HEADER    DE NOVO PROTEIN                         06-JAN-12   2LNY              
TITLE     SHB PEPTIDE STRUCTURE BOUND TO NEGATIVELY CHARGED LIPID-BILAYER AFTER 
TITLE    2 MOLECULAR DYNAMICS REFINEMENT                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SHB PEPTIDE;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE;                                
SOURCE   3 ORGANISM_TAXID: 32630;                                               
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PMAL                                       
KEYWDS    DE NOVO-PEPTIDE, N-TYPE INACTIVATION, POTASSIUM CHANNEL, DE NOVO      
KEYWDS   2 PROTEIN                                                              
EXPDTA    SOLID-STATE NMR                                                       
AUTHOR    M.WEINGARTH                                                           
REVDAT   2   14-JUN-23 2LNY    1       REMARK                                   
REVDAT   1   08-AUG-12 2LNY    0                                                
JRNL        AUTH   M.WEINGARTH,C.ADER,A.J.MELQUIOND,D.NAND,O.PONGS,S.BECKER,    
JRNL        AUTH 2 A.M.BONVIN,M.BALDUS                                          
JRNL        TITL   SUPRAMOLECULAR STRUCTURE OF MEMBRANE-ASSOCIATED POLYPEPTIDES 
JRNL        TITL 2 BY COMBINING SOLID-STATE NMR AND MOLECULAR DYNAMICS          
JRNL        TITL 3 SIMULATIONS.                                                 
JRNL        REF    BIOPHYS.J.                    V. 103    29 2012              
JRNL        REFN                   ISSN 0006-3495                               
JRNL        PMID   22828329                                                     
JRNL        DOI    10.1016/J.BPJ.2012.05.016                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : GROMOS 53A6, CNS                                     
REMARK   3   AUTHORS     : VAN GUNSTEREN AND BERENDSEN (GROMOS), BRUNGER,       
REMARK   3                 ADAMS, CLORE, GROS, NILGES AND REA (CNS)             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2LNY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JAN-12.                  
REMARK 100 THE DEPOSITION ID IS D_1000102616.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 277-283                            
REMARK 210  PH                             : 4.0                                
REMARK 210  IONIC STRENGTH                 : 0.3                                
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : 7 MM DOPC, 3 MM CARDIOLIPIN,       
REMARK 210                                   H2O/LIPID                          
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 13C-13C PARISXY; 13C-13C PDSD;     
REMARK 210                                   SPECIFIC-NCA; SPECIFIC-NCO; CHHC;  
REMARK 210                                   NHHC                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 700 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : SIMULATED ANNEALING, MOLECULAR     
REMARK 210                                   DYNAMICS                           
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1                                  
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 217                                                                      
REMARK 217 SOLID STATE NMR STUDY                                                
REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID              
REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT           
REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 217 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    TYR A   8   CB  -  CG  -  CD2 ANGL. DEV. =  -8.2 DEGREES          
