HEADER    PROTEIN BINDING                         11-FEB-08   2K0P              
TITLE     DETERMINATION OF A PROTEIN STRUCTURE IN THE SOLID STATE FROM NMR      
TITLE    2 CHEMICAL SHIFTS                                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: IMMUNOGLOBULIN G-BINDING PROTEIN G;                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: GB1;                                                       
COMPND   5 SYNONYM: IGG-BINDING PROTEIN G;                                      
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. GROUP G;                      
SOURCE   3 GENE: SPG;                                                           
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    SOLID-STATE, CHEMICAL SHIFT RESTRAINTS, GB1, CELL WALL, IGG-BINDING   
KEYWDS   2 PROTEIN, PEPTIDOGLYCAN-ANCHOR, SECRETED, PROTEIN BINDING             
EXPDTA    SOLID-STATE NMR                                                       
AUTHOR    P.ROBUSTELLI,A.CAVALLI,X.SALVATELLA,M.VENDRUSCOLO                     
REVDAT   2   20-OCT-21 2K0P    1       REMARK SEQADV                            
REVDAT   1   03-MAR-09 2K0P    0                                                
JRNL        AUTH   P.ROBUSTELLI,A.CAVALLI,M.VENDRUSCOLO                         
JRNL        TITL   DETERMINATION OF PROTEIN STRUCTURES IN THE SOLID STATE FROM  
JRNL        TITL 2 NMR CHEMICAL SHIFTS.                                         
JRNL        REF    STRUCTURE                     V.  16  1764 2008              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   19081052                                                     
JRNL        DOI    10.1016/J.STR.2008.10.016                                    
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   D.H.ZHOU,J.J.SHEA,A.J.NIEUWKOOP,W.T.FRANKS,B.J.WYLIE,        
REMARK   1  AUTH 2 C.MULLEN,D.SANDOZ,C.M.RIENSTRA                               
REMARK   1  TITL   SOLID-STATE PROTEIN-STRUCTURE DETERMINATION WITH             
REMARK   1  TITL 2 PROTON-DETECTED TRIPLE-RESONANCE 3D MAGIC-ANGLE-SPINNING NMR 
REMARK   1  TITL 3 SPECTROSCOPY.                                                
REMARK   1  REF    ANGEW.CHEM.INT.ED.ENGL.       V.  46  8380 2007              
REMARK   1  REFN                   ISSN 1433-7851                               
REMARK   1  PMID   17907259                                                     
REMARK   1  DOI    10.1002/ANIE.200702905                                       
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   D.H.ZHOU,G.SHAH,M.CORMOS,C.MULLEN,D.SANDOZ,C.M.RIENSTRA      
REMARK   1  TITL   PROTON-DETECTED SOLID-STATE NMR SPECTROSCOPY OF FULLY        
REMARK   1  TITL 2 PROTONATED PROTEINS AT 40 KHZ MAGIC-ANGLE SPINNING.          
REMARK   1  REF    J.AM.CHEM.SOC.                V. 129 11791 2007              
REMARK   1  REFN                   ISSN 0002-7863                               
REMARK   1  PMID   17725352                                                     
REMARK   1  DOI    10.1021/JA073462M                                            
REMARK   1 REFERENCE 3                                                          
REMARK   1  AUTH   A.CAVALLI,X.SALVATELLA,C.M.DOBSON,M.VENDRUSCOLO              
REMARK   1  TITL   PROTEIN STRUCTURE DETERMINATION FROM NMR CHEMICAL SHIFTS.    
REMARK   1  REF    PROC.NATL.ACAD.SCI.USA        V. 104  9615 2007              
REMARK   1  REFN                   ISSN 0027-8424                               
REMARK   1  PMID   17535901                                                     
REMARK   1  DOI    10.1073/PNAS.0610313104                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ALMOST 1.0.0, ALMOST 1.0.0                           
REMARK   3   AUTHORS     : CAVALLI, A. ET AL. (ALMOST), CAVALLI, A. ET AL.      
REMARK   3                 (ALMOST)                                             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: STRUCTURE SELECTION AND REFINEMENT WERE   
REMARK   3  PERFORMED ACCORDING TO CHESHIRE PROTOCOL FOR CALCULATION OF         
REMARK   3  STRUCTURES FROM NMR CHEMICAL SHIFTS (CAVALLI ET AL., 2007, PNAS,    
REMARK   3  104, 9615-9620)                                                     
REMARK   4                                                                      
REMARK   4 2K0P COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-FEB-08.                  
REMARK 100 THE DEPOSITION ID IS D_1000100528.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 278                                
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 10 MG/ML [U-100% 13C; U-100%       
REMARK 210                                   15N] GB1, 0.5 V/V METHYL PENTANE   
REMARK 210                                   DIOL, 0.25 V/V ISOPROPANOL         
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D CC DARR MIXING; 2D N(CA)CX;     
REMARK 210                                   2D N(CO)CX; 3D NCACX; 3D NCOCX;    
REMARK 210                                   3D CAN(COCX); 2D CC SPC5 DQ        
REMARK 210                                   MIXING                             
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 750 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INFINITY PLUS; INOVA               
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : MD/MC HYBRID REFINMENT AGAINST     
REMARK 210                                   TARGET FUCTION WEIGHTED BY         
REMARK 210                                   CHEMICAL SHIFT ACCURACY AND A      
REMARK 210                                   MOLECULAR MECHANICS FORCE FIELD    
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1500                               
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: FOR EXPERIMENTAL DATA SEE BMRB ENTRY 15156                   
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  33   CB  -  CG  -  CD2 ANGL. DEV. =  -4.0 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    LYS A  10      -84.66     51.43                                   
REMARK 500    VAL A  21      -63.26     66.29                                   
REMARK 500    ALA A  23      -57.27     -7.21                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    TYR A   3         0.09    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2JU6   RELATED DB: PDB                                   
