HEADER    IMMUNE SYSTEM                           29-DEC-06   2OED              
TITLE     GB3 SOLUTION STRUCTURE OBTAINED BY REFINEMENT OF X-RAY STRUCTURE WITH 
TITLE    2 DIPOLAR COUPLINGS                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: IMMUNOGLOBULIN G-BINDING PROTEIN G;                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: THIRD IGG-BINDING DOMAIN;                                  
COMPND   5 SYNONYM: IGG-BINDING PROTEIN G;                                      
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. 'GROUP G';                    
SOURCE   3 ORGANISM_TAXID: 1320;                                                
SOURCE   4 GENE: SPG;                                                           
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: HMS174;                                    
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET-11A                                   
KEYWDS    IMMUNE SYSTEM, RESIDUAL DIPOLAR COUPLINGS                             
EXPDTA    SOLUTION NMR                                                          
AUTHOR    T.S.ULMER,B.E.RAMIREZ,F.DELAGLIO,A.BAX,A.GRISHAEV                     
REVDAT   4   27-DEC-23 2OED    1       REMARK                                   
REVDAT   3   16-MAR-22 2OED    1       REMARK SEQADV                            
REVDAT   2   24-FEB-09 2OED    1       VERSN                                    
REVDAT   1   30-JAN-07 2OED    0                                                
JRNL        AUTH   T.S.ULMER,B.E.RAMIREZ,F.DELAGLIO,A.BAX                       
JRNL        TITL   EVALUATION OF BACKBONE PROTON POSITIONS AND DYNAMICS IN A    
JRNL        TITL 2 SMALL PROTEIN BY LIQUID CRYSTAL NMR SPECTROSCOPY             
JRNL        REF    J.AM.CHEM.SOC.                V. 125  9179 2003              
JRNL        REFN                   ISSN 0002-7863                               
JRNL        PMID   15369375                                                     
JRNL        DOI    10.1021/JA0350684                                            
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   J.P.DERRICK,D.B.WIGGLEY                                      
REMARK   1  TITL   THE THIRD IGG-BINDING DOMAIN FROM STREPTOCOCCAL PROTEIN G.   
REMARK   1  TITL 2 AN ANALYSIS BY X-RAY CRYSTALLOGRAPHY OF THE STRUCTURE ALONE  
REMARK   1  TITL 3 AND IN A COMPLEX WITH FAB                                    
REMARK   1  REF    J.MOL.BIOL.                   V. 243   906 1994              
REMARK   1  REFN                   ISSN 0022-2836                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : DYNAMO 2.1                                           
REMARK   3   AUTHORS     : DELAGLIO                                             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: GB3 SOLUTION STRUCTURE IS OBTAINED BY     
REMARK   3  REFINEMENT OF THE X-RAY STRUCTURE OF GB3 (1IGD) WITH C(ALPHA)-C',   
REMARK   3  C'-N, C(ALPHA)-H(ALPHA) AND N-H DIPOLAR COUPLINGS MEASURED IN       
REMARK   3  FIVE ALIGNING MEDIA (BICELLE, PEG, PF1 PHAGE, NEGATIVELY AND        
REMARK   3  POSITIVELY CHARGED POLYACRYLAMIDE GELS). DIPOLAR COUPLINGS          
REMARK   3  ORIGINATING ON RESIDUES 10-11, 24-26, 39-41 AND THE N- AND C-       
REMARK   3  TERMINAL RESIDUES WERE EXCLUDED, RESULTING IN NEAR-IDENTITY WITH    
REMARK   3  THE X-RAY STRUCTURE FOR THESE RESIDUES. THIS DEPOSITION             
REMARK   3  CORRESPONDS TO THE REFINED-II STRUCTURE OF THE PRIMARY CITATION     
REMARK   3  THAT WAS REFINED AGAINST ALL 4 TYPES OF DIPOLAR COUPLINGS IN 5      
REMARK   3  MEDIA. THE RELATED DEPOSITIONS 1P7E AND 1P7F CORRESPOND TO THE      
REMARK   3  REFINED-III AND REFINED-IV STRUCTURES, RESPECTIVELY. THE            
REMARK   3  DEPOSITED STRUCTURE WAS CALCULATED WITH DYNAMO 2.1 FOLLOWING A      
REMARK   3  SHORT LOW-TEMPERATURE MOLECULAR DYNAMICS SIMULATED ANNEALING RUN    
REMARK   3  STARTING FROM THE REGULARIZED COORDINATES OF THE X-RAY STRUCTURE    
REMARK   3  1IGD USING ATOMIC COORDINATE RESTRAINTS TO THE OVERLAPPING 3-       
REMARK   3  RESIDUE SEGMENTS OF 1IGD. THE FORCE CONSTANTS FOR THE HN-N-C-CA     
REMARK   3  IMPROPERS WERE SOFTENED 10-FOLD RELATIVE TO THEIR STANDARD          
REMARK   3  SETTINGS. SEE THE PRIMARY CITATION AND THE CORRESPONDING            
REMARK   3  SUPPORTING INFORMATION FILE FOR A DETAILED DESCRIPTION OF THE       
REMARK   3  REFINEMENT PROCEDURE. THE DEPOSITED RESTRAINTS FILE INCLUDES, IN    
REMARK   3  ADDITION TO THE DIPOLAR COUPLINGS AND BACKBONE H-BOND DISTANCE      
REMARK   3  RESTRAINTS (XPLOR/CNS FORMAT), AN XPLOR-NIH SCRIPT DESIGNED TO      
REMARK   3  MIMIC THE DEPOSITED STRUCTURE, AND THE FORCE FIELD PARAMETER        
REMARK   3  FILES. A SET OF OVERLAPPING 3-RESIDUE NCS RESTRAINT TERMS IS        
REMARK   3  USED IN THIS SCRIPT IN PLACE OF THE DYNAMO ATOMIC COORDINATE        
REMARK   3  RESTRAINTS.                                                         
REMARK   4                                                                      
REMARK   4 2OED COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JAN-07.                  
REMARK 100 THE DEPOSITION ID IS D_1000041029.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 300                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 0.05                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 25 MM NAH2PO4/NA2HPO4, 0.2 MG/ML   
REMARK 210                                   NAN3, 1.5 MM GB3 PROTEIN AND       
REMARK 210                                   ALIGNING MEDIA, 90% H2O, 10% D2O   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D IPAP [15N,1H]-HSQC; 3D          
REMARK 210                                   CT(H)CA(CO)NH; 13C-COUPLED 3D      
REMARK 210                                   HNCO; QUANTITATIVE J-CORRELATION   
REMARK 210                                   3D TROSY-HNCO                      
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 800 MHZ                   
REMARK 210  SPECTROMETER MODEL             : DMX; DRX                           
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYNAMO 2.1                         
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1                                  
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : ALL CALCULATED STRUCTURES          
REMARK 210                                   SUBMITTED                          
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: 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    ASN A   8       70.64   -112.77                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1P7F   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1P7E   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1IGD   RELATED DB: PDB                                   
DBREF  2OED A    3    56  UNP    P19909   SPG2_STRSG     444    497             
SEQADV 2OED MET A    1  UNP  P19909              CLONING ARTIFACT               
SEQADV 2OED GLN A    2  UNP  P19909              CLONING ARTIFACT               
SEQRES   1 A   56  MET GLN TYR LYS LEU VAL ILE ASN GLY LYS THR LEU LYS          