REMARK 500    TYR A   8   CD1 -  CG  -  CD2 ANGL. DEV. =   7.0 DEGREES          
REMARK 500    TYR A   8   CG  -  CD1 -  CE1 ANGL. DEV. =  -5.2 DEGREES          
REMARK 500    TYR A   8   CG  -  CD2 -  CE2 ANGL. DEV. =  -7.6 DEGREES          
REMARK 500    TYR A   8   CZ  -  CE2 -  CD2 ANGL. DEV. =   6.1 DEGREES          
REMARK 500    ARG A  14   NE  -  CZ  -  NH1 ANGL. DEV. =   5.8 DEGREES          
REMARK 500    ARG A  14   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.7 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    VAL A   4       77.80   -108.59                                   
REMARK 500    GLU A  12      119.93   -166.28                                   
REMARK 500    ARG A  14       61.13   -109.63                                   
REMARK 500    ARG A  17      108.40    -50.27                                   
REMARK 500    LYS A  18       66.72     62.82                                   
REMARK 500    LYS A  19       91.62     39.32                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 18184   RELATED DB: BMRB                                 
DBREF  2LNY A    1    20  PDB    2LNY     2LNY             1     20             
SEQRES   1 A   20  MET ALA ALA VAL ALA GLY LEU TYR GLY LEU GLY GLU ASP          
SEQRES   2 A   20  ARG GLN HIS ARG LYS LYS GLN                                  
SHEET    1   A 2 ALA A   2  ALA A   5  0                                        
SHEET    2   A 2 TYR A   8  GLY A  11 -1  O  LEU A  10   N  ALA A   3           
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      33.190  17.860  47.150  1.00  0.00           N  
ATOM      2  CA  MET A   1      32.810  19.260  47.390  1.00  0.00           C  
ATOM      3  C   MET A   1      33.650  20.230  46.550  1.00  0.00           C  
ATOM      4  O   MET A   1      34.830  20.330  46.880  1.00  0.00           O  
ATOM      5  CB  MET A   1      32.790  19.600  48.880  1.00  0.00           C  
ATOM      6  CG  MET A   1      32.540  21.090  49.160  1.00  0.00           C  
ATOM      7  SD  MET A   1      31.010  21.780  48.430  1.00  0.00           S  
ATOM      8  CE  MET A   1      29.760  21.440  49.640  1.00  0.00           C  
ATOM      9  H1  MET A   1      32.630  17.180  47.610  1.00  0.00           H  
ATOM     10  H2  MET A   1      33.230  17.810  46.150  1.00  0.00           H  
ATOM     11  H3  MET A   1      34.140  17.690  47.430  1.00  0.00           H  
ATOM     12  N   ALA A   2      33.000  20.780  45.530  1.00  0.00           N  
ATOM     13  CA  ALA A   2      33.760  21.770  44.740  1.00  0.00           C  
ATOM     14  C   ALA A   2      32.850  22.940  44.370  1.00  0.00           C  
ATOM     15  O   ALA A   2      32.710  23.400  43.240  1.00  0.00           O  
ATOM     16  CB  ALA A   2      34.240  21.040  43.480  1.00  0.00           C  
ATOM     17  H   ALA A   2      32.020  20.890  45.360  1.00  0.00           H  
ATOM     18  N   ALA A   3      32.350  23.620  45.400  1.00  0.00           N  
ATOM     19  CA  ALA A   3      31.560  24.860  45.240  1.00  0.00           C  
ATOM     20  C   ALA A   3      32.510  26.060  45.220  1.00  0.00           C  
ATOM     21  O   ALA A   3      32.800  26.850  46.110  1.00  0.00           O  
ATOM     22  CB  ALA A   3      30.590  25.080  46.400  1.00  0.00           C  
ATOM     23  H   ALA A   3      32.450  23.400  46.370  1.00  0.00           H  
ATOM     24  N   VAL A   4      33.170  26.170  44.080  1.00  0.00           N  
ATOM     25  CA  VAL A   4      34.210  27.160  43.760  1.00  0.00           C  
ATOM     26  C   VAL A   4      33.650  28.180  42.750  1.00  0.00           C  
ATOM     27  O   VAL A   4      33.900  28.190  41.550  1.00  0.00           O  
