HEADER    CELL INVASION                           28-JUL-14   2MSA              
TITLE     STRUCTURAL AND IMMUNOLOGICAL ANALYSIS OF CIRCUMSPOROZOITE PROTEIN     
TITLE    2 PEPTIDES: A FURTHER STEP IN THE IDENTIFICATION OF POTENTIAL          
TITLE    3 COMPONENTS OF A MINIMAL SUBUNIT-BASED, CHEMICALLY SYNTHESISED        
TITLE    4 ANTIMALARIAL VACCINE.                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CIRCUMSPOROZOITE PROTEIN PEPTIDE;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
SOURCE   4 ORGANISM_TAXID: 5833                                                 
KEYWDS    CLASIC TURN TYPE II, CELL INVASION                                    
EXPDTA    SOLUTION NMR                                                          
AUTHOR    B.ADRIANA,V.MAGNOLIA,P.E.MANUEL                                       
REVDAT   2   14-JUN-23 2MSA    1       REMARK LINK                              
REVDAT   1   03-SEP-14 2MSA    0                                                
JRNL        AUTH   A.BERMUDEZ,M.VANEGAS,M.E.PATARROYO                           
JRNL        TITL   STRUCTURAL AND IMMUNOLOGICAL ANALYSIS OF CIRCUMSPOROZOITE    
JRNL        TITL 2 PROTEIN PEPTIDES: A FURTHER STEP IN THE IDENTIFICATION OF    
JRNL        TITL 3 POTENTIAL COMPONENTS OF A MINIMAL SUBUNIT-BASED, CHEMICALLY  
JRNL        TITL 4 SYNTHESISED ANTIMALARIAL VACCINE.                            
JRNL        REF    VACCINE                       V.  26  6908 2008              
JRNL        REFN                   ISSN 0264-410X                               
JRNL        PMID   18930095                                                     
JRNL        DOI    10.1016/J.VACCINE.2008.09.071                                
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 2MSA COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-AUG-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000103991.                                   
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    : 600 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 LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    GLU A   8   CD    GLU A   8   OE2     0.120                       
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    PRO A  10   CA  -  N   -  CD  ANGL. DEV. =  -9.9 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25112   RELATED DB: BMRB                                 
DBREF  2MSA A    1    15  PDB    2MSA     2MSA             1     15             
SEQRES   1 A   15  LYS ASN SER PHE SER LEU GLY GLU ASN PRO ASN ALA ASN          
SEQRES   2 A   15  PRO NH2                                                      
HET    NH2  A  15       3                                                       
HETNAM     NH2 AMINO GROUP                                                      
FORMUL   1  NH2    H2 N                                                         
LINK         C   PRO A  14                 N   NH2 A  15     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   LYS A   1     -21.190   0.069  -0.601  1.00  0.00           N  
ATOM      2  CA  LYS A   1     -19.962   0.017  -1.424  1.00  0.00           C  
ATOM      3  C   LYS A   1     -18.739  -0.086  -0.474  1.00  0.00           C  
ATOM      4  O   LYS A   1     -18.410   0.869   0.240  1.00  0.00           O  
