  0.00           O  
ATOM      5  CB  MET A   1     -22.071  -2.394   3.445  1.00  0.00           C  
ATOM      6  CG  MET A   1     -22.356  -2.585   4.948  1.00  0.00           C  
ATOM      7  SD  MET A   1     -20.986  -1.972   5.959  1.00  0.00           S  
ATOM      8  CE  MET A   1     -19.812  -3.343   5.877  1.00  0.00           C  
ATOM      9  H1  MET A   1     -23.965  -0.502   2.855  1.00  0.00           H  
ATOM     10  HA  MET A   1     -21.025  -0.537   3.672  1.00  0.00           H  
ATOM     11  HB2 MET A   1     -22.906  -2.831   2.863  1.00  0.00           H  
ATOM     12  HB3 MET A   1     -21.194  -3.018   3.190  1.00  0.00           H  
ATOM     13  HG2 MET A   1     -23.278  -2.049   5.237  1.00  0.00           H  
ATOM     14  HG3 MET A   1     -22.541  -3.651   5.175  1.00  0.00           H  
ATOM     15  HE1 MET A   1     -18.925  -3.128   6.500  1.00  0.00           H  
ATOM     16  HE2 MET A   1     -20.271  -4.278   6.246  1.00  0.00           H  
ATOM     17  HE3 MET A   1     -19.469  -3.510   4.841  1.00  0.00           H  
ATOM     18  N   ILE A   2     -20.086  -0.331   1.330  1.00  0.00           N  
ATOM     19  CA  ILE A   2     -19.446  -0.210  -0.013  1.00  0.00           C  
ATOM     20  C   ILE A   2     -18.672  -1.518  -0.372  1.00  0.00           C  
ATOM     21  O   ILE A   2     -17.817  -1.979   0.392  1.00  0.00           O  
ATOM     22  CB  ILE A   2     -18.576   1.100  -0.108  1.00  0.00           C  
ATOM     23  CG1 ILE A   2     -18.038   1.414  -1.538  1.00  0.00           C  
ATOM     24  CG2 ILE A   2     -17.386   1.164   0.886  1.00  0.00           C  
ATOM     25  CD1 ILE A   2     -19.105   1.668  -2.614  1.00  0.00           C  
ATOM     26  H   ILE A   2     -19.633   0.028   2.177  1.00  0.00           H  
ATOM     27  HA  ILE A   2     -20.267  -0.067  -0.745  1.00  0.00           H  
ATOM     28  HB  ILE A   2     -19.241   1.942   0.165  1.00  0.00           H  
ATOM     29 HG12 ILE A   2     -17.396   2.314  -1.502  1.00  0.00           H  
ATOM     30 HG13 ILE A   2     -17.369   0.602  -1.881  1.00  0.00           H  
ATOM     31 HG21 ILE A   2     -17.711   1.008   1.931  1.00  0.00           H  
ATOM     32 HG22 ILE A   2     -16.884   2.150   0.861  1.00  0.00           H  
ATOM     33 HG23 ILE A   2     -16.614   0.403   0.667  1.00  0.00           H  
ATOM     34 HD11 ILE A   2     -19.719   0.770  -2.810  1.00  0.00           H  
ATOM     35 HD12 ILE A   2     -18.639   1.954  -3.574  1.00  0.00           H  
ATOM     36 HD13 ILE A   2     -19.790   2.487  -2.325  1.00  0.00           H  
ATOM     37  N   LYS A   3     -18.979  -2.086  -1.555  1.00  0.00           N  
ATOM     38  CA  LYS A   3     -18.305  -3.306  -2.073  1.00  0.00           C  
ATOM     39  C   LYS A   3     -17.143  -2.835  -2.999  1.00  0.00           C  
ATOM     40  O   LYS A   3     -17.358  -2.488  -4.166  1.00  0.00           O  
ATOM     41  CB  LYS A   3     -19.368  -4.187  -2.806  1.00  0.00           C  
ATOM     42  CG  LYS A   3     -18.882  -5.623  -3.101  1.00  0.00           C  
ATOM     43  CD  LYS A   3     -19.933  -6.472  -3.844  1.00  0.00           C  
ATOM     44  CE  LYS A   3     -19.445  -7.905  -4.127  1.00  0.00           C  