REMARK 900 SOLID-STATE NMR STRUCTURE                                            
DBREF  2K0P A    2    56  UNP    P06654   SPG1_STRSG     228    282             
SEQADV 2K0P MET A    1  UNP  P06654              INITIATING METHIONINE          
SEQADV 2K0P GLN A    2  UNP  P06654    THR   228 ENGINEERED MUTATION            
SEQRES   1 A   56  MET GLN TYR LYS LEU ILE LEU ASN GLY LYS THR LEU LYS          
SEQRES   2 A   56  GLY GLU THR THR THR GLU ALA VAL ASP ALA ALA THR ALA          
SEQRES   3 A   56  GLU LYS VAL PHE LYS GLN TYR ALA ASN ASP ASN GLY VAL          
SEQRES   4 A   56  ASP GLY GLU TRP THR TYR ASP ASP ALA THR LYS THR PHE          
SEQRES   5 A   56  THR VAL THR GLU                                              
HELIX    1   1 ASP A   22  GLY A   38  1                                  17    
SHEET    1   A 4 LEU A  12  THR A  18  0                                        
SHEET    2   A 4 TYR A   3  GLY A   9 -1  N  LEU A   7   O  GLY A  14           
SHEET    3   A 4 THR A  51  THR A  55  1  O  VAL A  54   N  ILE A   6           
SHEET    4   A 4 GLU A  42  ASP A  46 -1  N  GLU A  42   O  THR A  55           
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      -8.399   6.540   1.651  1.00  0.00           N  
ATOM      2  CA  MET A   1      -7.190   5.759   1.509  1.00  0.00           C  
ATOM      3  C   MET A   1      -5.997   6.685   1.637  1.00  0.00           C  
ATOM      4  O   MET A   1      -6.089   7.905   1.586  1.00  0.00           O  
ATOM      5  CB  MET A   1      -7.129   5.029   0.158  1.00  0.00           C  
ATOM      6  CG  MET A   1      -8.457   4.287  -0.141  1.00  0.00           C  
ATOM      7  SD  MET A   1      -8.848   2.915   1.023  1.00  0.00           S  
ATOM      8  CE  MET A   1      -8.606   1.552  -0.125  1.00  0.00           C  
ATOM      9  H1  MET A   1      -9.238   5.982   1.910  1.00  0.00           H  
ATOM     10  H2  MET A   1      -8.631   7.049   0.775  1.00  0.00           H  
ATOM     11  H3  MET A   1      -8.187   7.308   2.320  1.00  0.00           H  
ATOM     12  N   GLN A   2      -4.813   6.128   1.826  1.00  0.00           N  
ATOM     13  CA  GLN A   2      -3.543   6.804   1.857  1.00  0.00           C  
ATOM     14  C   GLN A   2      -2.739   6.488   0.604  1.00  0.00           C  
ATOM     15  O   GLN A   2      -2.518   5.308   0.352  1.00  0.00           O  
ATOM     16  CB  GLN A   2      -2.707   6.438   3.097  1.00  0.00           C  
ATOM     17  CG  GLN A   2      -3.197   7.090   4.354  1.00  0.00           C  
ATOM     18  CD  GLN A   2      -2.534   6.496   5.578  1.00  0.00           C  
ATOM     19  OE1 GLN A   2      -1.769   5.536   5.582  1.00  0.00           O  
ATOM     20  NE2 GLN A   2      -2.792   7.126   6.721  1.00  0.00           N  
ATOM     21  H   GLN A   2      -4.800   5.157   1.961  1.00  0.00           H  
ATOM     22 HE21 GLN A   2      -3.372   7.906   6.846  1.00  0.00           H  
ATOM     23 HE22 GLN A   2      -2.298   6.701   7.453  1.00  0.00           H  
ATOM     24  N   TYR A   3      -2.213   7.512  -0.049  1.00  0.00           N  
ATOM     25  CA  TYR A   3      -1.579   7.253  -1.346  1.00  0.00           C  
ATOM     26  C   TYR A   3      -0.134   7.634  -1.381  1.00  0.00           C  
ATOM     27  O   TYR A   3       0.265   8.631  -0.825  1.00  0.00           O  
ATOM     28  CB  TYR A   3      -2.367   7.948  -2.427  1.00  0.00           C  
ATOM     29  CG  TYR A   3      -3.730   7.423  -2.834  1.00  0.00           C  
ATOM     30  CD1 TYR A   3      -3.787   6.291  -3.653  1.00  0.00           C  
ATOM     31  CD2 TYR A   3      -4.892   8.113  -2.484  1.00  0.00           C  
ATOM     32  CE1 TYR A   3      -5.007   6.028  -4.274  1.00  0.00           C  
ATOM     33  CE2 TYR A   3      -6.099   7.729  -3.059  1.00  0.00           C  
ATOM     34  CZ  TYR A   3      -6.145   6.708  -3.994  1.00  0.00           C  
ATOM     35  OH  TYR A   3      -7.303   6.337  -4.592  1.00  0.00           O  
ATOM     36  H   TYR A   3      -2.143   8.410   0.337  1.00  0.00           H  
ATOM     37  HH  TYR A   3      -7.090   5.788  -5.349  1.00  0.00           H  
ATOM     38  N   LYS A   4       0.691   6.787  -2.024  1.00  0.00           N  
ATOM     39  CA  LYS A   4       2.128   6.986  -2.175  1.00  0.00           C  
ATOM     40  C   LYS A   4       2.431   7.714  -3.490  1.00  0.00           C  
ATOM     41  O   LYS A   4       1.989   7.269  -4.573  1.00  0.00           O  
ATOM     42  CB  LYS A   4       2.844   5.676  -2.159  1.00  0.00           C  
ATOM     43  CG  LYS A   4       2.752   4.855  -0.873  1.00  0.00           C  
ATOM     44  CD  LYS A   4       3.540   3.536  -0.865  1.00  0.00           C  
ATOM     45  CE  LYS A   4       3.226   2.621   0.334  1.00  0.00           C  
ATOM     46  NZ  LYS A   4       4.063   1.421   0.381  1.00  0.00           N  
ATOM     47  H   LYS A   4       0.266   6.060  -2.525  1.00  0.00           H  
ATOM     48  HZ1 LYS A   4       4.038   0.976   1.320  1.00  0.00           H  
ATOM     49  HZ2 LYS A   4       3.709   0.746  -0.327  1.00  0.00           H  
ATOM     50  HZ3 LYS A   4       5.047   1.632   0.120  1.00  0.00           H  
ATOM     51  N   LEU A   5       3.180   8.768  -3.416  1.00  0.00           N  
ATOM     52  CA  LEU A   5       3.652   9.483  -4.590  1.00  0.00           C  
ATOM     53  C   LEU A   5       5.070   9.078  -4.747  1.00  0.00           C  
ATOM     54  O   LEU A   5       5.807   9.185  -3.800  1.00  0.00           O  
ATOM     55  CB  LEU A   5       3.573  11.027  -4.473  1.00  0.00           C  
ATOM     56  CG  LEU A   5       4.175  11.819  -5.619  1.00  0.00           C  
ATOM     57  CD1 LEU A   5       3.447  11.540  -6.925  1.00  0.00           C  
ATOM     58  CD2 LEU A   5       4.069  13.278  -5.323  1.00  0.00           C  
ATOM     59  H   LEU A   5       3.507   9.088  -2.549  1.00  0.00           H  
ATOM     60  N   ILE A   6       5.502   8.499  -5.872  1.00  0.00           N  
ATOM     61  CA  ILE A   6       6.916   8.401  -6.292  1.00  0.00           C  
ATOM     62  C   ILE A   6       7.160   9.543  -7.264  1.00  0.00           C  
ATOM     63  O   ILE A   6       6.560   9.701  -8.317  1.00  0.00           O  
ATOM     64  CB  ILE A   6       7.229   7.063  -6.951  1.00  0.00           C  
ATOM     65  CG1 ILE A   6       6.623   5.928  -6.159  1.00  0.00           C  