ATOM      5  CB  LYS A   1     -19.918   1.244  -2.372  1.00  0.00           C  
ATOM      6  CG  LYS A   1     -18.788   1.197  -3.429  1.00  0.00           C  
ATOM      7  CD  LYS A   1     -18.779   2.379  -4.425  1.00  0.00           C  
ATOM      8  CE  LYS A   1     -18.432   3.772  -3.855  1.00  0.00           C  
ATOM      9  NZ  LYS A   1     -17.037   3.882  -3.385  1.00  0.00           N  
ATOM     10  H1  LYS A   1     -22.016   0.139  -1.206  1.00  0.00           H  
ATOM     11  H2  LYS A   1     -21.194   0.920  -0.028  1.00  0.00           H  
ATOM     12  HA  LYS A   1     -20.040  -0.890  -2.056  1.00  0.00           H  
ATOM     13  HB2 LYS A   1     -20.883   1.329  -2.910  1.00  0.00           H  
ATOM     14  HB3 LYS A   1     -19.834   2.175  -1.778  1.00  0.00           H  
ATOM     15  HG2 LYS A   1     -17.804   1.126  -2.930  1.00  0.00           H  
ATOM     16  HG3 LYS A   1     -18.884   0.259  -4.008  1.00  0.00           H  
ATOM     17  HD2 LYS A   1     -18.077   2.143  -5.247  1.00  0.00           H  
ATOM     18  HD3 LYS A   1     -19.768   2.436  -4.917  1.00  0.00           H  
ATOM     19  HE2 LYS A   1     -18.597   4.534  -4.639  1.00  0.00           H  
ATOM     20  HE3 LYS A   1     -19.120   4.042  -3.033  1.00  0.00           H  
ATOM     21  HZ2 LYS A   1     -16.390   3.719  -4.164  1.00  0.00           H  
ATOM     22  HZ3 LYS A   1     -16.849   4.838  -3.065  1.00  0.00           H  
ATOM     23  N   ASN A   2     -18.063  -1.251  -0.490  1.00  0.00           N  
ATOM     24  CA  ASN A   2     -16.919  -1.544   0.407  1.00  0.00           C  
ATOM     25  C   ASN A   2     -15.606  -0.938  -0.165  1.00  0.00           C  
ATOM     26  O   ASN A   2     -15.169  -1.300  -1.263  1.00  0.00           O  
ATOM     27  CB  ASN A   2     -16.767  -3.076   0.637  1.00  0.00           C  
ATOM     28  CG  ASN A   2     -17.801  -3.717   1.586  1.00  0.00           C  
ATOM     29  OD1 ASN A   2     -17.537  -3.936   2.768  1.00  0.00           O  
ATOM     30  ND2 ASN A   2     -18.988  -4.031   1.091  1.00  0.00           N  
ATOM     31  H   ASN A   2     -18.503  -2.001  -1.025  1.00  0.00           H  
ATOM     32  HA  ASN A   2     -17.159  -1.106   1.390  1.00  0.00           H  
ATOM     33  HB2 ASN A   2     -16.746  -3.618  -0.330  1.00  0.00           H  
ATOM     34  HB3 ASN A   2     -15.771  -3.279   1.077  1.00  0.00           H  
ATOM     35 HD21 ASN A   2     -19.161  -3.729   0.127  1.00  0.00           H  
ATOM     36 HD22 ASN A   2     -19.666  -4.440   1.743  1.00  0.00           H  
ATOM     37  N   SER A   3     -14.978  -0.034   0.610  1.00  0.00           N  
ATOM     38  CA  SER A   3     -13.720   0.640   0.217  1.00  0.00           C  
ATOM     39  C   SER A   3     -12.478  -0.272   0.430  1.00  0.00           C  
ATOM     40  O   SER A   3     -12.193  -0.696   1.555  1.00  0.00           O  
ATOM     41  CB  SER A   3     -13.601   1.976   0.961  1.00  0.00           C  
ATOM     42  OG  SER A   3     -12.477   2.723   0.508  1.00  0.00           O  
ATOM     43  H   SER A   3     -15.492   0.266   1.440  1.00  0.00           H  
ATOM     44  HA  SER A   3     -13.821   0.944  -0.825  1.00  0.00           H  
ATOM     45  HB2 SER A   3     -14.513   2.593   0.830  1.00  0.00           H  