SEQRES   2 A   56  GLY GLU THR THR THR LYS ALA VAL ASP ALA GLU THR ALA          
SEQRES   3 A   56  GLU LYS ALA PHE LYS GLN TYR ALA ASN ASP ASN GLY VAL          
SEQRES   4 A   56  ASP GLY VAL TRP THR TYR ASP ASP ALA THR LYS THR PHE          
SEQRES   5 A   56  THR VAL THR GLU                                              
HELIX    1   1 ASP A   22  ASN A   37  1                                  16    
SHEET    1   A 4 LYS A  13  LYS A  19  0                                        
SHEET    2   A 4 GLN A   2  ASN A   8 -1  N  TYR A   3   O  THR A  18           
SHEET    3   A 4 THR A  51  THR A  55  1  O  VAL A  54   N  ASN A   8           
SHEET    4   A 4 VAL A  42  ASP A  46 -1  N  ASP A  46   O  THR A  51           
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      -1.854 -13.689  -5.366  1.00  0.00           N  
ATOM      2  CA  MET A   1      -1.438 -13.509  -3.980  1.00  0.00           C  
ATOM      3  C   MET A   1      -2.175 -12.328  -3.356  1.00  0.00           C  
ATOM      4  O   MET A   1      -2.453 -11.335  -4.031  1.00  0.00           O  
ATOM      5  CB  MET A   1       0.070 -13.250  -3.906  1.00  0.00           C  
ATOM      6  CG  MET A   1       0.832 -14.422  -4.537  1.00  0.00           C  
ATOM      7  SD  MET A   1       2.250 -14.865  -3.500  1.00  0.00           S  
ATOM      8  CE  MET A   1       1.329 -15.592  -2.120  1.00  0.00           C  
ATOM      9  H1  MET A   1      -1.301 -14.455  -5.798  1.00  0.00           H  
ATOM     10  H2  MET A   1      -1.695 -12.805  -5.892  1.00  0.00           H  
ATOM     11  H3  MET A   1      -2.864 -13.935  -5.397  1.00  0.00           H  
ATOM     12  HA  MET A   1      -1.672 -14.403  -3.423  1.00  0.00           H  
ATOM     13  HB2 MET A   1       0.302 -12.338  -4.436  1.00  0.00           H  
ATOM     14  HB3 MET A   1       0.362 -13.145  -2.871  1.00  0.00           H  
ATOM     15  HG2 MET A   1       0.178 -15.276  -4.631  1.00  0.00           H  
ATOM     16  HG3 MET A   1       1.184 -14.136  -5.517  1.00  0.00           H  
ATOM     17  HE1 MET A   1       1.108 -14.827  -1.391  1.00  0.00           H  
ATOM     18  HE2 MET A   1       1.926 -16.365  -1.659  1.00  0.00           H  
ATOM     19  HE3 MET A   1       0.407 -16.021  -2.483  1.00  0.00           H  
ATOM     20  N   GLN A   2      -2.444 -12.422  -2.068  1.00  0.00           N  
ATOM     21  CA  GLN A   2      -3.086 -11.321  -1.361  1.00  0.00           C  
ATOM     22  C   GLN A   2      -1.974 -10.432  -0.822  1.00  0.00           C  
ATOM     23  O   GLN A   2      -1.113 -10.899  -0.074  1.00  0.00           O  
ATOM     24  CB  GLN A   2      -3.970 -11.837  -0.214  1.00  0.00           C  
ATOM     25  CG  GLN A   2      -4.366 -13.298  -0.459  1.00  0.00           C  
ATOM     26  CD  GLN A   2      -3.279 -14.228   0.085  1.00  0.00           C  
ATOM     27  OE1 GLN A   2      -2.463 -14.733  -0.660  1.00  0.00           O  
ATOM     28  NE2 GLN A   2      -3.236 -14.480   1.365  1.00  0.00           N  
ATOM     29  H   GLN A   2      -2.168 -13.220  -1.572  1.00  0.00           H  
ATOM     30  HA  GLN A   2      -3.688 -10.749  -2.055  1.00  0.00           H  
ATOM     31  HB2 GLN A   2      -3.430 -11.765   0.720  1.00  0.00           H  
ATOM     32  HB3 GLN A   2      -4.863 -11.233  -0.153  1.00  0.00           H  
ATOM     33  HG2 GLN A   2      -5.298 -13.505   0.047  1.00  0.00           H  
ATOM     34  HG3 GLN A   2      -4.490 -13.472  -1.518  1.00  0.00           H  
ATOM     35 HE21 GLN A   2      -3.895 -14.074   1.967  1.00  0.00           H  
ATOM     36 HE22 GLN A   2      -2.544 -15.073   1.725  1.00  0.00           H  
ATOM     37  N   TYR A   3      -2.041  -9.157  -1.143  1.00  0.00           N  
ATOM     38  CA  TYR A   3      -1.067  -8.197  -0.639  1.00  0.00           C  
ATOM     39  C   TYR A   3      -1.787  -7.293   0.344  1.00  0.00           C  
ATOM     40  O   TYR A   3      -2.990  -7.067   0.209  1.00  0.00           O  
ATOM     41  CB  TYR A   3      -0.475  -7.361  -1.779  1.00  0.00           C  
ATOM     42  CG  TYR A   3       0.356  -8.223  -2.701  1.00  0.00           C  
ATOM     43  CD1 TYR A   3      -0.258  -8.886  -3.771  1.00  0.00           C  
ATOM     44  CD2 TYR A   3       1.738  -8.346  -2.499  1.00  0.00           C  
ATOM     45  CE1 TYR A   3       0.509  -9.671  -4.642  1.00  0.00           C  
ATOM     46  CE2 TYR A   3       2.504  -9.136  -3.366  1.00  0.00           C  
ATOM     47  CZ  TYR A   3       1.889  -9.798  -4.436  1.00  0.00           C  
ATOM     48  OH  TYR A   3       2.647 -10.564  -5.296  1.00  0.00           O  
ATOM     49  H   TYR A   3      -2.832  -8.842  -1.628  1.00  0.00           H  
ATOM     50  HA  TYR A   3      -0.274  -8.708  -0.111  1.00  0.00           H  
ATOM     51  HB2 TYR A   3      -1.278  -6.910  -2.343  1.00  0.00           H  
ATOM     52  HB3 TYR A   3       0.146  -6.582  -1.363  1.00  0.00           H  
ATOM     53  HD1 TYR A   3      -1.322  -8.791  -3.926  1.00  0.00           H  
ATOM     54  HD2 TYR A   3       2.211  -7.835  -1.674  1.00  0.00           H  
ATOM     55  HE1 TYR A   3       0.036 -10.183  -5.467  1.00  0.00           H  
ATOM     56  HE2 TYR A   3       3.568  -9.235  -3.209  1.00  0.00           H  
ATOM     57  HH  TYR A   3       2.167 -11.377  -5.471  1.00  0.00           H  
ATOM     58  N   LYS A   4      -1.056  -6.780   1.309  1.00  0.00           N  
ATOM     59  CA  LYS A   4      -1.624  -5.925   2.343  1.00  0.00           C  
ATOM     60  C   LYS A   4      -0.947  -4.563   2.290  1.00  0.00           C  
ATOM     61  O   LYS A   4       0.252  -4.461   2.039  1.00  0.00           O  
ATOM     62  CB  LYS A   4      -1.384  -6.568   3.712  1.00  0.00           C  
ATOM     63  CG  LYS A   4      -1.902  -5.693   4.853  1.00  0.00           C  
ATOM     64  CD  LYS A   4      -1.786  -6.465   6.171  1.00  0.00           C  
ATOM     65  CE  LYS A   4      -2.893  -7.520   6.264  1.00  0.00           C  
ATOM     66  NZ  LYS A   4      -2.774  -8.241   7.562  1.00  0.00           N  
ATOM     67  H   LYS A   4      -0.100  -6.990   1.359  1.00  0.00           H  
ATOM     68  HA  LYS A   4      -2.684  -5.835   2.169  1.00  0.00           H  
ATOM     69  HB2 LYS A   4      -1.886  -7.522   3.738  1.00  0.00           H  
ATOM     70  HB3 LYS A   4      -0.324  -6.728   3.843  1.00  0.00           H  
ATOM     71  HG2 LYS A   4      -1.312  -4.790   4.910  1.00  0.00           H  
ATOM     72  HG3 LYS A   4      -2.936  -5.439   4.674  1.00  0.00           H  
ATOM     73  HD2 LYS A   4      -0.823  -6.951   6.221  1.00  0.00           H  
ATOM     74  HD3 LYS A   4      -1.882  -5.776   6.997  1.00  0.00           H  
ATOM     75  HE2 LYS A   4      -3.857  -7.037   6.207  1.00  0.00           H  
ATOM     76  HE3 LYS A   4      -2.796  -8.227   5.454  1.00  0.00           H  
ATOM     77  HZ1 LYS A   4      -3.068  -7.613   8.336  1.00  0.00           H  
ATOM     78  HZ2 LYS A   4      -1.786  -8.532   7.707  1.00  0.00           H  
ATOM     79  HZ3 LYS A   4      -3.386  -9.082   7.549  1.00  0.00           H  