ATOM     66  CG2 ILE A   6       8.685   6.892  -7.413  1.00  0.00           C  
ATOM     67  CD1 ILE A   6       6.588   4.599  -6.922  1.00  0.00           C  
ATOM     68  H   ILE A   6       4.862   8.094  -6.494  1.00  0.00           H  
ATOM     69  N   LEU A   7       8.090  10.368  -6.823  1.00  0.00           N  
ATOM     70  CA  LEU A   7       8.673  11.441  -7.632  1.00  0.00           C  
ATOM     71  C   LEU A   7       9.996  10.943  -8.174  1.00  0.00           C  
ATOM     72  O   LEU A   7      10.753  10.336  -7.448  1.00  0.00           O  
ATOM     73  CB  LEU A   7       8.893  12.650  -6.755  1.00  0.00           C  
ATOM     74  CG  LEU A   7       9.121  14.036  -7.350  1.00  0.00           C  
ATOM     75  CD1 LEU A   7       7.806  14.579  -7.875  1.00  0.00           C  
ATOM     76  CD2 LEU A   7       9.684  15.009  -6.299  1.00  0.00           C  
ATOM     77  H   LEU A   7       8.449  10.196  -5.928  1.00  0.00           H  
ATOM     78  N   ASN A   8      10.158  11.005  -9.490  1.00  0.00           N  
ATOM     79  CA  ASN A   8      11.337  10.431 -10.149  1.00  0.00           C  
ATOM     80  C   ASN A   8      12.027  11.423 -11.103  1.00  0.00           C  
ATOM     81  O   ASN A   8      11.747  11.461 -12.305  1.00  0.00           O  
ATOM     82  CB  ASN A   8      10.981   9.087 -10.795  1.00  0.00           C  
ATOM     83  CG  ASN A   8      12.189   8.397 -11.399  1.00  0.00           C  
ATOM     84  OD1 ASN A   8      13.270   8.252 -10.766  1.00  0.00           O  
ATOM     85  ND2 ASN A   8      12.139   7.951 -12.644  1.00  0.00           N  
ATOM     86  H   ASN A   8       9.481  11.370 -10.096  1.00  0.00           H  
ATOM     87 HD21 ASN A   8      11.335   8.135 -13.174  1.00  0.00           H  
ATOM     88 HD22 ASN A   8      12.984   7.599 -12.991  1.00  0.00           H  
ATOM     89  N   GLY A   9      12.963  12.269 -10.606  1.00  0.00           N  
ATOM     90  CA  GLY A   9      13.802  13.072 -11.521  1.00  0.00           C  
ATOM     91  C   GLY A   9      14.171  14.430 -10.987  1.00  0.00           C  
ATOM     92  O   GLY A   9      13.730  14.909  -9.944  1.00  0.00           O  
ATOM     93  H   GLY A   9      13.047  12.401  -9.639  1.00  0.00           H  
ATOM     94  N   LYS A  10      14.988  15.067 -11.822  1.00  0.00           N  
ATOM     95  CA  LYS A  10      15.338  16.479 -11.738  1.00  0.00           C  
ATOM     96  C   LYS A  10      15.832  16.956 -10.381  1.00  0.00           C  
ATOM     97  O   LYS A  10      17.038  17.052 -10.079  1.00  0.00           O  
ATOM     98  CB  LYS A  10      14.146  17.260 -12.290  1.00  0.00           C  
ATOM     99  CG  LYS A  10      14.331  18.761 -12.370  1.00  0.00           C  
ATOM    100  CD  LYS A  10      13.038  19.314 -12.934  1.00  0.00           C  
ATOM    101  CE  LYS A  10      13.027  20.840 -12.933  1.00  0.00           C  
ATOM    102  NZ  LYS A  10      11.742  21.375 -13.330  1.00  0.00           N  
ATOM    103  H   LYS A  10      15.355  14.601 -12.602  1.00  0.00           H  
ATOM    104  HZ1 LYS A  10      11.741  22.403 -13.487  1.00  0.00           H  
ATOM    105  HZ2 LYS A  10      11.485  20.900 -14.219  1.00  0.00           H  
ATOM    106  HZ3 LYS A  10      11.014  21.052 -12.660  1.00  0.00           H  
ATOM    107  N   THR A  11      14.865  17.292  -9.512  1.00  0.00           N  
ATOM    108  CA  THR A  11      15.149  17.774  -8.183  1.00  0.00           C  
ATOM    109  C   THR A  11      15.368  16.582  -7.263  1.00  0.00           C  
ATOM    110  O   THR A  11      16.417  16.441  -6.600  1.00  0.00           O  
ATOM    111  CB  THR A  11      13.993  18.622  -7.635  1.00  0.00           C  
ATOM    112  OG1 THR A  11      13.362  19.207  -8.759  1.00  0.00           O  
ATOM    113  CG2 THR A  11      14.382  19.565  -6.561  1.00  0.00           C  
ATOM    114  H   THR A  11      13.967  16.998  -9.771  1.00  0.00           H  
ATOM    115  HG1 THR A  11      12.828  19.934  -8.430  1.00  0.00           H  
ATOM    116  N   LEU A  12      14.425  15.583  -7.285  1.00  0.00           N  
ATOM    117  CA  LEU A  12      14.506  14.631  -6.206  1.00  0.00           C  
ATOM    118  C   LEU A  12      13.956  13.296  -6.721  1.00  0.00           C  
ATOM    119  O   LEU A  12      13.186  13.252  -7.683  1.00  0.00           O  
ATOM    120  CB  LEU A  12      13.641  15.053  -5.011  1.00  0.00           C  
ATOM    121  CG  LEU A  12      13.891  16.236  -4.118  1.00  0.00           C  
ATOM    122  CD1 LEU A  12      12.614  16.719  -3.465  1.00  0.00           C  
ATOM    123  CD2 LEU A  12      15.030  15.880  -3.086  1.00  0.00           C  
ATOM    124  H   LEU A  12      13.809  15.445  -8.035  1.00  0.00           H  
ATOM    125  N   LYS A  13      14.374  12.190  -6.121  1.00  0.00           N  
ATOM    126  CA  LYS A  13      13.827  10.892  -6.337  1.00  0.00           C  
ATOM    127  C   LYS A  13      13.336  10.398  -4.984  1.00  0.00           C  
ATOM    128  O   LYS A  13      14.125  10.446  -4.027  1.00  0.00           O  
ATOM    129  CB  LYS A  13      14.920   9.966  -6.924  1.00  0.00           C  
ATOM    130  CG  LYS A  13      14.499   8.564  -7.375  1.00  0.00           C  
ATOM    131  CD  LYS A  13      15.639   7.900  -8.150  1.00  0.00           C  
ATOM    132  CE  LYS A  13      15.255   6.443  -8.349  1.00  0.00           C  
ATOM    133  NZ  LYS A  13      16.395   5.694  -8.797  1.00  0.00           N  
ATOM    134  H   LYS A  13      15.099  12.269  -5.467  1.00  0.00           H  
ATOM    135  HZ1 LYS A  13      16.177   4.677  -8.824  1.00  0.00           H  
ATOM    136  HZ2 LYS A  13      16.625   6.066  -9.740  1.00  0.00           H  
ATOM    137  HZ3 LYS A  13      17.189   5.932  -8.169  1.00  0.00           H  
ATOM    138  N   GLY A  14      12.125   9.928  -4.839  1.00  0.00           N  
ATOM    139  CA  GLY A  14      11.675   9.401  -3.539  1.00  0.00           C  
ATOM    140  C   GLY A  14      10.173   9.206  -3.493  1.00  0.00           C  
ATOM    141  O   GLY A  14       9.500   9.466  -4.524  1.00  0.00           O  
ATOM    142  H   GLY A  14      11.506  10.005  -5.594  1.00  0.00           H  
ATOM    143  N   GLU A  15       9.693   8.777  -2.348  1.00  0.00           N  
ATOM    144  CA  GLU A  15       8.335   8.330  -2.150  1.00  0.00           C  