ATOM     46  HB3 SER A   3     -13.498   1.773   2.031  1.00  0.00           H  
ATOM     47  HG  SER A   3     -12.628   2.887  -0.426  1.00  0.00           H  
ATOM     48  N   PHE A   4     -11.740  -0.542  -0.664  1.00  0.00           N  
ATOM     49  CA  PHE A   4     -10.527  -1.394  -0.637  1.00  0.00           C  
ATOM     50  C   PHE A   4      -9.293  -0.631  -0.069  1.00  0.00           C  
ATOM     51  O   PHE A   4      -8.944   0.455  -0.545  1.00  0.00           O  
ATOM     52  CB  PHE A   4     -10.272  -1.981  -2.045  1.00  0.00           C  
ATOM     53  CG  PHE A   4      -9.116  -2.999  -2.147  1.00  0.00           C  
ATOM     54  CD1 PHE A   4      -9.319  -4.337  -1.792  1.00  0.00           C  
ATOM     55  CD2 PHE A   4      -7.839  -2.580  -2.540  1.00  0.00           C  
ATOM     56  CE1 PHE A   4      -8.259  -5.241  -1.825  1.00  0.00           C  
ATOM     57  CE2 PHE A   4      -6.781  -3.484  -2.568  1.00  0.00           C  
ATOM     58  CZ  PHE A   4      -6.991  -4.813  -2.211  1.00  0.00           C  
ATOM     59  H   PHE A   4     -12.136  -0.226  -1.550  1.00  0.00           H  
ATOM     60  HA  PHE A   4     -10.767  -2.270  -0.034  1.00  0.00           H  
ATOM     61  HB2 PHE A   4     -11.196  -2.455  -2.431  1.00  0.00           H  
ATOM     62  HB3 PHE A   4     -10.098  -1.137  -2.719  1.00  0.00           H  
ATOM     63  HD1 PHE A   4     -10.295  -4.679  -1.476  1.00  0.00           H  
ATOM     64  HD2 PHE A   4      -7.658  -1.547  -2.802  1.00  0.00           H  
ATOM     65  HE1 PHE A   4      -8.419  -6.272  -1.545  1.00  0.00           H  
ATOM     66  HE2 PHE A   4      -5.795  -3.154  -2.860  1.00  0.00           H  
ATOM     67  HZ  PHE A   4      -6.169  -5.513  -2.231  1.00  0.00           H  
ATOM     68  N   SER A   5      -8.618  -1.254   0.916  1.00  0.00           N  
ATOM     69  CA  SER A   5      -7.399  -0.701   1.540  1.00  0.00           C  
ATOM     70  C   SER A   5      -6.146  -1.010   0.671  1.00  0.00           C  
ATOM     71  O   SER A   5      -5.758  -2.173   0.510  1.00  0.00           O  
ATOM     72  CB  SER A   5      -7.271  -1.218   2.979  1.00  0.00           C  
ATOM     73  OG  SER A   5      -6.172  -0.610   3.649  1.00  0.00           O  
ATOM     74  H   SER A   5      -9.068  -2.084   1.302  1.00  0.00           H  
ATOM     75  HA  SER A   5      -7.547   0.369   1.674  1.00  0.00           H  
ATOM     76  HB2 SER A   5      -8.195  -1.024   3.560  1.00  0.00           H  
ATOM     77  HB3 SER A   5      -7.127  -2.303   2.950  1.00  0.00           H  
ATOM     78  HG  SER A   5      -6.358   0.332   3.661  1.00  0.00           H  
ATOM     79  N   LEU A   6      -5.520   0.051   0.129  1.00  0.00           N  
ATOM     80  CA  LEU A   6      -4.317  -0.056  -0.724  1.00  0.00           C  
ATOM     81  C   LEU A   6      -3.031  -0.230   0.132  1.00  0.00           C  
ATOM     82  O   LEU A   6      -2.716   0.619   0.975  1.00  0.00           O  
ATOM     83  CB  LEU A   6      -4.192   1.183  -1.651  1.00  0.00           C  
ATOM     84  CG  LEU A   6      -5.239   1.317  -2.802  1.00  0.00           C  
ATOM     85  CD1 LEU A   6      -5.061   2.679  -3.483  1.00  0.00           C  
ATOM     86  CD2 LEU A   6      -5.135   0.187  -3.842  1.00  0.00           C  