ATOM     45  NZ  LYS A   3     -20.470  -8.693  -4.833  1.00  0.00           N  
ATOM     46  H   LYS A   3     -19.703  -1.598  -2.093  1.00  0.00           H  
ATOM     47  HA  LYS A   3     -17.874  -3.889  -1.224  1.00  0.00           H  
ATOM     48  HB2 LYS A   3     -20.325  -4.252  -2.240  1.00  0.00           H  
ATOM     49  HB3 LYS A   3     -19.660  -3.698  -3.757  1.00  0.00           H  
ATOM     50  HG2 LYS A   3     -17.952  -5.584  -3.699  1.00  0.00           H  
ATOM     51  HG3 LYS A   3     -18.610  -6.119  -2.151  1.00  0.00           H  
ATOM     52  HD2 LYS A   3     -20.865  -6.507  -3.246  1.00  0.00           H  
ATOM     53  HD3 LYS A   3     -20.200  -5.974  -4.795  1.00  0.00           H  
ATOM     54  HE2 LYS A   3     -18.522  -7.886  -4.736  1.00  0.00           H  
ATOM     55  HE3 LYS A   3     -19.183  -8.418  -3.183  1.00  0.00           H  
ATOM     56  HZ2 LYS A   3     -21.311  -8.777  -4.252  1.00  0.00           H  
ATOM     57  HZ3 LYS A   3     -20.138  -9.653  -4.977  1.00  0.00           H  
ATOM     58  N   SER A   4     -15.915  -2.810  -2.446  1.00  0.00           N  
ATOM     59  CA  SER A   4     -14.696  -2.384  -3.185  1.00  0.00           C  
ATOM     60  C   SER A   4     -13.443  -3.068  -2.574  1.00  0.00           C  
ATOM     61  O   SER A   4     -13.221  -3.020  -1.358  1.00  0.00           O  
ATOM     62  CB  SER A   4     -14.552  -0.839  -3.193  1.00  0.00           C  
ATOM     63  OG  SER A   4     -14.491  -0.288  -1.880  1.00  0.00           O  
ATOM     64  H   SER A   4     -15.875  -3.117  -1.468  1.00  0.00           H  
ATOM     65  HA  SER A   4     -14.799  -2.701  -4.243  1.00  0.00           H  
ATOM     66  HB2 SER A   4     -13.648  -0.540  -3.756  1.00  0.00           H  
ATOM     67  HB3 SER A   4     -15.400  -0.379  -3.735  1.00  0.00           H  
ATOM     68  HG  SER A   4     -15.309  -0.543  -1.447  1.00  0.00           H  
ATOM     69  N   ALA A   5     -12.604  -3.673  -3.440  1.00  0.00           N  
ATOM     70  CA  ALA A   5     -11.366  -4.372  -3.023  1.00  0.00           C  
ATOM     71  C   ALA A   5     -10.235  -3.385  -2.617  1.00  0.00           C  
ATOM     72  O   ALA A   5      -9.825  -2.532  -3.411  1.00  0.00           O  
ATOM     73  CB  ALA A   5     -10.903  -5.293  -4.168  1.00  0.00           C  
ATOM     74  H   ALA A   5     -12.941  -3.736  -4.402  1.00  0.00           H  
ATOM     75  HA  ALA A   5     -11.637  -5.035  -2.182  1.00  0.00           H  
ATOM     76  HB1 ALA A   5     -11.680  -6.031  -4.442  1.00  0.00           H  
ATOM     77  HB2 ALA A   5     -10.006  -5.874  -3.881  1.00  0.00           H  
ATOM     78  HB3 ALA A   5     -10.646  -4.730  -5.085  1.00  0.00           H  
ATOM     79  N   PHE A   6      -9.732  -3.532  -1.376  1.00  0.00           N  
ATOM     80  CA  PHE A   6      -8.653  -2.674  -0.829  1.00  0.00           C  
ATOM     81  C   PHE A   6      -7.249  -3.025  -1.411  1.00  0.00           C  
ATOM     82  O   PHE A   6      -6.836  -4.189  -1.427  1.00  0.00           O  
ATOM     83  CB  PHE A   6      -8.688  -2.714   0.718  1.00  0.00           C  
ATOM     84  CG  PHE A   6      -7.669  -1.808   1.441  1.00  0.00           C  
ATOM     85  CD1 PHE A   6      -7.847  -0.419   1.465  1.00  0.00           C  