ATOM    145  C   GLU A  15       7.785   9.039  -0.912  1.00  0.00           C  
ATOM    146  O   GLU A  15       8.382   8.988   0.190  1.00  0.00           O  
ATOM    147  CB  GLU A  15       8.200   6.821  -1.908  1.00  0.00           C  
ATOM    148  CG  GLU A  15       8.504   5.882  -3.037  1.00  0.00           C  
ATOM    149  CD  GLU A  15       8.389   4.374  -2.657  1.00  0.00           C  
ATOM    150  OE1 GLU A  15       7.291   3.877  -2.367  1.00  0.00           O  
ATOM    151  OE2 GLU A  15       9.403   3.666  -2.724  1.00  0.00           O  
ATOM    152  H   GLU A  15      10.278   8.723  -1.563  1.00  0.00           H  
ATOM    153  N   THR A  16       6.729   9.767  -1.095  1.00  0.00           N  
ATOM    154  CA  THR A  16       6.100  10.480  -0.008  1.00  0.00           C  
ATOM    155  C   THR A  16       4.621  10.055   0.077  1.00  0.00           C  
ATOM    156  O   THR A  16       3.898  10.018  -0.928  1.00  0.00           O  
ATOM    157  CB  THR A  16       6.262  12.023  -0.163  1.00  0.00           C  
ATOM    158  OG1 THR A  16       6.445  12.291  -1.554  1.00  0.00           O  
ATOM    159  CG2 THR A  16       7.375  12.597   0.709  1.00  0.00           C  
ATOM    160  H   THR A  16       6.425   9.903  -2.016  1.00  0.00           H  
ATOM    161  HG1 THR A  16       6.691  13.216  -1.627  1.00  0.00           H  
ATOM    162  N   THR A  17       4.316   9.656   1.302  1.00  0.00           N  
ATOM    163  CA  THR A  17       3.020   9.223   1.676  1.00  0.00           C  
ATOM    164  C   THR A  17       2.106  10.349   2.095  1.00  0.00           C  
ATOM    165  O   THR A  17       2.421  11.013   3.089  1.00  0.00           O  
ATOM    166  CB  THR A  17       3.168   8.080   2.775  1.00  0.00           C  
ATOM    167  OG1 THR A  17       4.134   7.156   2.270  1.00  0.00           O  
ATOM    168  CG2 THR A  17       1.854   7.307   2.953  1.00  0.00           C  
ATOM    169  H   THR A  17       5.033   9.477   1.946  1.00  0.00           H  
ATOM    170  HG1 THR A  17       4.091   6.280   2.660  1.00  0.00           H  
ATOM    171  N   THR A  18       1.047  10.557   1.279  1.00  0.00           N  
ATOM    172  CA  THR A  18       0.137  11.659   1.574  1.00  0.00           C  
ATOM    173  C   THR A  18      -1.247  11.037   1.965  1.00  0.00           C  
ATOM    174  O   THR A  18      -1.689  10.138   1.282  1.00  0.00           O  
ATOM    175  CB  THR A  18      -0.005  12.630   0.386  1.00  0.00           C  
ATOM    176  OG1 THR A  18       1.282  13.124   0.024  1.00  0.00           O  
ATOM    177  CG2 THR A  18      -0.917  13.811   0.726  1.00  0.00           C  
ATOM    178  H   THR A  18       0.946  10.009   0.473  1.00  0.00           H  
ATOM    179  HG1 THR A  18       1.170  13.577  -0.814  1.00  0.00           H  
ATOM    180  N   GLU A  19      -1.910  11.387   3.101  1.00  0.00           N  
ATOM    181  CA  GLU A  19      -3.255  10.908   3.428  1.00  0.00           C  
ATOM    182  C   GLU A  19      -4.169  11.731   2.482  1.00  0.00           C  
ATOM    183  O   GLU A  19      -4.586  12.834   2.738  1.00  0.00           O  
ATOM    184  CB  GLU A  19      -3.601  11.223   4.885  1.00  0.00           C  
ATOM    185  CG  GLU A  19      -2.532  10.870   5.933  1.00  0.00           C  
ATOM    186  CD  GLU A  19      -3.034  10.826   7.360  1.00  0.00           C  
ATOM    187  OE1 GLU A  19      -3.629   9.792   7.679  1.00  0.00           O  
ATOM    188  OE2 GLU A  19      -2.841  11.810   8.082  1.00  0.00           O  
ATOM    189  H   GLU A  19      -1.469  12.085   3.629  1.00  0.00           H  
ATOM    190  N   ALA A  20      -4.300  11.160   1.286  1.00  0.00           N  
ATOM    191  CA  ALA A  20      -4.995  11.774   0.173  1.00  0.00           C  
ATOM    192  C   ALA A  20      -6.422  11.420  -0.141  1.00  0.00           C  
ATOM    193  O   ALA A  20      -7.027  12.070  -0.984  1.00  0.00           O  
ATOM    194  CB  ALA A  20      -4.209  11.514  -1.125  1.00  0.00           C  
ATOM    195  H   ALA A  20      -3.855  10.299   1.139  1.00  0.00           H  
ATOM    196  N   VAL A  21      -6.968  10.461   0.640  1.00  0.00           N  
ATOM    197  CA  VAL A  21      -8.395   9.990   0.659  1.00  0.00           C  
ATOM    198  C   VAL A  21      -8.880   9.268  -0.623  1.00  0.00           C  
ATOM    199  O   VAL A  21      -9.291   8.112  -0.531  1.00  0.00           O  
ATOM    200  CB  VAL A  21      -9.353  11.168   1.119  1.00  0.00           C  
ATOM    201  CG1 VAL A  21     -10.796  10.687   1.124  1.00  0.00           C  
ATOM    202  CG2 VAL A  21      -8.950  11.587   2.509  1.00  0.00           C  
ATOM    203  H   VAL A  21      -6.371   9.977   1.248  1.00  0.00           H  
ATOM    204  N   ASP A  22      -8.901   9.985  -1.764  1.00  0.00           N  
ATOM    205  CA  ASP A  22      -9.395   9.402  -3.025  1.00  0.00           C  
ATOM    206  C   ASP A  22      -8.649   9.985  -4.216  1.00  0.00           C  
ATOM    207  O   ASP A  22      -8.419  11.171  -4.328  1.00  0.00           O  
ATOM    208  CB  ASP A  22     -10.932   9.684  -3.160  1.00  0.00           C  
ATOM    209  CG  ASP A  22     -11.551   9.428  -4.542  1.00  0.00           C  
ATOM    210  OD1 ASP A  22     -11.504  10.320  -5.422  1.00  0.00           O  
ATOM    211  OD2 ASP A  22     -12.129   8.351  -4.750  1.00  0.00           O  
ATOM    212  H   ASP A  22      -8.602  10.917  -1.813  1.00  0.00           H  
ATOM    213  N   ALA A  23      -8.334   9.046  -5.104  1.00  0.00           N  
ATOM    214  CA  ALA A  23      -7.902   9.242  -6.505  1.00  0.00           C  
ATOM    215  C   ALA A  23      -7.923  10.627  -7.158  1.00  0.00           C  
ATOM    216  O   ALA A  23      -6.839  11.067  -7.553  1.00  0.00           O  
ATOM    217  CB  ALA A  23      -8.474   8.183  -7.463  1.00  0.00           C  
ATOM    218  H   ALA A  23      -8.281   8.096  -4.867  1.00  0.00           H  
ATOM    219  N   ALA A  24      -9.074  11.307  -7.205  1.00  0.00           N  
ATOM    220  CA  ALA A  24      -9.283  12.664  -7.670  1.00  0.00           C  
ATOM    221  C   ALA A  24      -8.431  13.632  -6.867  1.00  0.00           C  
ATOM    222  O   ALA A  24      -7.593  14.351  -7.395  1.00  0.00           O  
ATOM    223  CB  ALA A  24     -10.796  13.025  -7.559  1.00  0.00           C  