ATOM     80  N   LEU A   5      -1.728  -3.541   2.589  1.00  0.00           N  
ATOM     81  CA  LEU A   5      -1.221  -2.176   2.681  1.00  0.00           C  
ATOM     82  C   LEU A   5      -1.515  -1.692   4.094  1.00  0.00           C  
ATOM     83  O   LEU A   5      -2.667  -1.691   4.536  1.00  0.00           O  
ATOM     84  CB  LEU A   5      -1.911  -1.244   1.672  1.00  0.00           C  
ATOM     85  CG  LEU A   5      -1.460   0.214   1.860  1.00  0.00           C  
ATOM     86  CD1 LEU A   5       0.026   0.375   1.519  1.00  0.00           C  
ATOM     87  CD2 LEU A   5      -2.287   1.120   0.943  1.00  0.00           C  
ATOM     88  H   LEU A   5      -2.681  -3.707   2.742  1.00  0.00           H  
ATOM     89  HA  LEU A   5      -0.153  -2.166   2.505  1.00  0.00           H  
ATOM     90  HB2 LEU A   5      -1.666  -1.564   0.670  1.00  0.00           H  
ATOM     91  HB3 LEU A   5      -2.981  -1.305   1.810  1.00  0.00           H  
ATOM     92  HG  LEU A   5      -1.620   0.507   2.885  1.00  0.00           H  
ATOM     93 HD11 LEU A   5       0.625   0.021   2.345  1.00  0.00           H  
ATOM     94 HD12 LEU A   5       0.245   1.417   1.339  1.00  0.00           H  
ATOM     95 HD13 LEU A   5       0.258  -0.199   0.635  1.00  0.00           H  
ATOM     96 HD21 LEU A   5      -2.081   0.874  -0.088  1.00  0.00           H  
ATOM     97 HD22 LEU A   5      -2.026   2.152   1.126  1.00  0.00           H  
ATOM     98 HD23 LEU A   5      -3.338   0.973   1.144  1.00  0.00           H  
ATOM     99  N   VAL A   6      -0.493  -1.237   4.786  1.00  0.00           N  
ATOM    100  CA  VAL A   6      -0.589  -0.689   6.126  1.00  0.00           C  
ATOM    101  C   VAL A   6      -0.388   0.805   5.918  1.00  0.00           C  
ATOM    102  O   VAL A   6       0.615   1.219   5.336  1.00  0.00           O  
ATOM    103  CB  VAL A   6       0.506  -1.282   7.044  1.00  0.00           C  
ATOM    104  CG1 VAL A   6       0.517  -0.604   8.414  1.00  0.00           C  
ATOM    105  CG2 VAL A   6       0.291  -2.791   7.207  1.00  0.00           C  
ATOM    106  H   VAL A   6       0.406  -1.261   4.396  1.00  0.00           H  
ATOM    107  HA  VAL A   6      -1.573  -0.856   6.543  1.00  0.00           H  
ATOM    108  HB  VAL A   6       1.467  -1.118   6.576  1.00  0.00           H  
ATOM    109 HG11 VAL A   6       1.315  -1.018   9.013  1.00  0.00           H  
ATOM    110 HG12 VAL A   6      -0.428  -0.775   8.907  1.00  0.00           H  
ATOM    111 HG13 VAL A   6       0.673   0.457   8.291  1.00  0.00           H  
ATOM    112 HG21 VAL A   6       1.211  -3.251   7.535  1.00  0.00           H  
ATOM    113 HG22 VAL A   6      -0.007  -3.219   6.260  1.00  0.00           H  
ATOM    114 HG23 VAL A   6      -0.480  -2.969   7.941  1.00  0.00           H  
ATOM    115  N   ILE A   7      -1.369   1.593   6.323  1.00  0.00           N  
ATOM    116  CA  ILE A   7      -1.326   3.044   6.125  1.00  0.00           C  
ATOM    117  C   ILE A   7      -1.135   3.758   7.459  1.00  0.00           C  
ATOM    118  O   ILE A   7      -2.005   3.731   8.329  1.00  0.00           O  
ATOM    119  CB  ILE A   7      -2.642   3.563   5.515  1.00  0.00           C  
ATOM    120  CG1 ILE A   7      -3.022   2.711   4.296  1.00  0.00           C  
ATOM    121  CG2 ILE A   7      -2.473   5.027   5.096  1.00  0.00           C  
ATOM    122  CD1 ILE A   7      -4.527   2.424   4.304  1.00  0.00           C  
ATOM    123  H   ILE A   7      -2.145   1.215   6.787  1.00  0.00           H  
ATOM    124  HA  ILE A   7      -0.515   3.275   5.453  1.00  0.00           H  
ATOM    125  HB  ILE A   7      -3.422   3.500   6.260  1.00  0.00           H  
ATOM    126 HG12 ILE A   7      -2.762   3.234   3.387  1.00  0.00           H  
ATOM    127 HG13 ILE A   7      -2.489   1.774   4.331  1.00  0.00           H  
ATOM    128 HG21 ILE A   7      -3.402   5.393   4.684  1.00  0.00           H  
ATOM    129 HG22 ILE A   7      -1.695   5.102   4.350  1.00  0.00           H  
ATOM    130 HG23 ILE A   7      -2.203   5.621   5.957  1.00  0.00           H  
ATOM    131 HD11 ILE A   7      -4.799   1.943   5.232  1.00  0.00           H  
ATOM    132 HD12 ILE A   7      -4.773   1.774   3.478  1.00  0.00           H  
ATOM    133 HD13 ILE A   7      -5.071   3.352   4.206  1.00  0.00           H  
ATOM    134  N   ASN A   8      -0.003   4.422   7.554  1.00  0.00           N  
ATOM    135  CA  ASN A   8       0.281   5.224   8.738  1.00  0.00           C  
ATOM    136  C   ASN A   8       0.305   6.709   8.366  1.00  0.00           C  
ATOM    137  O   ASN A   8       1.371   7.318   8.256  1.00  0.00           O  
ATOM    138  CB  ASN A   8       1.630   4.831   9.347  1.00  0.00           C  
ATOM    139  CG  ASN A   8       1.546   3.427   9.947  1.00  0.00           C  
ATOM    140  OD1 ASN A   8       2.392   2.592   9.688  1.00  0.00           O  
ATOM    141  ND2 ASN A   8       0.551   3.139  10.743  1.00  0.00           N  
ATOM    142  H   ASN A   8       0.613   4.455   6.792  1.00  0.00           H  
ATOM    143  HA  ASN A   8      -0.499   5.050   9.464  1.00  0.00           H  
ATOM    144  HB2 ASN A   8       2.388   4.846   8.577  1.00  0.00           H  
ATOM    145  HB3 ASN A   8       1.893   5.535  10.122  1.00  0.00           H  
ATOM    146 HD21 ASN A   8      -0.127   3.817  10.947  1.00  0.00           H  
ATOM    147 HD22 ASN A   8       0.482   2.244  11.136  1.00  0.00           H  
ATOM    148  N   GLY A   9      -0.870   7.244   8.066  1.00  0.00           N  
ATOM    149  CA  GLY A   9      -1.003   8.620   7.611  1.00  0.00           C  
ATOM    150  C   GLY A   9      -1.208   9.577   8.765  1.00  0.00           C  
ATOM    151  O   GLY A   9      -1.410   9.159   9.905  1.00  0.00           O  
ATOM    152  H   GLY A   9      -1.691   6.738   8.239  1.00  0.00           H  
ATOM    153  HA2 GLY A   9      -0.111   8.903   7.072  1.00  0.00           H  
ATOM    154  HA3 GLY A   9      -1.851   8.688   6.945  1.00  0.00           H  
ATOM    155  N   LYS A  10      -1.156  10.860   8.465  1.00  0.00           N  
ATOM    156  CA  LYS A  10      -1.344  11.908   9.460  1.00  0.00           C  
ATOM    157  C   LYS A  10      -2.762  11.851  10.015  1.00  0.00           C  
ATOM    158  O   LYS A  10      -3.011  12.101  11.195  1.00  0.00           O  
ATOM    159  CB  LYS A  10      -1.181  13.290   8.812  1.00  0.00           C  
ATOM    160  CG  LYS A  10       0.295  13.667   8.619  1.00  0.00           C  
ATOM    161  CD  LYS A  10       0.457  14.528   7.353  1.00  0.00           C  
ATOM    162  CE  LYS A  10       0.982  15.926   7.689  1.00  0.00           C  
ATOM    163  NZ  LYS A  10       1.029  16.745   6.442  1.00  0.00           N  
ATOM    164  H   LYS A  10      -0.990  11.119   7.535  1.00  0.00           H  
ATOM    165  HA  LYS A  10      -0.626  11.800  10.257  1.00  0.00           H  
ATOM    166  HB2 LYS A  10      -1.678  13.275   7.854  1.00  0.00           H  
ATOM    167  HB3 LYS A  10      -1.655  14.033   9.438  1.00  0.00           H  
ATOM    168  HG2 LYS A  10       0.639  14.219   9.482  1.00  0.00           H  