ATOM     86  CD2 PHE A   6      -6.517  -2.360   2.014  1.00  0.00           C  
ATOM     87  CE1 PHE A   6      -6.883   0.402   2.044  1.00  0.00           C  
ATOM     88  CE2 PHE A   6      -5.559  -1.537   2.599  1.00  0.00           C  
ATOM     89  CZ  PHE A   6      -5.739  -0.156   2.609  1.00  0.00           C  
ATOM     90  H   PHE A   6     -10.220  -4.204  -0.781  1.00  0.00           H  
ATOM     91  HA  PHE A   6      -8.928  -1.643  -1.060  1.00  0.00           H  
ATOM     92  HB2 PHE A   6      -9.704  -2.457   1.079  1.00  0.00           H  
ATOM     93  HB3 PHE A   6      -8.551  -3.759   1.013  1.00  0.00           H  
ATOM     94  HD1 PHE A   6      -8.723   0.029   1.016  1.00  0.00           H  
ATOM     95  HD2 PHE A   6      -6.350  -3.428   1.993  1.00  0.00           H  
ATOM     96  HE1 PHE A   6      -7.021   1.474   2.052  1.00  0.00           H  
ATOM     97  HE2 PHE A   6      -4.675  -1.968   3.043  1.00  0.00           H  
ATOM     98  HZ  PHE A   6      -4.992   0.482   3.057  1.00  0.00           H  
ATOM     99  N   LEU A   7      -6.533  -1.973  -1.845  1.00  0.00           N  
ATOM    100  CA  LEU A   7      -5.155  -2.084  -2.389  1.00  0.00           C  
ATOM    101  C   LEU A   7      -4.205  -1.368  -1.370  1.00  0.00           C  
ATOM    102  O   LEU A   7      -4.292  -0.138  -1.274  1.00  0.00           O  
ATOM    103  CB  LEU A   7      -5.059  -1.461  -3.811  1.00  0.00           C  
ATOM    104  CG  LEU A   7      -5.730  -2.280  -4.950  1.00  0.00           C  
ATOM    105  CD1 LEU A   7      -5.955  -1.405  -6.199  1.00  0.00           C  
ATOM    106  CD2 LEU A   7      -4.932  -3.545  -5.332  1.00  0.00           C  
ATOM    107  H   LEU A   7      -7.006  -1.067  -1.757  1.00  0.00           H  
ATOM    108  HA  LEU A   7      -4.873  -3.145  -2.502  1.00  0.00           H  
ATOM    109  HB2 LEU A   7      -5.487  -0.439  -3.779  1.00  0.00           H  
ATOM    110  HB3 LEU A   7      -3.995  -1.301  -4.074  1.00  0.00           H  
ATOM    111  HG  LEU A   7      -6.722  -2.610  -4.593  1.00  0.00           H  
ATOM    112 HD11 LEU A   7      -6.582  -0.524  -5.970  1.00  0.00           H  
ATOM    113 HD12 LEU A   7      -5.004  -1.031  -6.622  1.00  0.00           H  
ATOM    114 HD13 LEU A   7      -6.475  -1.963  -7.001  1.00  0.00           H  
ATOM    115 HD21 LEU A   7      -4.827  -4.242  -4.481  1.00  0.00           H  
ATOM    116 HD22 LEU A   7      -3.912  -3.302  -5.685  1.00  0.00           H  
ATOM    117 HD23 LEU A   7      -5.431  -4.113  -6.139  1.00  0.00           H  
ATOM    118  N   PRO A   8      -3.291  -2.050  -0.611  1.00  0.00           N  
ATOM    119  CA  PRO A   8      -2.385  -1.382   0.362  1.00  0.00           C  
ATOM    120  C   PRO A   8      -1.207  -0.618  -0.317  1.00  0.00           C  
ATOM    121  O   PRO A   8      -0.229  -1.222  -0.770  1.00  0.00           O  
ATOM    122  CB  PRO A   8      -1.941  -2.542   1.273  1.00  0.00           C  
ATOM    123  CG  PRO A   8      -2.039  -3.789   0.401  1.00  0.00           C  
ATOM    124  CD  PRO A   8      -3.211  -3.522  -0.544  1.00  0.00           C  
ATOM    125  HA  PRO A   8      -2.970  -0.701   1.002  1.00  0.00           H  