ATOM     28  CB  VAL A   4      35.540  26.500  43.400  1.00  0.00           C  
ATOM     29  CG1 VAL A   4      36.120  25.800  44.630  1.00  0.00           C  
ATOM     30  CG2 VAL A   4      35.230  25.480  42.310  1.00  0.00           C  
ATOM     31  H   VAL A   4      33.010  25.530  43.320  1.00  0.00           H  
ATOM     32  N   ALA A   5      32.870  29.050  43.390  1.00  0.00           N  
ATOM     33  CA  ALA A   5      32.070  30.070  42.700  1.00  0.00           C  
ATOM     34  C   ALA A   5      32.650  31.430  43.110  1.00  0.00           C  
ATOM     35  O   ALA A   5      31.880  32.330  43.430  1.00  0.00           O  
ATOM     36  CB  ALA A   5      30.620  29.970  43.180  1.00  0.00           C  
ATOM     37  H   ALA A   5      32.680  29.020  44.370  1.00  0.00           H  
ATOM     38  N   GLY A   6      33.950  31.660  43.210  1.00  0.00           N  
ATOM     39  CA  GLY A   6      34.690  32.900  43.520  1.00  0.00           C  
ATOM     40  C   GLY A   6      34.430  33.590  44.860  1.00  0.00           C  
ATOM     41  O   GLY A   6      35.120  33.310  45.840  1.00  0.00           O  
ATOM     42  H   GLY A   6      34.520  30.860  43.010  1.00  0.00           H  
ATOM     43  N   LEU A   7      33.260  34.210  44.940  1.00  0.00           N  
ATOM     44  CA  LEU A   7      32.930  34.860  46.210  1.00  0.00           C  
ATOM     45  C   LEU A   7      32.570  33.850  47.300  1.00  0.00           C  
ATOM     46  O   LEU A   7      32.500  34.240  48.460  1.00  0.00           O  
ATOM     47  CB  LEU A   7      31.700  35.770  46.120  1.00  0.00           C  
ATOM     48  CG  LEU A   7      31.990  37.120  45.450  1.00  0.00           C  
ATOM     49  CD1 LEU A   7      30.650  37.810  45.200  1.00  0.00           C  
ATOM     50  CD2 LEU A   7      32.870  37.900  46.430  1.00  0.00           C  
ATOM     51  H   LEU A   7      32.520  34.130  44.260  1.00  0.00           H  
ATOM     52  N   TYR A   8      32.100  32.680  46.870  1.00  0.00           N  
ATOM     53  CA  TYR A   8      32.010  31.470  47.710  1.00  0.00           C  
ATOM     54  C   TYR A   8      32.850  30.390  47.030  1.00  0.00           C  
ATOM     55  O   TYR A   8      32.440  29.770  46.050  1.00  0.00           O  
ATOM     56  CB  TYR A   8      30.550  31.030  47.770  1.00  0.00           C  
ATOM     57  CG  TYR A   8      30.290  29.870  48.740  1.00  0.00           C  
ATOM     58  CD1 TYR A   8      30.460  28.540  48.350  1.00  0.00           C  
ATOM     59  CD2 TYR A   8      29.690  30.280  49.920  1.00  0.00           C  
ATOM     60  CE1 TYR A   8      30.170  27.580  49.310  1.00  0.00           C  
ATOM     61  CE2 TYR A   8      29.350  29.230  50.770  1.00  0.00           C  
ATOM     62  CZ  TYR A   8      29.560  27.880  50.520  1.00  0.00           C  
ATOM     63  OH  TYR A   8      29.240  26.890  51.400  1.00  0.00           O  
ATOM     64  H   TYR A   8      31.700  32.610  45.960  1.00  0.00           H  
ATOM     65  HD1 TYR A   8      30.740  28.210  47.350  1.00  0.00           H  
ATOM     66  HD2 TYR A   8      29.650  31.330  50.200  1.00  0.00           H  
ATOM     67  HE1 TYR A   8      30.220  26.560  48.920  1.00  0.00           H  
ATOM     68  HE2 TYR A   8      28.740  29.470  51.640  1.00  0.00           H  
ATOM     69  HH  TYR A   8      29.340  27.230  52.330  1.00  0.00           H  
ATOM     70  N   GLY A   9      34.090  30.330  47.500  1.00  0.00           N  
ATOM     71  CA  GLY A   9      35.150  29.360  47.180  1.00  0.00           C  
ATOM     72  C   GLY A   9      35.400  28.200  48.130  1.00  0.00           C  