ATOM     87  H   LEU A   6      -5.980   0.952   0.251  1.00  0.00           H  
ATOM     88  HA  LEU A   6      -4.464  -0.914  -1.392  1.00  0.00           H  
ATOM     89  HB2 LEU A   6      -4.192   2.099  -1.025  1.00  0.00           H  
ATOM     90  HB3 LEU A   6      -3.182   1.182  -2.109  1.00  0.00           H  
ATOM     91  HG  LEU A   6      -6.277   1.294  -2.417  1.00  0.00           H  
ATOM     92 HD11 LEU A   6      -5.806   2.825  -4.286  1.00  0.00           H  
ATOM     93 HD12 LEU A   6      -5.196   3.502  -2.757  1.00  0.00           H  
ATOM     94 HD13 LEU A   6      -4.054   2.784  -3.927  1.00  0.00           H  
ATOM     95 HD21 LEU A   6      -5.856   0.330  -4.667  1.00  0.00           H  
ATOM     96 HD22 LEU A   6      -4.123   0.120  -4.280  1.00  0.00           H  
ATOM     97 HD23 LEU A   6      -5.368  -0.795  -3.395  1.00  0.00           H  
ATOM     98  N   GLY A   7      -2.293  -1.328  -0.114  1.00  0.00           N  
ATOM     99  CA  GLY A   7      -1.019  -1.610   0.588  1.00  0.00           C  
ATOM    100  C   GLY A   7       0.194  -1.049  -0.178  1.00  0.00           C  
ATOM    101  O   GLY A   7       0.849  -1.780  -0.926  1.00  0.00           O  
ATOM    102  H   GLY A   7      -2.664  -1.949  -0.842  1.00  0.00           H  
ATOM    103  HA2 GLY A   7      -1.039  -1.245   1.635  1.00  0.00           H  
ATOM    104  HA3 GLY A   7      -0.910  -2.707   0.679  1.00  0.00           H  
ATOM    105  N   GLU A   8       0.496   0.241   0.055  1.00  0.00           N  
ATOM    106  CA  GLU A   8       1.622   0.952  -0.597  1.00  0.00           C  
ATOM    107  C   GLU A   8       2.989   0.588   0.049  1.00  0.00           C  
ATOM    108  O   GLU A   8       3.175   0.738   1.262  1.00  0.00           O  
ATOM    109  CB  GLU A   8       1.384   2.503  -0.509  1.00  0.00           C  
ATOM    110  CG  GLU A   8       0.082   3.054  -1.144  1.00  0.00           C  
ATOM    111  CD  GLU A   8      -0.026   2.848  -2.659  1.00  0.00           C  
ATOM    112  OE1 GLU A   8       0.422   3.644  -3.484  1.00  0.00           O  
ATOM    113  OE2 GLU A   8      -0.673   1.682  -2.982  1.00  0.00           O  
ATOM    114  H   GLU A   8      -0.253   0.778   0.493  1.00  0.00           H  
ATOM    115  HA  GLU A   8       1.601   0.618  -1.661  1.00  0.00           H  
ATOM    116  HB2 GLU A   8       1.430   2.848   0.546  1.00  0.00           H  
ATOM    117  HB3 GLU A   8       2.232   3.056  -0.941  1.00  0.00           H  
ATOM    118  HG2 GLU A   8      -0.804   2.620  -0.643  1.00  0.00           H  
ATOM    119  HG3 GLU A   8       0.016   4.138  -0.936  1.00  0.00           H  
ATOM    120  HE2 GLU A   8      -0.947   1.196  -2.201  1.00  0.00           H  
ATOM    121  N   ASN A   9       3.942   0.132  -0.786  1.00  0.00           N  
ATOM    122  CA  ASN A   9       5.299  -0.262  -0.338  1.00  0.00           C  
ATOM    123  C   ASN A   9       6.211   0.994  -0.097  1.00  0.00           C  
ATOM    124  O   ASN A   9       6.380   1.773  -1.042  1.00  0.00           O  
ATOM    125  CB  ASN A   9       5.909  -1.239  -1.383  1.00  0.00           C  
ATOM    126  CG  ASN A   9       7.271  -1.856  -0.996  1.00  0.00           C  
ATOM    127  OD1 ASN A   9       8.326  -1.358  -1.388  1.00  0.00           O  