ATOM    224  H   ALA A  24      -9.890  10.874  -6.880  1.00  0.00           H  
ATOM    225  N   THR A  25      -8.647  13.716  -5.582  1.00  0.00           N  
ATOM    226  CA  THR A  25      -7.991  14.616  -4.649  1.00  0.00           C  
ATOM    227  C   THR A  25      -6.472  14.450  -4.710  1.00  0.00           C  
ATOM    228  O   THR A  25      -5.740  15.421  -4.711  1.00  0.00           O  
ATOM    229  CB  THR A  25      -8.462  14.292  -3.224  1.00  0.00           C  
ATOM    230  OG1 THR A  25      -9.914  14.330  -3.307  1.00  0.00           O  
ATOM    231  CG2 THR A  25      -8.029  15.303  -2.198  1.00  0.00           C  
ATOM    232  H   THR A  25      -9.274  13.081  -5.177  1.00  0.00           H  
ATOM    233  HG1 THR A  25     -10.240  14.353  -2.404  1.00  0.00           H  
ATOM    234  N   ALA A  26      -5.987  13.174  -4.729  1.00  0.00           N  
ATOM    235  CA  ALA A  26      -4.572  12.852  -4.872  1.00  0.00           C  
ATOM    236  C   ALA A  26      -3.942  13.335  -6.156  1.00  0.00           C  
ATOM    237  O   ALA A  26      -2.788  13.759  -6.100  1.00  0.00           O  
ATOM    238  CB  ALA A  26      -4.439  11.333  -4.863  1.00  0.00           C  
ATOM    239  H   ALA A  26      -6.627  12.432  -4.764  1.00  0.00           H  
ATOM    240  N   GLU A  27      -4.666  13.450  -7.261  1.00  0.00           N  
ATOM    241  CA  GLU A  27      -4.097  14.098  -8.438  1.00  0.00           C  
ATOM    242  C   GLU A  27      -3.873  15.595  -8.194  1.00  0.00           C  
ATOM    243  O   GLU A  27      -2.770  16.057  -8.506  1.00  0.00           O  
ATOM    244  CB  GLU A  27      -5.089  13.847  -9.604  1.00  0.00           C  
ATOM    245  CG  GLU A  27      -4.892  12.476 -10.160  1.00  0.00           C  
ATOM    246  CD  GLU A  27      -5.750  12.236 -11.402  1.00  0.00           C  
ATOM    247  OE1 GLU A  27      -6.924  11.779 -11.368  1.00  0.00           O  
ATOM    248  OE2 GLU A  27      -5.214  12.423 -12.512  1.00  0.00           O  
ATOM    249  H   GLU A  27      -5.574  13.082  -7.296  1.00  0.00           H  
ATOM    250  N   LYS A  28      -4.834  16.314  -7.542  1.00  0.00           N  
ATOM    251  CA  LYS A  28      -4.704  17.728  -7.276  1.00  0.00           C  
ATOM    252  C   LYS A  28      -3.638  18.065  -6.229  1.00  0.00           C  
ATOM    253  O   LYS A  28      -2.910  19.047  -6.396  1.00  0.00           O  
ATOM    254  CB  LYS A  28      -6.058  18.153  -6.760  1.00  0.00           C  
ATOM    255  CG  LYS A  28      -7.041  18.320  -7.918  1.00  0.00           C  
ATOM    256  CD  LYS A  28      -8.399  19.019  -7.628  1.00  0.00           C  
ATOM    257  CE  LYS A  28      -9.264  18.875  -8.884  1.00  0.00           C  
ATOM    258  NZ  LYS A  28     -10.418  19.724  -8.728  1.00  0.00           N  
ATOM    259  H   LYS A  28      -5.660  15.835  -7.323  1.00  0.00           H  
ATOM    260  HZ1 LYS A  28     -11.108  19.515  -9.477  1.00  0.00           H  
ATOM    261  HZ2 LYS A  28     -10.866  19.569  -7.802  1.00  0.00           H  
ATOM    262  HZ3 LYS A  28     -10.084  20.708  -8.785  1.00  0.00           H  
ATOM    263  N   VAL A  29      -3.554  17.240  -5.196  1.00  0.00           N  
ATOM    264  CA  VAL A  29      -2.475  17.324  -4.197  1.00  0.00           C  
ATOM    265  C   VAL A  29      -1.108  17.004  -4.816  1.00  0.00           C  
ATOM    266  O   VAL A  29      -0.073  17.687  -4.594  1.00  0.00           O  
ATOM    267  CB  VAL A  29      -2.769  16.329  -3.003  1.00  0.00           C  
ATOM    268  CG1 VAL A  29      -1.637  16.177  -2.047  1.00  0.00           C  
ATOM    269  CG2 VAL A  29      -3.978  16.669  -2.128  1.00  0.00           C  
ATOM    270  H   VAL A  29      -4.237  16.547  -5.082  1.00  0.00           H  
ATOM    271  N   PHE A  30      -1.093  16.010  -5.684  1.00  0.00           N  
ATOM    272  CA  PHE A  30       0.213  15.580  -6.223  1.00  0.00           C  
ATOM    273  C   PHE A  30       0.786  16.447  -7.291  1.00  0.00           C  
ATOM    274  O   PHE A  30       2.026  16.656  -7.368  1.00  0.00           O  
ATOM    275  CB  PHE A  30       0.264  14.136  -6.707  1.00  0.00           C  
ATOM    276  CG  PHE A  30       0.080  13.061  -5.626  1.00  0.00           C  
ATOM    277  CD1 PHE A  30       0.368  13.338  -4.316  1.00  0.00           C  
ATOM    278  CD2 PHE A  30      -0.344  11.809  -5.941  1.00  0.00           C  
ATOM    279  CE1 PHE A  30       0.163  12.377  -3.334  1.00  0.00           C  
ATOM    280  CE2 PHE A  30      -0.475  10.825  -4.968  1.00  0.00           C  
ATOM    281  CZ  PHE A  30      -0.228  11.108  -3.656  1.00  0.00           C  
ATOM    282  H   PHE A  30      -1.910  15.618  -6.057  1.00  0.00           H  
ATOM    283  N   LYS A  31      -0.093  17.018  -8.137  1.00  0.00           N  
ATOM    284  CA  LYS A  31       0.311  18.053  -9.099  1.00  0.00           C  
ATOM    285  C   LYS A  31       0.956  19.241  -8.399  1.00  0.00           C  
ATOM    286  O   LYS A  31       1.962  19.757  -8.930  1.00  0.00           O  
ATOM    287  CB  LYS A  31      -0.934  18.584  -9.871  1.00  0.00           C  
ATOM    288  CG  LYS A  31      -0.648  19.496 -11.042  1.00  0.00           C  
ATOM    289  CD  LYS A  31      -1.835  20.220 -11.553  1.00  0.00           C  
ATOM    290  CE  LYS A  31      -1.286  21.108 -12.658  1.00  0.00           C  
ATOM    291  NZ  LYS A  31      -2.368  21.743 -13.368  1.00  0.00           N  
ATOM    292  H   LYS A  31      -1.044  16.805  -8.036  1.00  0.00           H  
ATOM    293  HZ1 LYS A  31      -1.981  22.381 -14.092  1.00  0.00           H  
ATOM    294  HZ2 LYS A  31      -2.982  21.019 -13.792  1.00  0.00           H  
ATOM    295  HZ3 LYS A  31      -2.954  22.263 -12.684  1.00  0.00           H  
ATOM    296  N   GLN A  32       0.349  19.708  -7.327  1.00  0.00           N  
ATOM    297  CA  GLN A  32       0.913  20.739  -6.440  1.00  0.00           C  
ATOM    298  C   GLN A  32       2.326  20.429  -5.837  1.00  0.00           C  
ATOM    299  O   GLN A  32       3.249  21.290  -5.878  1.00  0.00           O  
ATOM    300  CB  GLN A  32      -0.095  21.116  -5.321  1.00  0.00           C  
ATOM    301  CG  GLN A  32       0.281  22.392  -4.549  1.00  0.00           C  
ATOM    302  CD  GLN A  32      -0.080  22.401  -3.022  1.00  0.00           C  