ATOM    126  HB2 PRO A   8      -0.928  -2.407   1.701  1.00  0.00           H  
ATOM    127  HB3 PRO A   8      -2.637  -2.640   2.130  1.00  0.00           H  
ATOM    128  HG2 PRO A   8      -1.104  -3.902  -0.178  1.00  0.00           H  
ATOM    129  HG3 PRO A   8      -2.180  -4.703   1.003  1.00  0.00           H  
ATOM    130  HD2 PRO A   8      -3.028  -3.979  -1.535  1.00  0.00           H  
ATOM    131  HD3 PRO A   8      -4.152  -3.941  -0.137  1.00  0.00           H  
ATOM    132  N   THR A   9      -1.326   0.722  -0.362  1.00  0.00           N  
ATOM    133  CA  THR A   9      -0.312   1.619  -0.969  1.00  0.00           C  
ATOM    134  C   THR A   9       0.832   1.945   0.036  1.00  0.00           C  
ATOM    135  O   THR A   9       0.574   2.338   1.180  1.00  0.00           O  
ATOM    136  CB  THR A   9      -0.960   2.925  -1.525  1.00  0.00           C  
ATOM    137  OG1 THR A   9      -1.632   3.650  -0.497  1.00  0.00           O  
ATOM    138  CG2 THR A   9      -1.942   2.706  -2.691  1.00  0.00           C  
ATOM    139  H   THR A   9      -2.241   1.090  -0.106  1.00  0.00           H  
ATOM    140  HA  THR A   9       0.097   1.087  -1.845  1.00  0.00           H  
ATOM    141  HB  THR A   9      -0.151   3.572  -1.914  1.00  0.00           H  
ATOM    142  HG1 THR A   9      -0.984   3.787   0.198  1.00  0.00           H  
ATOM    143 HG21 THR A   9      -1.459   2.179  -3.535  1.00  0.00           H  
ATOM    144 HG22 THR A   9      -2.323   3.667  -3.081  1.00  0.00           H  
ATOM    145 HG23 THR A   9      -2.820   2.107  -2.386  1.00  0.00           H  
ATOM    146  N   GLY A  10       2.091   1.801  -0.419  1.00  0.00           N  
ATOM    147  CA  GLY A  10       3.279   2.101   0.410  1.00  0.00           C  
ATOM    148  C   GLY A  10       3.742   3.564   0.273  1.00  0.00           C  
ATOM    149  O   GLY A  10       4.485   3.894  -0.655  1.00  0.00           O  
ATOM    150  H   GLY A  10       2.169   1.478  -1.389  1.00  0.00           H  
ATOM    151  HA2 GLY A  10       3.111   1.824   1.470  1.00  0.00           H  
ATOM    152  HA3 GLY A  10       4.101   1.439   0.081  1.00  0.00           H  
ATOM    153  N   ALA A  11       3.310   4.420   1.219  1.00  0.00           N  
ATOM    154  CA  ALA A  11       3.659   5.863   1.236  1.00  0.00           C  
ATOM    155  C   ALA A  11       5.151   6.165   1.563  1.00  0.00           C  
ATOM    156  O   ALA A  11       5.830   6.783   0.739  1.00  0.00           O  
ATOM    157  CB  ALA A  11       2.687   6.609   2.173  1.00  0.00           C  
ATOM    158  H   ALA A  11       2.621   4.040   1.871  1.00  0.00           H  
ATOM    159  HA  ALA A  11       3.450   6.247   0.224  1.00  0.00           H  
ATOM    160  HB1 ALA A  11       2.777   6.276   3.225  1.00  0.00           H  
ATOM    161  HB2 ALA A  11       2.870   7.699   2.160  1.00  0.00           H  
ATOM    162  HB3 ALA A  11       1.632   6.463   1.873  1.00  0.00           H  
ATOM    163  N   PHE A  12       5.657   5.712   2.731  1.00  0.00           N  
ATOM    164  CA  PHE A  12       7.061   5.883   3.158  1.00  0.00           C  
ATOM    165  C   PHE A  12       7.970   4.824   2.462  1.00  0.00           C  
ATOM    166  O   PHE A  12       8.154   3.716   2.974  1.00  0.00           O  