ATOM    128  ND2 ASN A   9       7.282  -2.935  -0.227  1.00  0.00           N  
ATOM    129  H   ASN A   9       3.636  -0.051  -1.743  1.00  0.00           H  
ATOM    130  HA  ASN A   9       5.162  -0.854   0.577  1.00  0.00           H  
ATOM    131  HB2 ASN A   9       5.195  -2.061  -1.595  1.00  0.00           H  
ATOM    132  HB3 ASN A   9       6.027  -0.723  -2.356  1.00  0.00           H  
ATOM    133 HD21 ASN A   9       6.369  -3.316   0.046  1.00  0.00           H  
ATOM    134 HD22 ASN A   9       8.203  -3.320   0.008  1.00  0.00           H  
ATOM    135  N   PRO A  10       6.889   1.162   1.079  1.00  0.00           N  
ATOM    136  CA  PRO A  10       7.759   2.292   1.406  1.00  0.00           C  
ATOM    137  C   PRO A  10       8.816   2.794   0.386  1.00  0.00           C  
ATOM    138  O   PRO A  10       9.374   2.002  -0.383  1.00  0.00           O  
ATOM    139  CB  PRO A  10       8.340   1.962   2.786  1.00  0.00           C  
ATOM    140  CG  PRO A  10       7.610   0.725   3.247  1.00  0.00           C  
ATOM    141  CD  PRO A  10       6.377   0.788   2.396  1.00  0.00           C  
ATOM    142  HA  PRO A  10       6.990   3.010   1.649  1.00  0.00           H  
ATOM    143  HB2 PRO A  10       9.432   1.854   2.794  1.00  0.00           H  
ATOM    144  HB3 PRO A  10       8.046   2.744   3.496  1.00  0.00           H  
ATOM    145  HG2 PRO A  10       8.150  -0.172   2.970  1.00  0.00           H  
ATOM    146  HG3 PRO A  10       7.397   0.716   4.330  1.00  0.00           H  
ATOM    147  HD2 PRO A  10       5.864  -0.108   2.392  1.00  0.00           H  
ATOM    148  HD3 PRO A  10       5.682   1.526   2.811  1.00  0.00           H  
ATOM    149  N   ASN A  11       9.108   4.111   0.432  1.00  0.00           N  
ATOM    150  CA  ASN A  11      10.127   4.757  -0.440  1.00  0.00           C  
ATOM    151  C   ASN A  11      11.547   4.157  -0.180  1.00  0.00           C  
ATOM    152  O   ASN A  11      12.056   4.199   0.945  1.00  0.00           O  
ATOM    153  CB  ASN A  11       9.992   6.305  -0.391  1.00  0.00           C  
ATOM    154  CG  ASN A  11      10.599   7.057   0.805  1.00  0.00           C  
ATOM    155  OD1 ASN A  11       9.931   7.402   1.780  1.00  0.00           O  
ATOM    156  ND2 ASN A  11      11.891   7.306   0.714  1.00  0.00           N  
ATOM    157  H   ASN A  11       8.523   4.668   1.060  1.00  0.00           H  
ATOM    158  HA  ASN A  11       9.848   4.536  -1.476  1.00  0.00           H  
ATOM    159  HB2 ASN A  11      10.423   6.716  -1.326  1.00  0.00           H  
ATOM    160  HB3 ASN A  11       8.924   6.588  -0.473  1.00  0.00           H  
ATOM    161 HD21 ASN A  11      12.326   6.799  -0.068  1.00  0.00           H  
ATOM    162 HD22 ASN A  11      12.350   7.698   1.542  1.00  0.00           H  
ATOM    163  N   ALA A  12      12.146   3.571  -1.237  1.00  0.00           N  
ATOM    164  CA  ALA A  12      13.494   2.927  -1.193  1.00  0.00           C  
ATOM    165  C   ALA A  12      13.598   1.717  -0.194  1.00  0.00           C  
ATOM    166  O   ALA A  12      14.585   1.582   0.538  1.00  0.00           O  
ATOM    167  CB  ALA A  12      14.611   4.004  -0.986  1.00  0.00           C  
ATOM    168  H   ALA A  12      11.599   3.603  -2.104  1.00  0.00           H  