ATOM    303  OE1 GLN A  32      -1.235  22.583  -2.644  1.00  0.00           O  
ATOM    304  NE2 GLN A  32       0.875  22.335  -2.075  1.00  0.00           N  
ATOM    305  H   GLN A  32      -0.543  19.370  -7.104  1.00  0.00           H  
ATOM    306 HE21 GLN A  32       1.779  22.343  -2.453  1.00  0.00           H  
ATOM    307 HE22 GLN A  32       0.720  22.259  -1.110  1.00  0.00           H  
ATOM    308  N   TYR A  33       2.528  19.203  -5.365  1.00  0.00           N  
ATOM    309  CA  TYR A  33       3.768  18.895  -4.641  1.00  0.00           C  
ATOM    310  C   TYR A  33       4.921  18.809  -5.626  1.00  0.00           C  
ATOM    311  O   TYR A  33       6.024  19.310  -5.376  1.00  0.00           O  
ATOM    312  CB  TYR A  33       3.605  17.598  -3.895  1.00  0.00           C  
ATOM    313  CG  TYR A  33       4.844  17.259  -3.036  1.00  0.00           C  
ATOM    314  CD1 TYR A  33       5.228  18.024  -1.946  1.00  0.00           C  
ATOM    315  CD2 TYR A  33       5.618  16.149  -3.437  1.00  0.00           C  
ATOM    316  CE1 TYR A  33       6.389  17.707  -1.333  1.00  0.00           C  
ATOM    317  CE2 TYR A  33       6.779  15.861  -2.773  1.00  0.00           C  
ATOM    318  CZ  TYR A  33       7.161  16.640  -1.721  1.00  0.00           C  
ATOM    319  OH  TYR A  33       8.387  16.362  -1.122  1.00  0.00           O  
ATOM    320  H   TYR A  33       1.818  18.540  -5.496  1.00  0.00           H  
ATOM    321  HH  TYR A  33       8.753  15.556  -1.495  1.00  0.00           H  
ATOM    322  N   ALA A  34       4.594  18.145  -6.738  1.00  0.00           N  
ATOM    323  CA  ALA A  34       5.439  18.008  -7.887  1.00  0.00           C  
ATOM    324  C   ALA A  34       5.880  19.320  -8.448  1.00  0.00           C  
ATOM    325  O   ALA A  34       7.080  19.531  -8.503  1.00  0.00           O  
ATOM    326  CB  ALA A  34       4.680  17.287  -9.004  1.00  0.00           C  
ATOM    327  H   ALA A  34       3.782  17.601  -6.672  1.00  0.00           H  
ATOM    328  N   ASN A  35       4.918  20.197  -8.788  1.00  0.00           N  
ATOM    329  CA  ASN A  35       5.252  21.505  -9.311  1.00  0.00           C  
ATOM    330  C   ASN A  35       5.969  22.414  -8.307  1.00  0.00           C  
ATOM    331  O   ASN A  35       6.816  23.228  -8.685  1.00  0.00           O  
ATOM    332  CB  ASN A  35       4.076  22.344  -9.828  1.00  0.00           C  
ATOM    333  CG  ASN A  35       3.700  22.074 -11.291  1.00  0.00           C  
ATOM    334  OD1 ASN A  35       4.324  22.430 -12.307  1.00  0.00           O  
ATOM    335  ND2 ASN A  35       2.524  21.430 -11.451  1.00  0.00           N  
ATOM    336  H   ASN A  35       3.996  19.867  -8.764  1.00  0.00           H  
ATOM    337 HD21 ASN A  35       2.129  21.096 -10.618  1.00  0.00           H  
ATOM    338 HD22 ASN A  35       2.204  21.302 -12.368  1.00  0.00           H  
ATOM    339  N   ASP A  36       5.664  22.212  -7.026  1.00  0.00           N  
ATOM    340  CA  ASP A  36       6.297  22.889  -5.870  1.00  0.00           C  
ATOM    341  C   ASP A  36       7.776  22.546  -5.794  1.00  0.00           C  
ATOM    342  O   ASP A  36       8.611  23.372  -5.400  1.00  0.00           O  
ATOM    343  CB  ASP A  36       5.709  22.524  -4.505  1.00  0.00           C  
ATOM    344  CG  ASP A  36       4.394  23.200  -4.138  1.00  0.00           C  
ATOM    345  OD1 ASP A  36       4.072  24.233  -4.689  1.00  0.00           O  
ATOM    346  OD2 ASP A  36       3.658  22.606  -3.348  1.00  0.00           O  
ATOM    347  H   ASP A  36       4.927  21.599  -6.826  1.00  0.00           H  
ATOM    348  N   ASN A  37       8.081  21.322  -6.114  1.00  0.00           N  
ATOM    349  CA  ASN A  37       9.472  20.838  -5.995  1.00  0.00           C  
ATOM    350  C   ASN A  37      10.200  20.906  -7.326  1.00  0.00           C  
ATOM    351  O   ASN A  37      11.437  20.917  -7.340  1.00  0.00           O  
ATOM    352  CB  ASN A  37       9.528  19.415  -5.384  1.00  0.00           C  
ATOM    353  CG  ASN A  37       9.341  19.369  -3.867  1.00  0.00           C  
ATOM    354  OD1 ASN A  37      10.250  19.385  -3.046  1.00  0.00           O  
ATOM    355  ND2 ASN A  37       8.106  19.423  -3.369  1.00  0.00           N  
ATOM    356  H   ASN A  37       7.407  20.648  -6.342  1.00  0.00           H  
ATOM    357 HD21 ASN A  37       7.392  19.328  -4.034  1.00  0.00           H  
ATOM    358 HD22 ASN A  37       7.988  19.563  -2.406  1.00  0.00           H  
ATOM    359  N   GLY A  38       9.512  20.987  -8.485  1.00  0.00           N  
ATOM    360  CA  GLY A  38      10.174  21.086  -9.805  1.00  0.00           C  
ATOM    361  C   GLY A  38       9.664  20.065 -10.827  1.00  0.00           C  
ATOM    362  O   GLY A  38       9.621  20.368 -12.022  1.00  0.00           O  
ATOM    363  H   GLY A  38       8.535  20.967  -8.401  1.00  0.00           H  
ATOM    364  N   VAL A  39       9.244  18.860 -10.398  1.00  0.00           N  
ATOM    365  CA  VAL A  39       9.076  17.794 -11.395  1.00  0.00           C  
ATOM    366  C   VAL A  39       7.627  17.775 -11.928  1.00  0.00           C  
ATOM    367  O   VAL A  39       6.723  17.010 -11.545  1.00  0.00           O  
ATOM    368  CB  VAL A  39       9.544  16.386 -10.882  1.00  0.00           C  
ATOM    369  CG1 VAL A  39       9.462  15.411 -12.091  1.00  0.00           C  
ATOM    370  CG2 VAL A  39      10.876  16.434 -10.175  1.00  0.00           C  
ATOM    371  H   VAL A  39       9.005  18.706  -9.460  1.00  0.00           H  
ATOM    372  N   ASP A  40       7.407  18.749 -12.776  1.00  0.00           N  
ATOM    373  CA  ASP A  40       6.229  18.843 -13.609  1.00  0.00           C  
ATOM    374  C   ASP A  40       6.422  18.010 -14.865  1.00  0.00           C  
ATOM    375  O   ASP A  40       7.459  18.132 -15.538  1.00  0.00           O  
ATOM    376  CB  ASP A  40       5.979  20.317 -13.873  1.00  0.00           C  
ATOM    377  CG  ASP A  40       4.935  20.606 -14.972  1.00  0.00           C  
ATOM    378  OD1 ASP A  40       3.764  20.279 -14.684  1.00  0.00           O  
ATOM    379  OD2 ASP A  40       5.290  21.108 -16.078  1.00  0.00           O  
ATOM    380  H   ASP A  40       8.124  19.398 -12.930  1.00  0.00           H  
ATOM    381  N   GLY A  41       5.455  17.156 -15.160  1.00  0.00           N  
ATOM    382  CA  GLY A  41       5.695  16.157 -16.187  1.00  0.00           C  