ATOM    169  HG3 LYS A  10       0.884  12.767   8.516  1.00  0.00           H  
ATOM    170  HD2 LYS A  10       1.156  14.050   6.684  1.00  0.00           H  
ATOM    171  HD3 LYS A  10      -0.493  14.627   6.849  1.00  0.00           H  
ATOM    172  HE2 LYS A  10       0.325  16.396   8.406  1.00  0.00           H  
ATOM    173  HE3 LYS A  10       1.975  15.848   8.106  1.00  0.00           H  
ATOM    174  HZ1 LYS A  10       1.884  16.506   5.901  1.00  0.00           H  
ATOM    175  HZ2 LYS A  10       1.046  17.755   6.692  1.00  0.00           H  
ATOM    176  HZ3 LYS A  10       0.188  16.545   5.864  1.00  0.00           H  
ATOM    177  N   THR A  11      -3.682  11.632   9.106  1.00  0.00           N  
ATOM    178  CA  THR A  11      -5.092  11.695   9.426  1.00  0.00           C  
ATOM    179  C   THR A  11      -5.801  10.357   9.172  1.00  0.00           C  
ATOM    180  O   THR A  11      -6.754  10.010   9.881  1.00  0.00           O  
ATOM    181  CB  THR A  11      -5.698  12.901   8.678  1.00  0.00           C  
ATOM    182  OG1 THR A  11      -5.954  13.917   9.637  1.00  0.00           O  
ATOM    183  CG2 THR A  11      -6.932  12.581   7.835  1.00  0.00           C  
ATOM    184  H   THR A  11      -3.410  11.512   8.172  1.00  0.00           H  
ATOM    185  HA  THR A  11      -5.171  11.875  10.488  1.00  0.00           H  
ATOM    186  HB  THR A  11      -4.934  13.281   8.012  1.00  0.00           H  
ATOM    187  HG1 THR A  11      -5.165  14.025  10.173  1.00  0.00           H  
ATOM    188 HG21 THR A  11      -7.735  12.258   8.481  1.00  0.00           H  
ATOM    189 HG22 THR A  11      -6.695  11.793   7.135  1.00  0.00           H  
ATOM    190 HG23 THR A  11      -7.237  13.464   7.293  1.00  0.00           H  
ATOM    191  N   LEU A  12      -5.325   9.585   8.210  1.00  0.00           N  
ATOM    192  CA  LEU A  12      -5.919   8.289   7.896  1.00  0.00           C  
ATOM    193  C   LEU A  12      -4.979   7.162   8.323  1.00  0.00           C  
ATOM    194  O   LEU A  12      -3.798   7.197   7.982  1.00  0.00           O  
ATOM    195  CB  LEU A  12      -6.217   8.284   6.387  1.00  0.00           C  
ATOM    196  CG  LEU A  12      -6.492   6.898   5.797  1.00  0.00           C  
ATOM    197  CD1 LEU A  12      -7.834   6.391   6.320  1.00  0.00           C  
ATOM    198  CD2 LEU A  12      -6.567   7.018   4.270  1.00  0.00           C  
ATOM    199  H   LEU A  12      -4.515   9.811   7.707  1.00  0.00           H  
ATOM    200  HA  LEU A  12      -6.829   8.184   8.464  1.00  0.00           H  
ATOM    201  HB2 LEU A  12      -7.080   8.906   6.206  1.00  0.00           H  
ATOM    202  HB3 LEU A  12      -5.371   8.717   5.874  1.00  0.00           H  
ATOM    203  HG  LEU A  12      -5.705   6.212   6.073  1.00  0.00           H  
ATOM    204 HD11 LEU A  12      -8.611   7.094   6.059  1.00  0.00           H  
ATOM    205 HD12 LEU A  12      -7.787   6.290   7.395  1.00  0.00           H  
ATOM    206 HD13 LEU A  12      -8.054   5.431   5.878  1.00  0.00           H  
ATOM    207 HD21 LEU A  12      -7.354   7.707   4.001  1.00  0.00           H  
ATOM    208 HD22 LEU A  12      -6.776   6.048   3.843  1.00  0.00           H  
ATOM    209 HD23 LEU A  12      -5.624   7.382   3.891  1.00  0.00           H  
ATOM    210  N   LYS A  13      -5.452   6.216   9.117  1.00  0.00           N  
ATOM    211  CA  LYS A  13      -4.586   5.145   9.615  1.00  0.00           C  
ATOM    212  C   LYS A  13      -5.335   3.826   9.568  1.00  0.00           C  
ATOM    213  O   LYS A  13      -6.520   3.798   9.906  1.00  0.00           O  
ATOM    214  CB  LYS A  13      -4.216   5.395  11.072  1.00  0.00           C  
ATOM    215  CG  LYS A  13      -3.494   6.732  11.214  1.00  0.00           C  
ATOM    216  CD  LYS A  13      -3.038   6.862  12.666  1.00  0.00           C  
ATOM    217  CE  LYS A  13      -2.479   8.259  12.929  1.00  0.00           C  
ATOM    218  NZ  LYS A  13      -2.315   8.426  14.401  1.00  0.00           N  
ATOM    219  H   LYS A  13      -6.339   6.320   9.519  1.00  0.00           H  
ATOM    220  HA  LYS A  13      -3.689   5.132   9.017  1.00  0.00           H  
ATOM    221  HB2 LYS A  13      -5.115   5.409  11.671  1.00  0.00           H  
ATOM    222  HB3 LYS A  13      -3.569   4.602  11.417  1.00  0.00           H  
ATOM    223  HG2 LYS A  13      -2.638   6.757  10.555  1.00  0.00           H  
ATOM    224  HG3 LYS A  13      -4.167   7.541  10.973  1.00  0.00           H  
ATOM    225  HD2 LYS A  13      -3.878   6.686  13.321  1.00  0.00           H  
ATOM    226  HD3 LYS A  13      -2.271   6.129  12.866  1.00  0.00           H  
ATOM    227  HE2 LYS A  13      -1.522   8.366  12.440  1.00  0.00           H  
ATOM    228  HE3 LYS A  13      -3.166   9.003  12.555  1.00  0.00           H  
ATOM    229  HZ1 LYS A  13      -3.095   9.004  14.774  1.00  0.00           H  
ATOM    230  HZ2 LYS A  13      -1.409   8.897  14.596  1.00  0.00           H  
ATOM    231  HZ3 LYS A  13      -2.328   7.493  14.860  1.00  0.00           H  
ATOM    232  N   GLY A  14      -4.730   2.731   9.168  1.00  0.00           N  
ATOM    233  CA  GLY A  14      -5.391   1.450   9.171  1.00  0.00           C  
ATOM    234  C   GLY A  14      -4.677   0.487   8.258  1.00  0.00           C  
ATOM    235  O   GLY A  14      -3.474   0.598   8.004  1.00  0.00           O  
ATOM    236  H   GLY A  14      -3.797   2.774   8.871  1.00  0.00           H  
ATOM    237  HA2 GLY A  14      -5.394   1.053  10.175  1.00  0.00           H  
ATOM    238  HA3 GLY A  14      -6.410   1.571   8.833  1.00  0.00           H  
ATOM    239  N   GLU A  15      -5.464  -0.420   7.718  1.00  0.00           N  
ATOM    240  CA  GLU A  15      -4.977  -1.399   6.762  1.00  0.00           C  
ATOM    241  C   GLU A  15      -6.031  -1.727   5.708  1.00  0.00           C  
ATOM    242  O   GLU A  15      -7.230  -1.641   5.985  1.00  0.00           O  
ATOM    243  CB  GLU A  15      -4.722  -2.751   7.445  1.00  0.00           C  
ATOM    244  CG  GLU A  15      -3.598  -2.699   8.477  1.00  0.00           C  
ATOM    245  CD  GLU A  15      -3.339  -4.110   9.025  1.00  0.00           C  
ATOM    246  OE1 GLU A  15      -4.145  -4.991   8.768  1.00  0.00           O  
ATOM    247  OE2 GLU A  15      -2.338  -4.288   9.699  1.00  0.00           O  
ATOM    248  H   GLU A  15      -6.411  -0.439   7.968  1.00  0.00           H  
ATOM    249  HA  GLU A  15      -4.063  -1.065   6.302  1.00  0.00           H  
ATOM    250  HB2 GLU A  15      -5.630  -3.068   7.937  1.00  0.00           H  
ATOM    251  HB3 GLU A  15      -4.463  -3.480   6.691  1.00  0.00           H  
ATOM    252  HG2 GLU A  15      -2.700  -2.321   8.011  1.00  0.00           H  
ATOM    253  HG3 GLU A  15      -3.884  -2.047   9.289  1.00  0.00           H  
ATOM    254  N   THR A  16      -5.572  -2.139   4.544  1.00  0.00           N  
ATOM    255  CA  THR A  16      -6.460  -2.565   3.469  1.00  0.00           C  
ATOM    256  C   THR A  16      -5.702  -3.639   2.696  1.00  0.00           C  