ATOM     73  O   GLY A   9      36.220  28.400  49.030  1.00  0.00           O  
ATOM     74  H   GLY A   9      34.450  31.050  48.090  1.00  0.00           H  
ATOM     75  N   LEU A  10      34.480  27.240  48.110  1.00  0.00           N  
ATOM     76  CA  LEU A  10      34.520  26.080  49.000  1.00  0.00           C  
ATOM     77  C   LEU A  10      34.730  24.710  48.330  1.00  0.00           C  
ATOM     78  O   LEU A  10      33.840  24.030  47.830  1.00  0.00           O  
ATOM     79  CB  LEU A  10      33.240  26.050  49.830  1.00  0.00           C  
ATOM     80  CG  LEU A  10      33.530  25.660  51.280  1.00  0.00           C  
ATOM     81  CD1 LEU A  10      32.280  25.760  52.160  1.00  0.00           C  
ATOM     82  CD2 LEU A  10      34.130  24.250  51.380  1.00  0.00           C  
ATOM     83  H   LEU A  10      33.750  27.240  47.420  1.00  0.00           H  
ATOM     84  N   GLY A  11      36.000  24.320  48.360  1.00  0.00           N  
ATOM     85  CA  GLY A  11      36.470  23.070  47.740  1.00  0.00           C  
ATOM     86  C   GLY A  11      37.090  22.130  48.770  1.00  0.00           C  
ATOM     87  O   GLY A  11      37.960  22.530  49.540  1.00  0.00           O  
ATOM     88  H   GLY A  11      36.700  24.920  48.740  1.00  0.00           H  
ATOM     89  N   GLU A  12      36.630  20.880  48.740  1.00  0.00           N  
ATOM     90  CA  GLU A  12      37.110  19.840  49.660  1.00  0.00           C  
ATOM     91  C   GLU A  12      36.780  18.370  49.370  1.00  0.00           C  
ATOM     92  O   GLU A  12      35.660  17.950  49.070  1.00  0.00           O  
ATOM     93  CB  GLU A  12      36.580  20.070  51.070  1.00  0.00           C  
ATOM     94  CG  GLU A  12      37.310  19.440  52.260  1.00  0.00           C  
ATOM     95  CD  GLU A  12      36.510  19.700  53.530  1.00  0.00           C  
ATOM     96  OE1 GLU A  12      35.900  20.780  53.700  1.00  0.00           O  
ATOM     97  OE2 GLU A  12      36.320  18.740  54.310  1.00  0.00           O1-
ATOM     98  H   GLU A  12      35.960  20.590  48.060  1.00  0.00           H  
ATOM     99  N   ASP A  13      37.860  17.620  49.210  1.00  0.00           N  
ATOM    100  CA  ASP A  13      37.790  16.170  49.010  1.00  0.00           C  
ATOM    101  C   ASP A  13      37.400  15.470  50.320  1.00  0.00           C  
ATOM    102  O   ASP A  13      37.940  15.750  51.390  1.00  0.00           O  
ATOM    103  CB  ASP A  13      39.190  15.690  48.630  1.00  0.00           C  
ATOM    104  CG  ASP A  13      39.100  14.160  48.620  1.00  0.00           C  
ATOM    105  OD1 ASP A  13      38.770  13.650  47.530  1.00  0.00           O  
ATOM    106  OD2 ASP A  13      39.550  13.490  49.580  1.00  0.00           O1-
ATOM    107  H   ASP A  13      38.730  18.060  49.430  1.00  0.00           H  
ATOM    108  N   ARG A  14      36.240  14.840  50.200  1.00  0.00           N  
ATOM    109  CA  ARG A  14      35.750  13.950  51.270  1.00  0.00           C  
ATOM    110  C   ARG A  14      35.820  12.500  50.780  1.00  0.00           C  
ATOM    111  O   ARG A  14      34.820  11.790  50.700  1.00  0.00           O  
ATOM    112  CB  ARG A  14      34.300  14.380  51.500  1.00  0.00           C  
ATOM    113  CG  ARG A  14      33.850  14.130  52.940  1.00  0.00           C  
ATOM    114  CD  ARG A  14      32.370  14.430  53.230  1.00  0.00           C  
ATOM    115  NE  ARG A  14      32.170  15.840  53.580  1.00  0.00           N  
ATOM    116  CZ  ARG A  14      30.950  16.400  53.640  1.00  0.00           C  
ATOM    117  NH1 ARG A  14      29.790  15.790  53.380  1.00  0.00           N1+
ATOM    118  NH2 ARG A  14      30.890  17.660  54.090  1.00  0.00           N  