ATOM    383  C   GLY A  41       4.536  15.226 -16.312  1.00  0.00           C  
ATOM    384  O   GLY A  41       3.434  15.613 -15.950  1.00  0.00           O  
ATOM    385  H   GLY A  41       4.575  17.127 -14.730  1.00  0.00           H  
ATOM    386  N   GLU A  42       4.868  13.952 -16.600  1.00  0.00           N  
ATOM    387  CA  GLU A  42       3.831  13.016 -17.026  1.00  0.00           C  
ATOM    388  C   GLU A  42       3.390  12.204 -15.822  1.00  0.00           C  
ATOM    389  O   GLU A  42       4.249  11.777 -14.978  1.00  0.00           O  
ATOM    390  CB  GLU A  42       4.391  12.025 -18.102  1.00  0.00           C  
ATOM    391  CG  GLU A  42       5.344  12.542 -19.104  1.00  0.00           C  
ATOM    392  CD  GLU A  42       5.830  11.474 -20.027  1.00  0.00           C  
ATOM    393  OE1 GLU A  42       6.121  10.311 -19.602  1.00  0.00           O  
ATOM    394  OE2 GLU A  42       5.870  11.766 -21.255  1.00  0.00           O  
ATOM    395  H   GLU A  42       5.718  13.579 -16.286  1.00  0.00           H  
ATOM    396  N   TRP A  43       2.060  11.914 -15.746  1.00  0.00           N  
ATOM    397  CA  TRP A  43       1.489  11.266 -14.568  1.00  0.00           C  
ATOM    398  C   TRP A  43       1.204   9.797 -14.862  1.00  0.00           C  
ATOM    399  O   TRP A  43       0.619   9.550 -15.925  1.00  0.00           O  
ATOM    400  CB  TRP A  43       0.191  11.873 -14.210  1.00  0.00           C  
ATOM    401  CG  TRP A  43       0.186  13.267 -13.592  1.00  0.00           C  
ATOM    402  CD1 TRP A  43       1.276  13.997 -13.160  1.00  0.00           C  
ATOM    403  CD2 TRP A  43      -0.970  14.055 -13.518  1.00  0.00           C  
ATOM    404  NE1 TRP A  43       0.825  15.150 -12.785  1.00  0.00           N  
ATOM    405  CE2 TRP A  43      -0.502  15.225 -12.982  1.00  0.00           C  
ATOM    406  CE3 TRP A  43      -2.342  13.793 -13.685  1.00  0.00           C  
ATOM    407  CZ2 TRP A  43      -1.313  16.284 -12.715  1.00  0.00           C  
ATOM    408  CZ3 TRP A  43      -3.178  14.899 -13.371  1.00  0.00           C  
ATOM    409  CH2 TRP A  43      -2.660  16.077 -12.873  1.00  0.00           C  
ATOM    410  H   TRP A  43       1.449  11.966 -16.511  1.00  0.00           H  
ATOM    411  HE1 TRP A  43       1.327  15.880 -12.367  1.00  0.00           H  
ATOM    412  N   THR A  44       1.622   8.886 -14.015  1.00  0.00           N  
ATOM    413  CA  THR A  44       1.034   7.551 -14.018  1.00  0.00           C  
ATOM    414  C   THR A  44       0.465   7.200 -12.692  1.00  0.00           C  
ATOM    415  O   THR A  44       0.807   7.800 -11.673  1.00  0.00           O  
ATOM    416  CB  THR A  44       1.973   6.395 -14.508  1.00  0.00           C  
ATOM    417  OG1 THR A  44       3.266   6.718 -14.029  1.00  0.00           O  
ATOM    418  CG2 THR A  44       1.863   6.190 -16.018  1.00  0.00           C  
ATOM    419  H   THR A  44       2.343   9.102 -13.387  1.00  0.00           H  
ATOM    420  HG1 THR A  44       3.954   6.754 -14.697  1.00  0.00           H  
ATOM    421  N   TYR A  45      -0.499   6.292 -12.678  1.00  0.00           N  
ATOM    422  CA  TYR A  45      -1.110   5.792 -11.418  1.00  0.00           C  
ATOM    423  C   TYR A  45      -1.436   4.325 -11.629  1.00  0.00           C  
ATOM    424  O   TYR A  45      -1.825   3.886 -12.703  1.00  0.00           O  
ATOM    425  CB  TYR A  45      -2.377   6.612 -11.123  1.00  0.00           C  
ATOM    426  CG  TYR A  45      -3.363   6.143 -10.056  1.00  0.00           C  
ATOM    427  CD1 TYR A  45      -3.028   6.182  -8.693  1.00  0.00           C  
ATOM    428  CD2 TYR A  45      -4.649   5.778 -10.456  1.00  0.00           C  
ATOM    429  CE1 TYR A  45      -3.989   5.821  -7.793  1.00  0.00           C  
ATOM    430  CE2 TYR A  45      -5.621   5.470  -9.533  1.00  0.00           C  
ATOM    431  CZ  TYR A  45      -5.258   5.488  -8.151  1.00  0.00           C  
ATOM    432  OH  TYR A  45      -6.200   5.099  -7.222  1.00  0.00           O  
ATOM    433  H   TYR A  45      -0.822   5.870 -13.502  1.00  0.00           H  
ATOM    434  HH  TYR A  45      -6.861   4.564  -7.667  1.00  0.00           H  
ATOM    435  N   ASP A  46      -1.254   3.573 -10.536  1.00  0.00           N  
ATOM    436  CA  ASP A  46      -1.740   2.205 -10.312  1.00  0.00           C  
ATOM    437  C   ASP A  46      -2.493   2.123  -8.980  1.00  0.00           C  
ATOM    438  O   ASP A  46      -1.988   2.358  -7.893  1.00  0.00           O  
ATOM    439  CB  ASP A  46      -0.628   1.123 -10.297  1.00  0.00           C  
ATOM    440  CG  ASP A  46      -1.066  -0.324 -10.092  1.00  0.00           C  
ATOM    441  OD1 ASP A  46      -2.261  -0.678 -10.194  1.00  0.00           O  
ATOM    442  OD2 ASP A  46      -0.161  -1.152  -9.913  1.00  0.00           O  
ATOM    443  H   ASP A  46      -0.727   3.979  -9.817  1.00  0.00           H  
ATOM    444  N   ASP A  47      -3.701   1.557  -9.155  1.00  0.00           N  
ATOM    445  CA  ASP A  47      -4.688   1.338  -8.132  1.00  0.00           C  
ATOM    446  C   ASP A  47      -4.296   0.378  -7.011  1.00  0.00           C  
ATOM    447  O   ASP A  47      -4.275   0.653  -5.822  1.00  0.00           O  
ATOM    448  CB  ASP A  47      -5.993   0.863  -8.750  1.00  0.00           C  
ATOM    449  CG  ASP A  47      -6.968   1.959  -9.155  1.00  0.00           C  
ATOM    450  OD1 ASP A  47      -7.484   2.606  -8.234  1.00  0.00           O  
ATOM    451  OD2 ASP A  47      -7.154   2.196 -10.363  1.00  0.00           O  
ATOM    452  H   ASP A  47      -3.876   1.179 -10.042  1.00  0.00           H  
ATOM    453  N   ALA A  48      -3.872  -0.861  -7.386  1.00  0.00           N  
ATOM    454  CA  ALA A  48      -3.663  -1.975  -6.438  1.00  0.00           C  
ATOM    455  C   ALA A  48      -2.559  -1.778  -5.389  1.00  0.00           C  
ATOM    456  O   ALA A  48      -2.623  -2.310  -4.274  1.00  0.00           O  
ATOM    457  CB  ALA A  48      -3.342  -3.263  -7.235  1.00  0.00           C  
ATOM    458  H   ALA A  48      -3.600  -0.950  -8.323  1.00  0.00           H  
ATOM    459  N   THR A  49      -1.574  -1.023  -5.837  1.00  0.00           N  
ATOM    460  CA  THR A  49      -0.422  -0.649  -5.033  1.00  0.00           C  
ATOM    461  C   THR A  49      -0.499   0.711  -4.372  1.00  0.00           C  