ATOM    167  CB  PHE A  12       7.093   5.890   4.719  1.00  0.00           C  
ATOM    168  CG  PHE A  12       6.753   4.597   5.509  1.00  0.00           C  
ATOM    169  CD1 PHE A  12       5.434   4.131   5.596  1.00  0.00           C  
ATOM    170  CD2 PHE A  12       7.768   3.889   6.164  1.00  0.00           C  
ATOM    171  CE1 PHE A  12       5.143   2.966   6.301  1.00  0.00           C  
ATOM    172  CE2 PHE A  12       7.471   2.733   6.882  1.00  0.00           C  
ATOM    173  CZ  PHE A  12       6.161   2.268   6.943  1.00  0.00           C  
ATOM    174  H   PHE A  12       4.985   5.384   3.423  1.00  0.00           H  
ATOM    175  HA  PHE A  12       7.377   6.896   2.856  1.00  0.00           H  
ATOM    176  HB2 PHE A  12       8.099   6.231   5.003  1.00  0.00           H  
ATOM    177  HB3 PHE A  12       6.439   6.703   5.090  1.00  0.00           H  
ATOM    178  HD1 PHE A  12       4.626   4.667   5.119  1.00  0.00           H  
ATOM    179  HD2 PHE A  12       8.793   4.230   6.121  1.00  0.00           H  
ATOM    180  HE1 PHE A  12       4.124   2.610   6.358  1.00  0.00           H  
ATOM    181  HE2 PHE A  12       8.257   2.201   7.394  1.00  0.00           H  
ATOM    182  HZ  PHE A  12       5.932   1.368   7.496  1.00  0.00           H  
ATOM    183  N   LYS A  13       8.506   5.183   1.267  1.00  0.00           N  
ATOM    184  CA  LYS A  13       9.398   4.319   0.429  1.00  0.00           C  
ATOM    185  C   LYS A  13       8.892   2.843   0.298  1.00  0.00           C  
ATOM    186  O   LYS A  13       9.507   1.914   0.823  1.00  0.00           O  
ATOM    187  CB  LYS A  13      10.860   4.578   0.905  1.00  0.00           C  
ATOM    188  CG  LYS A  13      12.001   3.652   0.421  1.00  0.00           C  
ATOM    189  CD  LYS A  13      12.146   3.505  -1.108  1.00  0.00           C  
ATOM    190  CE  LYS A  13      13.285   2.541  -1.490  1.00  0.00           C  
ATOM    191  NZ  LYS A  13      13.404   2.383  -2.950  1.00  0.00           N  
ATOM    192  H   LYS A  13       8.575   6.197   1.159  1.00  0.00           H  
ATOM    193  HA  LYS A  13       9.353   4.733  -0.597  1.00  0.00           H  
ATOM    194  HB2 LYS A  13      11.134   5.613   0.622  1.00  0.00           H  
ATOM    195  HB3 LYS A  13      10.870   4.594   2.010  1.00  0.00           H  
ATOM    196  HG2 LYS A  13      12.952   4.032   0.838  1.00  0.00           H  
ATOM    197  HG3 LYS A  13      11.876   2.655   0.880  1.00  0.00           H  
ATOM    198  HD2 LYS A  13      11.194   3.142  -1.539  1.00  0.00           H  
ATOM    199  HD3 LYS A  13      12.324   4.500  -1.558  1.00  0.00           H  
ATOM    200  HE2 LYS A  13      14.246   2.906  -1.087  1.00  0.00           H  
ATOM    201  HE3 LYS A  13      13.119   1.547  -1.037  1.00  0.00           H  
ATOM    202  HZ2 LYS A  13      12.543   1.976  -3.331  1.00  0.00           H  
ATOM    203  HZ3 LYS A  13      14.148   1.713  -3.172  1.00  0.00           H  
ATOM    204  N   ALA A  14       7.732   2.661  -0.378  1.00  0.00           N  
ATOM    205  CA  ALA A  14       7.077   1.332  -0.604  1.00  0.00           C  
ATOM    206  C   ALA A  14       6.848   0.434   0.667  1.00  0.00           C  