ATOM    257  O   THR A  16      -4.530  -3.897   2.978  1.00  0.00           O  
ATOM    258  CB  THR A  16      -6.901  -1.384   2.571  1.00  0.00           C  
ATOM    259  OG1 THR A  16      -7.886  -1.869   1.666  1.00  0.00           O  
ATOM    260  CG2 THR A  16      -5.737  -0.763   1.796  1.00  0.00           C  
ATOM    261  H   THR A  16      -4.604  -2.190   4.403  1.00  0.00           H  
ATOM    262  HA  THR A  16      -7.338  -2.999   3.935  1.00  0.00           H  
ATOM    263  HB  THR A  16      -7.351  -0.625   3.195  1.00  0.00           H  
ATOM    264  HG1 THR A  16      -8.483  -1.145   1.463  1.00  0.00           H  
ATOM    265 HG21 THR A  16      -6.107   0.035   1.169  1.00  0.00           H  
ATOM    266 HG22 THR A  16      -5.270  -1.517   1.181  1.00  0.00           H  
ATOM    267 HG23 THR A  16      -5.013  -0.367   2.493  1.00  0.00           H  
ATOM    268  N   THR A  17      -6.376  -4.316   1.786  1.00  0.00           N  
ATOM    269  CA  THR A  17      -5.746  -5.386   1.030  1.00  0.00           C  
ATOM    270  C   THR A  17      -6.151  -5.336  -0.441  1.00  0.00           C  
ATOM    271  O   THR A  17      -7.150  -4.716  -0.807  1.00  0.00           O  
ATOM    272  CB  THR A  17      -6.180  -6.780   1.546  1.00  0.00           C  
ATOM    273  OG1 THR A  17      -7.580  -6.909   1.325  1.00  0.00           O  
ATOM    274  CG2 THR A  17      -5.874  -6.944   3.038  1.00  0.00           C  
ATOM    275  H   THR A  17      -7.307  -4.075   1.595  1.00  0.00           H  
ATOM    276  HA  THR A  17      -4.670  -5.316   1.099  1.00  0.00           H  
ATOM    277  HB  THR A  17      -5.662  -7.546   0.989  1.00  0.00           H  
ATOM    278  HG1 THR A  17      -8.025  -6.235   1.844  1.00  0.00           H  
ATOM    279 HG21 THR A  17      -6.259  -6.093   3.580  1.00  0.00           H  
ATOM    280 HG22 THR A  17      -4.805  -7.009   3.180  1.00  0.00           H  
ATOM    281 HG23 THR A  17      -6.341  -7.846   3.404  1.00  0.00           H  
ATOM    282  N   THR A  18      -5.396  -6.047  -1.254  1.00  0.00           N  
ATOM    283  CA  THR A  18      -5.702  -6.160  -2.673  1.00  0.00           C  
ATOM    284  C   THR A  18      -5.130  -7.489  -3.170  1.00  0.00           C  
ATOM    285  O   THR A  18      -4.173  -8.001  -2.586  1.00  0.00           O  
ATOM    286  CB  THR A  18      -5.130  -4.971  -3.481  1.00  0.00           C  
ATOM    287  OG1 THR A  18      -5.809  -4.895  -4.728  1.00  0.00           O  
ATOM    288  CG2 THR A  18      -3.624  -5.121  -3.725  1.00  0.00           C  
ATOM    289  H   THR A  18      -4.607  -6.511  -0.905  1.00  0.00           H  
ATOM    290  HA  THR A  18      -6.778  -6.183  -2.779  1.00  0.00           H  
ATOM    291  HB  THR A  18      -5.308  -4.059  -2.930  1.00  0.00           H  
ATOM    292  HG1 THR A  18      -6.355  -4.105  -4.722  1.00  0.00           H  
ATOM    293 HG21 THR A  18      -3.461  -5.786  -4.561  1.00  0.00           H  
ATOM    294 HG22 THR A  18      -3.154  -5.530  -2.843  1.00  0.00           H  
ATOM    295 HG23 THR A  18      -3.196  -4.154  -3.946  1.00  0.00           H  
ATOM    296  N   LYS A  19      -5.708  -8.042  -4.222  1.00  0.00           N  
ATOM    297  CA  LYS A  19      -5.203  -9.293  -4.792  1.00  0.00           C  
ATOM    298  C   LYS A  19      -4.531  -8.960  -6.117  1.00  0.00           C  
ATOM    299  O   LYS A  19      -5.081  -8.186  -6.901  1.00  0.00           O  
ATOM    300  CB  LYS A  19      -6.332 -10.296  -5.076  1.00  0.00           C  
ATOM    301  CG  LYS A  19      -7.522 -10.212  -4.110  1.00  0.00           C  
ATOM    302  CD  LYS A  19      -7.368 -11.208  -2.954  1.00  0.00           C  
ATOM    303  CE  LYS A  19      -7.087 -12.627  -3.469  1.00  0.00           C  
ATOM    304  NZ  LYS A  19      -8.074 -13.584  -2.898  1.00  0.00           N  
ATOM    305  H   LYS A  19      -6.506  -7.619  -4.603  1.00  0.00           H  
ATOM    306  HA  LYS A  19      -4.467  -9.742  -4.140  1.00  0.00           H  
ATOM    307  HB2 LYS A  19      -6.701 -10.120  -6.076  1.00  0.00           H  
ATOM    308  HB3 LYS A  19      -5.908 -11.288  -5.045  1.00  0.00           H  
ATOM    309  HG2 LYS A  19      -7.590  -9.212  -3.707  1.00  0.00           H  
ATOM    310  HG3 LYS A  19      -8.432 -10.436  -4.647  1.00  0.00           H  
ATOM    311  HD2 LYS A  19      -6.553 -10.890  -2.321  1.00  0.00           H  
ATOM    312  HD3 LYS A  19      -8.279 -11.217  -2.374  1.00  0.00           H  
ATOM    313  HE2 LYS A  19      -7.173 -12.655  -4.545  1.00  0.00           H  
ATOM    314  HE3 LYS A  19      -6.090 -12.928  -3.181  1.00  0.00           H  
ATOM    315  HZ1 LYS A  19      -8.706 -13.081  -2.243  1.00  0.00           H  
ATOM    316  HZ2 LYS A  19      -7.571 -14.337  -2.386  1.00  0.00           H  
ATOM    317  HZ3 LYS A  19      -8.636 -14.003  -3.666  1.00  0.00           H  
ATOM    318  N   ALA A  20      -3.370  -9.530  -6.384  1.00  0.00           N  
ATOM    319  CA  ALA A  20      -2.686  -9.280  -7.651  1.00  0.00           C  
ATOM    320  C   ALA A  20      -1.780 -10.454  -8.016  1.00  0.00           C  
ATOM    321  O   ALA A  20      -1.401 -11.259  -7.166  1.00  0.00           O  
ATOM    322  CB  ALA A  20      -1.859  -8.008  -7.553  1.00  0.00           C  
ATOM    323  H   ALA A  20      -2.985 -10.169  -5.749  1.00  0.00           H  
ATOM    324  HA  ALA A  20      -3.410  -9.169  -8.444  1.00  0.00           H  
ATOM    325  HB1 ALA A  20      -1.628  -7.652  -8.546  1.00  0.00           H  
ATOM    326  HB2 ALA A  20      -2.421  -7.254  -7.022  1.00  0.00           H  
ATOM    327  HB3 ALA A  20      -0.941  -8.213  -7.021  1.00  0.00           H  
ATOM    328  N   VAL A  21      -1.454 -10.540  -9.294  1.00  0.00           N  
ATOM    329  CA  VAL A  21      -0.601 -11.627  -9.767  1.00  0.00           C  
ATOM    330  C   VAL A  21       0.869 -11.399  -9.421  1.00  0.00           C  
ATOM    331  O   VAL A  21       1.635 -12.355  -9.335  1.00  0.00           O  
ATOM    332  CB  VAL A  21      -0.702 -11.821 -11.296  1.00  0.00           C  
ATOM    333  CG1 VAL A  21      -2.105 -12.316 -11.660  1.00  0.00           C  
ATOM    334  CG2 VAL A  21      -0.376 -10.535 -12.052  1.00  0.00           C  
ATOM    335  H   VAL A  21      -1.901  -9.955  -9.941  1.00  0.00           H  
ATOM    336  HA  VAL A  21      -0.897 -12.559  -9.307  1.00  0.00           H  
ATOM    337  HB  VAL A  21       0.008 -12.583 -11.586  1.00  0.00           H  
ATOM    338 HG11 VAL A  21      -2.234 -13.327 -11.300  1.00  0.00           H  
ATOM    339 HG12 VAL A  21      -2.227 -12.297 -12.732  1.00  0.00           H  
ATOM    340 HG13 VAL A  21      -2.843 -11.675 -11.202  1.00  0.00           H  
ATOM    341 HG21 VAL A  21      -0.377 -10.732 -13.114  1.00  0.00           H  
ATOM    342 HG22 VAL A  21       0.598 -10.178 -11.752  1.00  0.00           H  
ATOM    343 HG23 VAL A  21      -1.120  -9.786 -11.824  1.00  0.00           H  
ATOM    344  N   ASP A  22       1.276 -10.156  -9.223  1.00  0.00           N  
ATOM    345  CA  ASP A  22       2.660  -9.851  -8.863  1.00  0.00           C  