ATOM    169  HA  ALA A  12      13.612   2.460  -2.202  1.00  0.00           H  
ATOM    170  HB1 ALA A  12      14.557   4.836  -1.715  1.00  0.00           H  
ATOM    171  HB2 ALA A  12      15.632   3.586  -1.064  1.00  0.00           H  
ATOM    172  HB3 ALA A  12      14.564   4.481   0.016  1.00  0.00           H  
ATOM    173  N   ASN A  13      12.588   0.814  -0.203  1.00  0.00           N  
ATOM    174  CA  ASN A  13      12.541  -0.377   0.679  1.00  0.00           C  
ATOM    175  C   ASN A  13      13.420  -1.545   0.108  1.00  0.00           C  
ATOM    176  O   ASN A  13      13.226  -1.892  -1.063  1.00  0.00           O  
ATOM    177  CB  ASN A  13      11.050  -0.785   0.858  1.00  0.00           C  
ATOM    178  CG  ASN A  13      10.784  -1.933   1.853  1.00  0.00           C  
ATOM    179  OD1 ASN A  13      10.662  -3.095   1.466  1.00  0.00           O  
ATOM    180  ND2 ASN A  13      10.693  -1.639   3.142  1.00  0.00           N  
ATOM    181  H   ASN A  13      11.744   1.120  -0.696  1.00  0.00           H  
ATOM    182  HA  ASN A  13      12.893  -0.044   1.667  1.00  0.00           H  
ATOM    183  HB2 ASN A  13      10.450   0.093   1.169  1.00  0.00           H  
ATOM    184  HB3 ASN A  13      10.624  -1.073  -0.122  1.00  0.00           H  
ATOM    185 HD21 ASN A  13      10.785  -0.650   3.397  1.00  0.00           H  
ATOM    186 HD22 ASN A  13      10.514  -2.424   3.779  1.00  0.00           H  
ATOM    187  N   PRO A  14      14.317  -2.225   0.885  1.00  0.00           N  
ATOM    188  CA  PRO A  14      15.175  -3.329   0.403  1.00  0.00           C  
ATOM    189  C   PRO A  14      14.450  -4.571  -0.181  1.00  0.00           C  
ATOM    190  O   PRO A  14      13.577  -5.170   0.449  1.00  0.00           O  
ATOM    191  CB  PRO A  14      16.117  -3.663   1.559  1.00  0.00           C  
ATOM    192  CG  PRO A  14      15.528  -2.945   2.730  1.00  0.00           C  
ATOM    193  CD  PRO A  14      14.874  -1.727   2.143  1.00  0.00           C  
ATOM    194  HA  PRO A  14      15.870  -2.858  -0.279  1.00  0.00           H  
ATOM    195  HB2 PRO A  14      16.290  -4.740   1.745  1.00  0.00           H  
ATOM    196  HB3 PRO A  14      17.085  -3.166   1.407  1.00  0.00           H  
ATOM    197  HG2 PRO A  14      14.759  -3.556   3.182  1.00  0.00           H  
ATOM    198  HG3 PRO A  14      16.314  -2.688   3.441  1.00  0.00           H  
ATOM    199  HD2 PRO A  14      14.156  -1.325   2.848  1.00  0.00           H  
ATOM    200  HD3 PRO A  14      15.647  -0.986   1.933  1.00  0.00           H  
HETATM  201  N   NH2 A  15      14.800  -4.975  -1.393  1.00  0.00           N  
HETATM  202  HN1 NH2 A  15      14.310  -5.797  -1.763  1.00  0.00           H  
HETATM  203  HN2 NH2 A  15      15.533  -4.433  -1.864  1.00  0.00           H  
TER     204      NH2 A  15                                                      
CONECT  189  201                                                                
CONECT  201  189  202  203                                                      
CONECT  202  201                                                                
CONECT  203  201                                                                
MASTER      109    0    1    0    0    0    0    6  105    1    4    2          
END