ATOM    207  O   ALA A  14       6.869  -0.798   0.588  1.00  0.00           O  
ATOM    208  CB  ALA A  14       7.774   0.602  -1.775  1.00  0.00           C  
ATOM    209  H   ALA A  14       7.250   3.532  -0.619  1.00  0.00           H  
ATOM    210  HA  ALA A  14       6.059   1.565  -0.965  1.00  0.00           H  
ATOM    211  HB1 ALA A  14       8.824   0.347  -1.546  1.00  0.00           H  
ATOM    212  HB2 ALA A  14       7.258  -0.340  -2.035  1.00  0.00           H  
ATOM    213  HB3 ALA A  14       7.784   1.218  -2.694  1.00  0.00           H  
ATOM    214  N   ASP A  15       6.580   1.077   1.828  1.00  0.00           N  
ATOM    215  CA  ASP A  15       6.337   0.434   3.145  1.00  0.00           C  
ATOM    216  C   ASP A  15       7.590  -0.302   3.665  1.00  0.00           C  
ATOM    217  O   ASP A  15       7.717  -1.523   3.535  1.00  0.00           O  
ATOM    218  CB  ASP A  15       4.995  -0.352   3.182  1.00  0.00           C  
ATOM    219  CG  ASP A  15       4.544  -0.818   4.573  1.00  0.00           C  
ATOM    220  OD1 ASP A  15       4.048  -0.068   5.413  1.00  0.00           O  
ATOM    221  OD2 ASP A  15       4.755  -2.159   4.762  1.00  0.00           O  
ATOM    222  H   ASP A  15       6.756   2.088   1.781  1.00  0.00           H  
ATOM    223  HA  ASP A  15       6.256   1.298   3.805  1.00  0.00           H  
ATOM    224  HB2 ASP A  15       4.185   0.279   2.772  1.00  0.00           H  
ATOM    225  HB3 ASP A  15       5.045  -1.222   2.500  1.00  0.00           H  
ATOM    226  HD2 ASP A  15       4.471  -2.449   5.632  1.00  0.00           H  
ATOM    227  N   ARG A  16       8.490   0.502   4.279  1.00  0.00           N  
ATOM    228  CA  ARG A  16       9.793   0.040   4.854  1.00  0.00           C  
ATOM    229  C   ARG A  16      10.676  -0.817   3.879  1.00  0.00           C  
ATOM    230  O   ARG A  16      11.464  -1.666   4.307  1.00  0.00           O  
ATOM    231  CB  ARG A  16       9.708  -0.517   6.308  1.00  0.00           C  
ATOM    232  CG  ARG A  16       8.841  -1.761   6.617  1.00  0.00           C  
ATOM    233  CD  ARG A  16       7.429  -1.416   7.136  1.00  0.00           C  
ATOM    234  NE  ARG A  16       6.645  -2.639   7.429  1.00  0.00           N  
ATOM    235  CZ  ARG A  16       5.426  -2.645   8.002  1.00  0.00           C  
ATOM    236  NH1 ARG A  16       4.778  -1.545   8.386  1.00  0.00           N  
ATOM    237  NH2 ARG A  16       4.836  -3.810   8.194  1.00  0.00           N  
ATOM    238  H   ARG A  16       8.271   1.499   4.152  1.00  0.00           H  
ATOM    239  HA  ARG A  16      10.375   0.974   4.959  1.00  0.00           H  
ATOM    240  HB2 ARG A  16      10.741  -0.750   6.629  1.00  0.00           H  
ATOM    241  HB3 ARG A  16       9.427   0.304   6.992  1.00  0.00           H  
ATOM    242  HG2 ARG A  16       8.794  -2.425   5.734  1.00  0.00           H  
ATOM    243  HG3 ARG A  16       9.358  -2.357   7.393  1.00  0.00           H  
ATOM    244  HD2 ARG A  16       7.513  -0.796   8.049  1.00  0.00           H  
ATOM    245  HD3 ARG A  16       6.887  -0.800   6.396  1.00  0.00           H  
ATOM    246 HH11 ARG A  16       5.255  -0.651   8.227  1.00  0.00           H  
ATOM    247 HH12 ARG A  16       3.854  -1.682   8.810  1.00  0.00           H  