ATOM    346  C   ASP A  22       2.712  -8.563  -8.045  1.00  0.00           C  
ATOM    347  O   ASP A  22       1.717  -7.847  -7.917  1.00  0.00           O  
ATOM    348  CB  ASP A  22       3.551  -9.781 -10.109  1.00  0.00           C  
ATOM    349  CG  ASP A  22       3.081  -8.703 -11.090  1.00  0.00           C  
ATOM    350  OD1 ASP A  22       2.618  -7.668 -10.641  1.00  0.00           O  
ATOM    351  OD2 ASP A  22       3.209  -8.926 -12.284  1.00  0.00           O  
ATOM    352  H   ASP A  22       0.624  -9.424  -9.225  1.00  0.00           H  
ATOM    353  HA  ASP A  22       3.037 -10.616  -8.200  1.00  0.00           H  
ATOM    354  HB2 ASP A  22       4.563  -9.559  -9.805  1.00  0.00           H  
ATOM    355  HB3 ASP A  22       3.535 -10.740 -10.605  1.00  0.00           H  
ATOM    356  N   ALA A  23       3.866  -8.312  -7.455  1.00  0.00           N  
ATOM    357  CA  ALA A  23       4.028  -7.149  -6.587  1.00  0.00           C  
ATOM    358  C   ALA A  23       3.926  -5.826  -7.338  1.00  0.00           C  
ATOM    359  O   ALA A  23       3.417  -4.854  -6.780  1.00  0.00           O  
ATOM    360  CB  ALA A  23       5.345  -7.236  -5.833  1.00  0.00           C  
ATOM    361  H   ALA A  23       4.615  -8.938  -7.536  1.00  0.00           H  
ATOM    362  HA  ALA A  23       3.219  -7.140  -5.875  1.00  0.00           H  
ATOM    363  HB1 ALA A  23       5.423  -8.201  -5.354  1.00  0.00           H  
ATOM    364  HB2 ALA A  23       6.165  -7.110  -6.525  1.00  0.00           H  
ATOM    365  HB3 ALA A  23       5.384  -6.458  -5.085  1.00  0.00           H  
ATOM    366  N   GLU A  24       4.417  -5.757  -8.562  1.00  0.00           N  
ATOM    367  CA  GLU A  24       4.358  -4.491  -9.285  1.00  0.00           C  
ATOM    368  C   GLU A  24       2.908  -4.119  -9.600  1.00  0.00           C  
ATOM    369  O   GLU A  24       2.549  -2.943  -9.533  1.00  0.00           O  
ATOM    370  CB  GLU A  24       5.298  -4.521 -10.509  1.00  0.00           C  
ATOM    371  CG  GLU A  24       4.612  -4.765 -11.858  1.00  0.00           C  
ATOM    372  CD  GLU A  24       5.584  -4.440 -13.004  1.00  0.00           C  
ATOM    373  OE1 GLU A  24       5.624  -3.294 -13.432  1.00  0.00           O  
ATOM    374  OE2 GLU A  24       6.266  -5.353 -13.445  1.00  0.00           O  
ATOM    375  H   GLU A  24       4.837  -6.542  -8.972  1.00  0.00           H  
ATOM    376  HA  GLU A  24       4.710  -3.736  -8.595  1.00  0.00           H  
ATOM    377  HB2 GLU A  24       5.819  -3.576 -10.561  1.00  0.00           H  
ATOM    378  HB3 GLU A  24       6.026  -5.303 -10.355  1.00  0.00           H  
ATOM    379  HG2 GLU A  24       4.311  -5.800 -11.925  1.00  0.00           H  
ATOM    380  HG3 GLU A  24       3.742  -4.132 -11.944  1.00  0.00           H  
ATOM    381  N   THR A  25       2.066  -5.098  -9.876  1.00  0.00           N  
ATOM    382  CA  THR A  25       0.657  -4.811 -10.140  1.00  0.00           C  
ATOM    383  C   THR A  25      -0.020  -4.335  -8.858  1.00  0.00           C  
ATOM    384  O   THR A  25      -0.835  -3.411  -8.887  1.00  0.00           O  
ATOM    385  CB  THR A  25      -0.080  -6.051 -10.687  1.00  0.00           C  
ATOM    386  OG1 THR A  25       0.526  -6.429 -11.916  1.00  0.00           O  
ATOM    387  CG2 THR A  25      -1.562  -5.731 -10.915  1.00  0.00           C  
ATOM    388  H   THR A  25       2.381  -6.026  -9.873  1.00  0.00           H  
ATOM    389  HA  THR A  25       0.603  -4.016 -10.869  1.00  0.00           H  
ATOM    390  HB  THR A  25       0.008  -6.861  -9.980  1.00  0.00           H  
ATOM    391  HG1 THR A  25       1.010  -7.245 -11.769  1.00  0.00           H  
ATOM    392 HG21 THR A  25      -2.071  -5.687  -9.964  1.00  0.00           H  
ATOM    393 HG22 THR A  25      -2.007  -6.504 -11.525  1.00  0.00           H  
ATOM    394 HG23 THR A  25      -1.653  -4.780 -11.417  1.00  0.00           H  
ATOM    395  N   ALA A  26       0.333  -4.944  -7.742  1.00  0.00           N  
ATOM    396  CA  ALA A  26      -0.242  -4.538  -6.465  1.00  0.00           C  
ATOM    397  C   ALA A  26       0.226  -3.125  -6.126  1.00  0.00           C  
ATOM    398  O   ALA A  26      -0.561  -2.307  -5.649  1.00  0.00           O  
ATOM    399  CB  ALA A  26       0.162  -5.508  -5.363  1.00  0.00           C  
ATOM    400  H   ALA A  26       0.999  -5.663  -7.770  1.00  0.00           H  
ATOM    401  HA  ALA A  26      -1.318  -4.532  -6.559  1.00  0.00           H  
ATOM    402  HB1 ALA A  26       1.237  -5.614  -5.352  1.00  0.00           H  
ATOM    403  HB2 ALA A  26      -0.172  -5.127  -4.409  1.00  0.00           H  
ATOM    404  HB3 ALA A  26      -0.293  -6.470  -5.545  1.00  0.00           H  
ATOM    405  N   GLU A  27       1.492  -2.837  -6.383  1.00  0.00           N  
ATOM    406  CA  GLU A  27       2.032  -1.505  -6.100  1.00  0.00           C  
ATOM    407  C   GLU A  27       1.253  -0.433  -6.853  1.00  0.00           C  
ATOM    408  O   GLU A  27       0.911   0.600  -6.275  1.00  0.00           O  
ATOM    409  CB  GLU A  27       3.518  -1.430  -6.457  1.00  0.00           C  
ATOM    410  CG  GLU A  27       4.056  -0.027  -6.149  1.00  0.00           C  
ATOM    411  CD  GLU A  27       5.503   0.084  -6.627  1.00  0.00           C  
ATOM    412  OE1 GLU A  27       6.288  -0.750  -6.208  1.00  0.00           O  
ATOM    413  OE2 GLU A  27       5.797   0.986  -7.398  1.00  0.00           O  
ATOM    414  H   GLU A  27       2.074  -3.522  -6.773  1.00  0.00           H  
ATOM    415  HA  GLU A  27       1.900  -1.295  -5.050  1.00  0.00           H  
ATOM    416  HB2 GLU A  27       4.064  -2.159  -5.876  1.00  0.00           H  
ATOM    417  HB3 GLU A  27       3.646  -1.640  -7.508  1.00  0.00           H  
ATOM    418  HG2 GLU A  27       3.457   0.710  -6.660  1.00  0.00           H  
ATOM    419  HG3 GLU A  27       4.016   0.149  -5.085  1.00  0.00           H  
ATOM    420  N   LYS A  28       0.980  -0.655  -8.126  1.00  0.00           N  
ATOM    421  CA  LYS A  28       0.238   0.326  -8.915  1.00  0.00           C  
ATOM    422  C   LYS A  28      -1.151   0.539  -8.321  1.00  0.00           C  
ATOM    423  O   LYS A  28      -1.601   1.680  -8.219  1.00  0.00           O  
ATOM    424  CB  LYS A  28       0.107  -0.124 -10.377  1.00  0.00           C  
ATOM    425  CG  LYS A  28       1.378   0.184 -11.171  1.00  0.00           C  
ATOM    426  CD  LYS A  28       1.329  -0.516 -12.536  1.00  0.00           C  
ATOM    427  CE  LYS A  28       2.688  -0.386 -13.236  1.00  0.00           C  
ATOM    428  NZ  LYS A  28       3.073  -1.690 -13.848  1.00  0.00           N  
ATOM    429  H   LYS A  28       1.275  -1.491  -8.543  1.00  0.00           H  
ATOM    430  HA  LYS A  28       0.727   1.285  -8.868  1.00  0.00           H  
ATOM    431  HB2 LYS A  28      -0.076  -1.188 -10.403  1.00  0.00           H  
ATOM    432  HB3 LYS A  28      -0.727   0.389 -10.834  1.00  0.00           H  
ATOM    433  HG2 LYS A  28       1.460   1.251 -11.317  1.00  0.00           H  