ATOM    119  H   ARG A  14      35.790  14.760  49.310  1.00  0.00           H  
ATOM    120  HE  ARG A  14      32.970  16.350  53.890  1.00  0.00           H  
ATOM    121 HH11 ARG A  14      29.700  14.820  53.150  1.00  0.00           H  
ATOM    122 HH12 ARG A  14      28.990  16.360  53.580  1.00  0.00           H  
ATOM    123 HH21 ARG A  14      31.720  18.180  54.300  1.00  0.00           H  
ATOM    124 HH22 ARG A  14      30.000  18.050  54.340  1.00  0.00           H  
ATOM    125  N   GLN A  15      36.960  11.910  50.430  1.00  0.00           N  
ATOM    126  CA  GLN A  15      37.150  10.490  50.100  1.00  0.00           C  
ATOM    127  C   GLN A  15      36.990   9.600  51.330  1.00  0.00           C  
ATOM    128  O   GLN A  15      37.370   9.990  52.430  1.00  0.00           O  
ATOM    129  CB  GLN A  15      38.470  10.330  49.340  1.00  0.00           C  
ATOM    130  CG  GLN A  15      39.720  10.030  50.160  1.00  0.00           C  
ATOM    131  CD  GLN A  15      40.970   9.940  49.270  1.00  0.00           C  
ATOM    132  OE1 GLN A  15      41.740  10.870  49.050  1.00  0.00           O  
ATOM    133  NE2 GLN A  15      41.390   8.760  48.840  1.00  0.00           N  
ATOM    134  H   GLN A  15      37.830  12.390  50.340  1.00  0.00           H  
ATOM    135 HE21 GLN A  15      40.850   7.910  48.780  1.00  0.00           H  
ATOM    136 HE22 GLN A  15      42.300   8.650  48.440  1.00  0.00           H  
ATOM    137  N   HIS A  16      36.680   8.330  51.080  1.00  0.00           N  
ATOM    138  CA  HIS A  16      36.340   7.400  52.170  1.00  0.00           C  
ATOM    139  C   HIS A  16      37.630   6.730  52.630  1.00  0.00           C  
ATOM    140  O   HIS A  16      37.780   5.510  52.620  1.00  0.00           O  
ATOM    141  CB  HIS A  16      35.310   6.370  51.700  1.00  0.00           C  
ATOM    142  CG  HIS A  16      33.960   7.060  51.540  1.00  0.00           C  
ATOM    143  ND1 HIS A  16      32.850   6.670  52.170  1.00  0.00           N  
ATOM    144  CD2 HIS A  16      33.630   7.940  50.590  1.00  0.00           C  
ATOM    145  CE1 HIS A  16      31.830   7.410  51.750  1.00  0.00           C  
ATOM    146  NE2 HIS A  16      32.330   8.160  50.780  1.00  0.00           N  
ATOM    147  H   HIS A  16      36.960   7.830  50.250  1.00  0.00           H  
ATOM    148  HD1 HIS A  16      32.720   5.840  52.720  1.00  0.00           H  
ATOM    149  HD2 HIS A  16      34.220   8.450  49.830  1.00  0.00           H  
ATOM    150  HE1 HIS A  16      30.840   7.520  52.210  1.00  0.00           H  
ATOM    151  HE2 HIS A  16      31.820   8.760  50.170  1.00  0.00           H  
ATOM    152  N   ARG A  17      38.430   7.580  53.270  1.00  0.00           N  
ATOM    153  CA  ARG A  17      39.720   7.170  53.850  1.00  0.00           C  
ATOM    154  C   ARG A  17      39.710   5.930  54.750  1.00  0.00           C  
ATOM    155  O   ARG A  17      39.120   5.940  55.830  1.00  0.00           O  
ATOM    156  CB  ARG A  17      40.470   8.280  54.580  1.00  0.00           C  
ATOM    157  CG  ARG A  17      40.900   9.430  53.660  1.00  0.00           C  
ATOM    158  CD  ARG A  17      42.400   9.320  53.390  1.00  0.00           C  
ATOM    159  NE  ARG A  17      42.890  10.600  52.850  1.00  0.00           N  
ATOM    160  CZ  ARG A  17      44.100  10.790  52.300  1.00  0.00           C  
ATOM    161  NH1 ARG A  17      45.060   9.870  52.380  1.00  0.00           N1+
ATOM    162  NH2 ARG A  17      44.330  11.960  51.700  1.00  0.00           N  
ATOM    163  H   ARG A  17      38.190   8.520  53.490  1.00  0.00           H  