ATOM    462  O   THR A  49       0.502   1.151  -3.806  1.00  0.00           O  
ATOM    463  CB  THR A  49       0.806  -0.864  -5.953  1.00  0.00           C  
ATOM    464  OG1 THR A  49       0.424  -0.397  -7.257  1.00  0.00           O  
ATOM    465  CG2 THR A  49       1.289  -2.293  -6.058  1.00  0.00           C  
ATOM    466  H   THR A  49      -1.601  -0.655  -6.744  1.00  0.00           H  
ATOM    467  HG1 THR A  49       1.145  -0.661  -7.834  1.00  0.00           H  
ATOM    468  N   LYS A  50      -1.661   1.380  -4.513  1.00  0.00           N  
ATOM    469  CA  LYS A  50      -1.827   2.777  -4.024  1.00  0.00           C  
ATOM    470  C   LYS A  50      -0.779   3.748  -4.526  1.00  0.00           C  
ATOM    471  O   LYS A  50      -0.344   4.636  -3.791  1.00  0.00           O  
ATOM    472  CB  LYS A  50      -1.955   2.790  -2.464  1.00  0.00           C  
ATOM    473  CG  LYS A  50      -3.239   2.224  -1.954  1.00  0.00           C  
ATOM    474  CD  LYS A  50      -3.265   2.050  -0.445  1.00  0.00           C  
ATOM    475  CE  LYS A  50      -4.590   1.622   0.097  1.00  0.00           C  
ATOM    476  NZ  LYS A  50      -4.410   1.052   1.426  1.00  0.00           N  
ATOM    477  H   LYS A  50      -2.319   0.992  -5.126  1.00  0.00           H  
ATOM    478  HZ1 LYS A  50      -5.271   0.618   1.815  1.00  0.00           H  
ATOM    479  HZ2 LYS A  50      -3.712   0.293   1.292  1.00  0.00           H  
ATOM    480  HZ3 LYS A  50      -4.044   1.801   2.049  1.00  0.00           H  
ATOM    481  N   THR A  51      -0.394   3.584  -5.779  1.00  0.00           N  
ATOM    482  CA  THR A  51       0.856   4.147  -6.271  1.00  0.00           C  
ATOM    483  C   THR A  51       0.632   5.164  -7.420  1.00  0.00           C  
ATOM    484  O   THR A  51       0.035   4.902  -8.473  1.00  0.00           O  
ATOM    485  CB  THR A  51       1.821   3.037  -6.726  1.00  0.00           C  
ATOM    486  OG1 THR A  51       2.268   2.478  -5.540  1.00  0.00           O  
ATOM    487  CG2 THR A  51       3.010   3.584  -7.578  1.00  0.00           C  
ATOM    488  H   THR A  51      -0.960   3.081  -6.401  1.00  0.00           H  
ATOM    489  HG1 THR A  51       1.555   2.021  -5.086  1.00  0.00           H  
ATOM    490  N   PHE A  52       1.194   6.371  -7.200  1.00  0.00           N  
ATOM    491  CA  PHE A  52       1.195   7.455  -8.201  1.00  0.00           C  
ATOM    492  C   PHE A  52       2.629   7.740  -8.550  1.00  0.00           C  
ATOM    493  O   PHE A  52       3.397   7.882  -7.622  1.00  0.00           O  
ATOM    494  CB  PHE A  52       0.613   8.753  -7.679  1.00  0.00           C  
ATOM    495  CG  PHE A  52      -0.019   9.670  -8.730  1.00  0.00           C  
ATOM    496  CD1 PHE A  52       0.768  10.485  -9.547  1.00  0.00           C  
ATOM    497  CD2 PHE A  52      -1.377   9.669  -8.848  1.00  0.00           C  
ATOM    498  CE1 PHE A  52       0.153  11.309 -10.488  1.00  0.00           C  
ATOM    499  CE2 PHE A  52      -1.985  10.464  -9.838  1.00  0.00           C  
ATOM    500  CZ  PHE A  52      -1.234  11.277 -10.684  1.00  0.00           C  
ATOM    501  H   PHE A  52       1.702   6.461  -6.367  1.00  0.00           H  
ATOM    502  N   THR A  53       3.031   7.816  -9.847  1.00  0.00           N  
ATOM    503  CA  THR A  53       4.327   8.300 -10.283  1.00  0.00           C  
ATOM    504  C   THR A  53       4.325   9.586 -11.080  1.00  0.00           C  
ATOM    505  O   THR A  53       3.668   9.711 -12.074  1.00  0.00           O  
ATOM    506  CB  THR A  53       5.115   7.211 -11.007  1.00  0.00           C  
ATOM    507  OG1 THR A  53       4.769   6.021 -10.347  1.00  0.00           O  
ATOM    508  CG2 THR A  53       6.653   7.384 -10.892  1.00  0.00           C  
ATOM    509  H   THR A  53       2.359   7.625 -10.534  1.00  0.00           H  
ATOM    510  HG1 THR A  53       5.040   5.207 -10.777  1.00  0.00           H  
ATOM    511  N   VAL A  54       5.210  10.537 -10.674  1.00  0.00           N  
ATOM    512  CA  VAL A  54       5.430  11.646 -11.569  1.00  0.00           C  
ATOM    513  C   VAL A  54       6.718  11.351 -12.312  1.00  0.00           C  
ATOM    514  O   VAL A  54       7.797  11.301 -11.743  1.00  0.00           O  
ATOM    515  CB  VAL A  54       5.408  13.044 -10.881  1.00  0.00           C  
ATOM    516  CG1 VAL A  54       5.616  14.202 -11.822  1.00  0.00           C  
ATOM    517  CG2 VAL A  54       4.134  13.304 -10.146  1.00  0.00           C  
ATOM    518  H   VAL A  54       5.512  10.482  -9.744  1.00  0.00           H  
ATOM    519  N   THR A  55       6.499  11.076 -13.579  1.00  0.00           N  
ATOM    520  CA  THR A  55       7.593  10.568 -14.419  1.00  0.00           C  
ATOM    521  C   THR A  55       8.063  11.602 -15.426  1.00  0.00           C  
ATOM    522  O   THR A  55       7.275  12.517 -15.777  1.00  0.00           O  
ATOM    523  CB  THR A  55       6.983   9.336 -15.094  1.00  0.00           C  
ATOM    524  OG1 THR A  55       6.863   8.321 -14.115  1.00  0.00           O  
ATOM    525  CG2 THR A  55       7.730   8.759 -16.315  1.00  0.00           C  
ATOM    526  H   THR A  55       5.631  11.125 -14.030  1.00  0.00           H  
ATOM    527  HG1 THR A  55       7.657   7.808 -13.951  1.00  0.00           H  
ATOM    528  N   GLU A  56       9.367  11.640 -15.744  1.00  0.00           N  
ATOM    529  CA  GLU A  56       9.854  12.500 -16.803  1.00  0.00           C  
ATOM    530  C   GLU A  56       9.389  12.075 -18.160  1.00  0.00           C  
ATOM    531  O   GLU A  56       9.650  10.903 -18.468  1.00  0.00           O  
ATOM    532  CB  GLU A  56      11.354  12.676 -16.723  1.00  0.00           C  
ATOM    533  CG  GLU A  56      11.898  13.466 -15.506  1.00  0.00           C  
ATOM    534  CD  GLU A  56      13.399  13.439 -15.375  1.00  0.00           C  
ATOM    535  OE1 GLU A  56      13.986  12.379 -15.273  1.00  0.00           O  
ATOM    536  OE2 GLU A  56      14.023  14.481 -15.438  1.00  0.00           O  
ATOM    537  OXT GLU A  56       8.792  12.864 -18.912  1.00  0.00           O  
ATOM    538  H   GLU A  56       9.962  11.177 -15.117  1.00  0.00           H  
TER     539      GLU A  56                                                      
MASTER      160    0    0    1    4    0    0    6  438    1    0    5          
END