ATOM    434  HG3 LYS A  28       2.236  -0.169 -10.618  1.00  0.00           H  
ATOM    435  HD2 LYS A  28       1.097  -1.561 -12.394  1.00  0.00           H  
ATOM    436  HD3 LYS A  28       0.564  -0.059 -13.147  1.00  0.00           H  
ATOM    437  HE2 LYS A  28       2.624   0.363 -14.011  1.00  0.00           H  
ATOM    438  HE3 LYS A  28       3.444  -0.093 -12.522  1.00  0.00           H  
ATOM    439  HZ1 LYS A  28       3.103  -1.593 -14.883  1.00  0.00           H  
ATOM    440  HZ2 LYS A  28       2.373  -2.414 -13.587  1.00  0.00           H  
ATOM    441  HZ3 LYS A  28       4.011  -1.973 -13.501  1.00  0.00           H  
ATOM    442  N   ALA A  29      -1.812  -0.528  -7.916  1.00  0.00           N  
ATOM    443  CA  ALA A  29      -3.142  -0.403  -7.325  1.00  0.00           C  
ATOM    444  C   ALA A  29      -3.079   0.383  -6.020  1.00  0.00           C  
ATOM    445  O   ALA A  29      -3.930   1.237  -5.769  1.00  0.00           O  
ATOM    446  CB  ALA A  29      -3.772  -1.768  -7.094  1.00  0.00           C  
ATOM    447  H   ALA A  29      -1.377  -1.406  -7.952  1.00  0.00           H  
ATOM    448  HA  ALA A  29      -3.774   0.177  -7.979  1.00  0.00           H  
ATOM    449  HB1 ALA A  29      -4.741  -1.644  -6.633  1.00  0.00           H  
ATOM    450  HB2 ALA A  29      -3.887  -2.277  -8.040  1.00  0.00           H  
ATOM    451  HB3 ALA A  29      -3.138  -2.353  -6.445  1.00  0.00           H  
ATOM    452  N   PHE A  30      -2.095   0.089  -5.190  1.00  0.00           N  
ATOM    453  CA  PHE A  30      -1.963   0.775  -3.907  1.00  0.00           C  
ATOM    454  C   PHE A  30      -1.528   2.229  -4.091  1.00  0.00           C  
ATOM    455  O   PHE A  30      -1.995   3.089  -3.344  1.00  0.00           O  
ATOM    456  CB  PHE A  30      -0.960   0.048  -3.005  1.00  0.00           C  
ATOM    457  CG  PHE A  30      -1.518  -1.223  -2.391  1.00  0.00           C  
ATOM    458  CD1 PHE A  30      -2.868  -1.343  -2.023  1.00  0.00           C  
ATOM    459  CD2 PHE A  30      -0.640  -2.291  -2.154  1.00  0.00           C  
ATOM    460  CE1 PHE A  30      -3.330  -2.521  -1.420  1.00  0.00           C  
ATOM    461  CE2 PHE A  30      -1.104  -3.471  -1.561  1.00  0.00           C  
ATOM    462  CZ  PHE A  30      -2.450  -3.586  -1.193  1.00  0.00           C  
ATOM    463  H   PHE A  30      -1.458  -0.625  -5.402  1.00  0.00           H  
ATOM    464  HA  PHE A  30      -2.922   0.797  -3.420  1.00  0.00           H  
ATOM    465  HB2 PHE A  30      -0.089  -0.204  -3.590  1.00  0.00           H  
ATOM    466  HB3 PHE A  30      -0.660   0.715  -2.210  1.00  0.00           H  
ATOM    467  HD1 PHE A  30      -3.556  -0.530  -2.195  1.00  0.00           H  
ATOM    468  HD2 PHE A  30       0.399  -2.205  -2.436  1.00  0.00           H  
ATOM    469  HE1 PHE A  30      -4.368  -2.611  -1.138  1.00  0.00           H  
ATOM    470  HE2 PHE A  30      -0.424  -4.291  -1.386  1.00  0.00           H  
ATOM    471  HZ  PHE A  30      -2.808  -4.495  -0.732  1.00  0.00           H  
ATOM    472  N   LYS A  31      -0.678   2.530  -5.060  1.00  0.00           N  
ATOM    473  CA  LYS A  31      -0.278   3.919  -5.281  1.00  0.00           C  
ATOM    474  C   LYS A  31      -1.491   4.722  -5.752  1.00  0.00           C  
ATOM    475  O   LYS A  31      -1.657   5.873  -5.352  1.00  0.00           O  
ATOM    476  CB  LYS A  31       0.858   4.008  -6.309  1.00  0.00           C  
ATOM    477  CG  LYS A  31       2.148   3.360  -5.778  1.00  0.00           C  
ATOM    478  CD  LYS A  31       3.138   4.434  -5.309  1.00  0.00           C  
ATOM    479  CE  LYS A  31       4.365   3.795  -4.645  1.00  0.00           C  
ATOM    480  NZ  LYS A  31       5.525   3.819  -5.582  1.00  0.00           N  
ATOM    481  H   LYS A  31      -0.269   1.824  -5.603  1.00  0.00           H  
ATOM    482  HA  LYS A  31       0.040   4.368  -4.352  1.00  0.00           H  
ATOM    483  HB2 LYS A  31       0.552   3.501  -7.213  1.00  0.00           H  
ATOM    484  HB3 LYS A  31       1.046   5.047  -6.537  1.00  0.00           H  
ATOM    485  HG2 LYS A  31       1.910   2.707  -4.952  1.00  0.00           H  
ATOM    486  HG3 LYS A  31       2.605   2.783  -6.568  1.00  0.00           H  
ATOM    487  HD2 LYS A  31       3.458   5.017  -6.161  1.00  0.00           H  
ATOM    488  HD3 LYS A  31       2.645   5.083  -4.600  1.00  0.00           H  
ATOM    489  HE2 LYS A  31       4.620   4.348  -3.753  1.00  0.00           H  
ATOM    490  HE3 LYS A  31       4.145   2.771  -4.376  1.00  0.00           H  
ATOM    491  HZ1 LYS A  31       6.085   2.952  -5.463  1.00  0.00           H  
ATOM    492  HZ2 LYS A  31       6.118   4.648  -5.376  1.00  0.00           H  
ATOM    493  HZ3 LYS A  31       5.179   3.874  -6.561  1.00  0.00           H  
ATOM    494  N   GLN A  32      -2.364   4.124  -6.547  1.00  0.00           N  
ATOM    495  CA  GLN A  32      -3.578   4.806  -6.997  1.00  0.00           C  
ATOM    496  C   GLN A  32      -4.492   5.035  -5.797  1.00  0.00           C  
ATOM    497  O   GLN A  32      -5.053   6.118  -5.634  1.00  0.00           O  
ATOM    498  CB  GLN A  32      -4.287   3.995  -8.085  1.00  0.00           C  
ATOM    499  CG  GLN A  32      -5.509   4.768  -8.587  1.00  0.00           C  
ATOM    500  CD  GLN A  32      -5.044   6.003  -9.359  1.00  0.00           C  
ATOM    501  OE1 GLN A  32      -4.538   5.886 -10.459  1.00  0.00           O  
ATOM    502  NE2 GLN A  32      -5.190   7.186  -8.825  1.00  0.00           N  
ATOM    503  H   GLN A  32      -2.165   3.225  -6.885  1.00  0.00           H  
ATOM    504  HA  GLN A  32      -3.362   5.799  -7.360  1.00  0.00           H  
ATOM    505  HB2 GLN A  32      -3.606   3.824  -8.906  1.00  0.00           H  
ATOM    506  HB3 GLN A  32      -4.606   3.048  -7.677  1.00  0.00           H  
ATOM    507  HG2 GLN A  32      -6.091   4.133  -9.239  1.00  0.00           H  
ATOM    508  HG3 GLN A  32      -6.117   5.076  -7.750  1.00  0.00           H  
ATOM    509 HE21 GLN A  32      -5.594   7.277  -7.937  1.00  0.00           H  
ATOM    510 HE22 GLN A  32      -4.894   7.984  -9.313  1.00  0.00           H  
ATOM    511  N   TYR A  33      -4.626   4.023  -4.967  1.00  0.00           N  
ATOM    512  CA  TYR A  33      -5.453   4.092  -3.767  1.00  0.00           C  
ATOM    513  C   TYR A  33      -4.961   5.222  -2.865  1.00  0.00           C  
ATOM    514  O   TYR A  33      -5.754   6.022  -2.365  1.00  0.00           O  
ATOM    515  CB  TYR A  33      -5.434   2.734  -3.057  1.00  0.00           C  
ATOM    516  CG  TYR A  33      -5.920   2.780  -1.628  1.00  0.00           C  
ATOM    517  CD1 TYR A  33      -7.278   2.591  -1.340  1.00  0.00           C  
ATOM    518  CD2 TYR A  33      -5.002   2.940  -0.582  1.00  0.00           C  
ATOM    519  CE1 TYR A  33      -7.715   2.558  -0.009  1.00  0.00           C  
ATOM    520  CE2 TYR A  33      -5.441   2.927   0.748  1.00  0.00           C  
ATOM    521  CZ  TYR A  33      -6.797   2.738   1.034  1.00  0.00           C  
ATOM    522  OH  TYR A  33      -7.214   2.679   2.347  1.00  0.00           O  