ATOM    248 HH21 ARG A  16       5.354  -4.642   7.891  1.00  0.00           H  
ATOM    249 HH22 ARG A  16       3.908  -3.788   8.631  1.00  0.00           H  
ATOM    250  N   TYR A  17      10.553  -0.525   2.566  1.00  0.00           N  
ATOM    251  CA  TYR A  17      11.310  -1.237   1.503  1.00  0.00           C  
ATOM    252  C   TYR A  17      12.800  -0.780   1.432  1.00  0.00           C  
ATOM    253  O   TYR A  17      13.096   0.419   1.396  1.00  0.00           O  
ATOM    254  CB  TYR A  17      10.582  -1.099   0.149  1.00  0.00           C  
ATOM    255  CG  TYR A  17      11.071  -2.017  -0.989  1.00  0.00           C  
ATOM    256  CD1 TYR A  17      10.632  -3.344  -1.063  1.00  0.00           C  
ATOM    257  CD2 TYR A  17      11.960  -1.536  -1.956  1.00  0.00           C  
ATOM    258  CE1 TYR A  17      11.080  -4.177  -2.085  1.00  0.00           C  
ATOM    259  CE2 TYR A  17      12.410  -2.371  -2.976  1.00  0.00           C  
ATOM    260  CZ  TYR A  17      11.969  -3.691  -3.042  1.00  0.00           C  
ATOM    261  OH  TYR A  17      12.411  -4.512  -4.048  1.00  0.00           O  
ATOM    262  H   TYR A  17       9.653  -0.016   2.420  1.00  0.00           H  
ATOM    263  HA  TYR A  17      11.239  -2.303   1.728  1.00  0.00           H  
ATOM    264  HB2 TYR A  17       9.495  -1.259   0.282  1.00  0.00           H  
ATOM    265  HB3 TYR A  17      10.675  -0.053  -0.152  1.00  0.00           H  
ATOM    266  HD1 TYR A  17       9.945  -3.736  -0.325  1.00  0.00           H  
ATOM    267  HD2 TYR A  17      12.316  -0.516  -1.917  1.00  0.00           H  
ATOM    268  HE1 TYR A  17      10.736  -5.200  -2.133  1.00  0.00           H  
ATOM    269  HE2 TYR A  17      13.102  -1.991  -3.715  1.00  0.00           H  
ATOM    270  HH  TYR A  17      12.012  -5.379  -3.942  1.00  0.00           H  
ATOM    271  N   LYS A  18      13.720  -1.762   1.376  1.00  0.00           N  
ATOM    272  CA  LYS A  18      15.178  -1.514   1.283  1.00  0.00           C  
ATOM    273  C   LYS A  18      15.598  -1.147  -0.174  1.00  0.00           C  
ATOM    274  O   LYS A  18      15.269  -1.859  -1.129  1.00  0.00           O  
ATOM    275  CB  LYS A  18      15.922  -2.765   1.825  1.00  0.00           C  
ATOM    276  CG  LYS A  18      17.445  -2.586   2.015  1.00  0.00           C  
ATOM    277  CD  LYS A  18      18.120  -3.820   2.645  1.00  0.00           C  
ATOM    278  CE  LYS A  18      19.645  -3.658   2.776  1.00  0.00           C  
ATOM    279  NZ  LYS A  18      20.266  -4.860   3.358  1.00  0.00           N  
ATOM    280  H   LYS A  18      13.363  -2.705   1.531  1.00  0.00           H  
ATOM    281  HA  LYS A  18      15.400  -0.687   1.979  1.00  0.00           H  
ATOM    282  HB2 LYS A  18      15.491  -3.049   2.806  1.00  0.00           H  
ATOM    283  HB3 LYS A  18      15.734  -3.633   1.163  1.00  0.00           H  
ATOM    284  HG2 LYS A  18      17.916  -2.368   1.037  1.00  0.00           H  
ATOM    285  HG3 LYS A  18      17.638  -1.698   2.647  1.00  0.00           H  
ATOM    286  HD2 LYS A  18      17.676  -4.014   3.640  1.00  0.00           H  
ATOM    287  HD3 LYS A  18      17.891  -4.714   2.033  1.00  0.00           H  