ATOM    164  HE  ARG A  17      42.250  11.350  53.000  1.00  0.00           H  
ATOM    165 HH11 ARG A  17      44.930   8.990  52.850  1.00  0.00           H  
ATOM    166 HH12 ARG A  17      45.910   9.870  51.860  1.00  0.00           H  
ATOM    167 HH21 ARG A  17      43.630  12.580  51.350  1.00  0.00           H  
ATOM    168 HH22 ARG A  17      45.250  12.350  51.700  1.00  0.00           H  
ATOM    169  N   LYS A  18      40.290   4.880  54.180  1.00  0.00           N  
ATOM    170  CA  LYS A  18      40.630   3.610  54.840  1.00  0.00           C  
ATOM    171  C   LYS A  18      39.390   2.880  55.350  1.00  0.00           C  
ATOM    172  O   LYS A  18      39.220   2.360  56.450  1.00  0.00           O  
ATOM    173  CB  LYS A  18      41.690   3.770  55.930  1.00  0.00           C  
ATOM    174  CG  LYS A  18      42.980   4.260  55.270  1.00  0.00           C  
ATOM    175  CD  LYS A  18      44.110   4.550  56.270  1.00  0.00           C  
ATOM    176  CE  LYS A  18      44.750   3.220  56.680  1.00  0.00           C  
ATOM    177  NZ  LYS A  18      46.040   3.440  57.340  1.00  0.00           N1+
ATOM    178  H   LYS A  18      40.570   4.910  53.220  1.00  0.00           H  
ATOM    179  HZ1 LYS A  18      46.210   2.620  57.880  1.00  0.00           H  
ATOM    180  HZ2 LYS A  18      46.730   3.590  56.630  1.00  0.00           H  
ATOM    181  HZ3 LYS A  18      46.040   4.210  57.980  1.00  0.00           H  
ATOM    182  N   LYS A  19      38.610   2.460  54.350  1.00  0.00           N  
ATOM    183  CA  LYS A  19      37.250   1.950  54.550  1.00  0.00           C  
ATOM    184  C   LYS A  19      36.400   2.680  55.600  1.00  0.00           C  
ATOM    185  O   LYS A  19      36.320   2.290  56.760  1.00  0.00           O  
ATOM    186  CB  LYS A  19      37.300   0.430  54.690  1.00  0.00           C  
ATOM    187  CG  LYS A  19      37.350  -0.306  53.350  1.00  0.00           C  
ATOM    188  CD  LYS A  19      37.810  -1.746  53.600  1.00  0.00           C  
ATOM    189  CE  LYS A  19      37.440  -2.626  52.410  1.00  0.00           C  
ATOM    190  NZ  LYS A  19      37.320  -4.016  52.870  1.00  0.00           N1+
ATOM    191  H   LYS A  19      38.920   2.390  53.400  1.00  0.00           H  
ATOM    192  HZ1 LYS A  19      37.310  -4.686  52.120  1.00  0.00           H  
ATOM    193  HZ2 LYS A  19      38.160  -4.156  53.390  1.00  0.00           H  
ATOM    194  HZ3 LYS A  19      36.590  -4.126  53.540  1.00  0.00           H  
ATOM    195  N   GLN A  20      35.670   3.670  55.090  1.00  0.00           N  
ATOM    196  CA  GLN A  20      34.580   4.450  55.700  1.00  0.00           C  
ATOM    197  C   GLN A  20      33.420   4.220  54.740  1.00  0.00           C  
ATOM    198  O   GLN A  20      33.700   4.290  53.520  1.00  0.00           O  
ATOM    199  CB  GLN A  20      35.050   5.900  55.590  1.00  0.00           C  
ATOM    200  CG  GLN A  20      34.240   6.910  56.410  1.00  0.00           C  
ATOM    201  CD  GLN A  20      34.470   8.360  55.990  1.00  0.00           C  
ATOM    202  OE1 GLN A  20      34.240   8.750  54.850  1.00  0.00           O  
ATOM    203  NE2 GLN A  20      35.320   9.000  56.780  1.00  0.00           N  
ATOM    204  OXT GLN A  20      32.360   3.740  55.190  1.00  0.00           O  
ATOM    205  H   GLN A  20      35.900   3.960  54.160  1.00  0.00           H  
ATOM    206 HE21 GLN A  20      35.690   8.610  57.630  1.00  0.00           H  
ATOM    207 HE22 GLN A  20      35.610   9.940  56.610  1.00  0.00           H  
TER     208      GLN A  20                                                      
MASTER      119    0    0    0    2    0    0    6  156    1    0    2          
END