ATOM    288  HE2 LYS A  18      20.100  -3.463   1.787  1.00  0.00           H  
ATOM    289  HE3 LYS A  18      19.888  -2.783   3.408  1.00  0.00           H  
ATOM    290  HZ2 LYS A  18      20.113  -5.668   2.744  1.00  0.00           H  
ATOM    291  HZ3 LYS A  18      21.284  -4.741   3.409  1.00  0.00           H  
ATOM    292  N   SER A  19      16.350  -0.038  -0.313  1.00  0.00           N  
ATOM    293  CA  SER A  19      16.855   0.447  -1.626  1.00  0.00           C  
ATOM    294  C   SER A  19      18.020  -0.426  -2.178  1.00  0.00           C  
ATOM    295  O   SER A  19      18.971  -0.738  -1.452  1.00  0.00           O  
ATOM    296  CB  SER A  19      17.274   1.933  -1.511  1.00  0.00           C  
ATOM    297  OG  SER A  19      18.353   2.130  -0.600  1.00  0.00           O  
ATOM    298  H   SER A  19      16.555   0.456   0.562  1.00  0.00           H  
ATOM    299  HA  SER A  19      16.003   0.427  -2.337  1.00  0.00           H  
ATOM    300  HB2 SER A  19      17.565   2.324  -2.503  1.00  0.00           H  
ATOM    301  HB3 SER A  19      16.418   2.555  -1.192  1.00  0.00           H  
ATOM    302  HG  SER A  19      18.036   1.829   0.255  1.00  0.00           H  
ATOM    303  N   HIS A  20      17.925  -0.805  -3.466  1.00  0.00           N  
ATOM    304  CA  HIS A  20      18.952  -1.643  -4.145  1.00  0.00           C  
ATOM    305  C   HIS A  20      19.194  -1.055  -5.560  1.00  0.00           C  
ATOM    306  O   HIS A  20      18.323  -1.065  -6.432  1.00  0.00           O  
ATOM    307  CB  HIS A  20      18.523  -3.136  -4.226  1.00  0.00           C  
ATOM    308  CG  HIS A  20      18.369  -3.849  -2.877  1.00  0.00           C  
ATOM    309  ND1 HIS A  20      19.420  -4.117  -2.004  1.00  0.00           N  
ATOM    310  CD2 HIS A  20      17.147  -4.293  -2.337  1.00  0.00           C  
ATOM    311  CE1 HIS A  20      18.706  -4.707  -0.989  1.00  0.00           C  
ATOM    312  NE2 HIS A  20      17.351  -4.862  -1.097  1.00  0.00           N  
ATOM    313  H   HIS A  20      17.083  -0.477  -3.954  1.00  0.00           H  
ATOM    314  HA  HIS A  20      19.906  -1.611  -3.578  1.00  0.00           H  
ATOM    315  HB2 HIS A  20      17.583  -3.228  -4.806  1.00  0.00           H  
ATOM    316  HB3 HIS A  20      19.269  -3.697  -4.820  1.00  0.00           H  
ATOM    317  HD2 HIS A  20      16.181  -4.190  -2.810  1.00  0.00           H  
ATOM    318  HE1 HIS A  20      19.220  -5.060  -0.108  1.00  0.00           H  
ATOM    319  HE2 HIS A  20      16.679  -5.273  -0.440  1.00  0.00           H  
HETATM  320  N   NH2 A  21      20.383  -0.530  -5.828  1.00  0.00           N  
HETATM  321  HN1 NH2 A  21      20.515  -0.151  -6.772  1.00  0.00           H  
HETATM  322  HN2 NH2 A  21      21.075  -0.548  -5.070  1.00  0.00           H  
TER     323      NH2 A  21                                                      
CONECT  305  320                                                                
CONECT  320  305  321  322                                                      
CONECT  321  320                                                                
CONECT  322  320                                                                
MASTER      110    0    1    1    0    0    0    6  160    1    4    2          
END