ATOM    523  H   TYR A  33      -4.152   3.187  -5.159  1.00  0.00           H  
ATOM    524  HA  TYR A  33      -6.467   4.343  -4.040  1.00  0.00           H  
ATOM    525  HB2 TYR A  33      -6.058   2.047  -3.609  1.00  0.00           H  
ATOM    526  HB3 TYR A  33      -4.421   2.361  -3.068  1.00  0.00           H  
ATOM    527  HD1 TYR A  33      -7.988   2.467  -2.144  1.00  0.00           H  
ATOM    528  HD2 TYR A  33      -3.955   3.086  -0.802  1.00  0.00           H  
ATOM    529  HE1 TYR A  33      -8.762   2.413   0.213  1.00  0.00           H  
ATOM    530  HE2 TYR A  33      -4.732   3.067   1.550  1.00  0.00           H  
ATOM    531  HH  TYR A  33      -7.730   3.468   2.530  1.00  0.00           H  
ATOM    532  N   ALA A  34      -3.662   5.297  -2.647  1.00  0.00           N  
ATOM    533  CA  ALA A  34      -3.091   6.337  -1.804  1.00  0.00           C  
ATOM    534  C   ALA A  34      -3.364   7.716  -2.397  1.00  0.00           C  
ATOM    535  O   ALA A  34      -3.772   8.625  -1.673  1.00  0.00           O  
ATOM    536  CB  ALA A  34      -1.596   6.114  -1.621  1.00  0.00           C  
ATOM    537  H   ALA A  34      -3.067   4.614  -3.021  1.00  0.00           H  
ATOM    538  HA  ALA A  34      -3.568   6.322  -0.835  1.00  0.00           H  
ATOM    539  HB1 ALA A  34      -1.437   5.276  -0.958  1.00  0.00           H  
ATOM    540  HB2 ALA A  34      -1.143   5.907  -2.579  1.00  0.00           H  
ATOM    541  HB3 ALA A  34      -1.148   7.000  -1.195  1.00  0.00           H  
ATOM    542  N   ASN A  35      -3.154   7.880  -3.695  1.00  0.00           N  
ATOM    543  CA  ASN A  35      -3.401   9.179  -4.319  1.00  0.00           C  
ATOM    544  C   ASN A  35      -4.869   9.567  -4.179  1.00  0.00           C  
ATOM    545  O   ASN A  35      -5.171  10.720  -3.868  1.00  0.00           O  
ATOM    546  CB  ASN A  35      -3.042   9.166  -5.811  1.00  0.00           C  
ATOM    547  CG  ASN A  35      -1.538   9.149  -6.102  1.00  0.00           C  
ATOM    548  OD1 ASN A  35      -0.701   9.155  -5.218  1.00  0.00           O  
ATOM    549  ND2 ASN A  35      -1.170   9.126  -7.356  1.00  0.00           N  
ATOM    550  H   ASN A  35      -2.862   7.140  -4.268  1.00  0.00           H  
ATOM    551  HA  ASN A  35      -2.829   9.935  -3.808  1.00  0.00           H  
ATOM    552  HB2 ASN A  35      -3.484   8.290  -6.262  1.00  0.00           H  
ATOM    553  HB3 ASN A  35      -3.473  10.041  -6.276  1.00  0.00           H  
ATOM    554 HD21 ASN A  35      -1.846   9.120  -8.066  1.00  0.00           H  
ATOM    555 HD22 ASN A  35      -0.217   9.114  -7.587  1.00  0.00           H  
ATOM    556  N   ASP A  36      -5.771   8.629  -4.415  1.00  0.00           N  
ATOM    557  CA  ASP A  36      -7.205   8.897  -4.326  1.00  0.00           C  
ATOM    558  C   ASP A  36      -7.594   9.331  -2.913  1.00  0.00           C  
ATOM    559  O   ASP A  36      -8.560  10.078  -2.745  1.00  0.00           O  
ATOM    560  CB  ASP A  36      -8.025   7.666  -4.744  1.00  0.00           C  
ATOM    561  CG  ASP A  36      -7.943   7.373  -6.245  1.00  0.00           C  
ATOM    562  OD1 ASP A  36      -7.502   8.241  -6.980  1.00  0.00           O  
ATOM    563  OD2 ASP A  36      -8.338   6.283  -6.635  1.00  0.00           O  
ATOM    564  H   ASP A  36      -5.465   7.750  -4.723  1.00  0.00           H  
ATOM    565  HA  ASP A  36      -7.446   9.739  -4.953  1.00  0.00           H  
ATOM    566  HB2 ASP A  36      -7.661   6.806  -4.204  1.00  0.00           H  
ATOM    567  HB3 ASP A  36      -9.059   7.831  -4.477  1.00  0.00           H  
ATOM    568  N   ASN A  37      -6.865   8.867  -1.919  1.00  0.00           N  
ATOM    569  CA  ASN A  37      -7.161   9.189  -0.525  1.00  0.00           C  
ATOM    570  C   ASN A  37      -6.261  10.287   0.031  1.00  0.00           C  
ATOM    571  O   ASN A  37      -6.310  10.559   1.231  1.00  0.00           O  
ATOM    572  CB  ASN A  37      -7.036   7.936   0.337  1.00  0.00           C  
ATOM    573  CG  ASN A  37      -8.232   7.038   0.027  1.00  0.00           C  
ATOM    574  OD1 ASN A  37      -9.347   7.345   0.409  1.00  0.00           O  
ATOM    575  ND2 ASN A  37      -8.046   5.954  -0.679  1.00  0.00           N  
ATOM    576  H   ASN A  37      -6.091   8.299  -2.115  1.00  0.00           H  
ATOM    577  HA  ASN A  37      -8.164   9.574  -0.425  1.00  0.00           H  
ATOM    578  HB2 ASN A  37      -6.117   7.420   0.100  1.00  0.00           H  
ATOM    579  HB3 ASN A  37      -7.048   8.204   1.383  1.00  0.00           H  
ATOM    580 HD21 ASN A  37      -7.149   5.728  -1.001  1.00  0.00           H  
ATOM    581 HD22 ASN A  37      -8.803   5.368  -0.885  1.00  0.00           H  
ATOM    582  N   GLY A  38      -5.498  10.949  -0.816  1.00  0.00           N  
ATOM    583  CA  GLY A  38      -4.676  12.063  -0.386  1.00  0.00           C  
ATOM    584  C   GLY A  38      -3.467  11.720   0.457  1.00  0.00           C  
ATOM    585  O   GLY A  38      -2.955  12.593   1.159  1.00  0.00           O  
ATOM    586  H   GLY A  38      -5.462  10.689  -1.760  1.00  0.00           H  
ATOM    587  HA2 GLY A  38      -4.333  12.584  -1.267  1.00  0.00           H  
ATOM    588  HA3 GLY A  38      -5.299  12.737   0.183  1.00  0.00           H  
ATOM    589  N   VAL A  39      -2.979  10.495   0.415  1.00  0.00           N  
ATOM    590  CA  VAL A  39      -1.820  10.090   1.197  1.00  0.00           C  
ATOM    591  C   VAL A  39      -0.556  10.297   0.360  1.00  0.00           C  
ATOM    592  O   VAL A  39      -0.466   9.831  -0.776  1.00  0.00           O  
ATOM    593  CB  VAL A  39      -1.939   8.613   1.642  1.00  0.00           C  
ATOM    594  CG1 VAL A  39      -0.644   8.145   2.309  1.00  0.00           C  
ATOM    595  CG2 VAL A  39      -3.099   8.464   2.634  1.00  0.00           C  
ATOM    596  H   VAL A  39      -3.414   9.833  -0.163  1.00  0.00           H  
ATOM    597  HA  VAL A  39      -1.756  10.721   2.072  1.00  0.00           H  
ATOM    598  HB  VAL A  39      -2.132   7.998   0.775  1.00  0.00           H  
ATOM    599 HG11 VAL A  39      -0.813   7.200   2.805  1.00  0.00           H  
ATOM    600 HG12 VAL A  39      -0.327   8.880   3.034  1.00  0.00           H  
ATOM    601 HG13 VAL A  39       0.124   8.025   1.559  1.00  0.00           H  
ATOM    602 HG21 VAL A  39      -2.900   9.060   3.513  1.00  0.00           H  
ATOM    603 HG22 VAL A  39      -3.199   7.427   2.918  1.00  0.00           H  
ATOM    604 HG23 VAL A  39      -4.014   8.800   2.171  1.00  0.00           H  
ATOM    605  N   ASP A  40       0.393  11.015   0.933  1.00  0.00           N  
ATOM    606  CA  ASP A  40       1.671  11.321   0.291  1.00  0.00           C  
ATOM    607  C   ASP A  40       2.780  10.970   1.278  1.00  0.00           C  
ATOM    608  O   ASP A  40       3.141  11.785   2.129  1.00  0.00           O  
ATOM    609  CB  ASP A  40       1.742  12.811  -0.075  1.00  0.00           C  
ATOM    610  CG  ASP A  40       3.105  13.166  -0.682  1.00  0.00           C  
ATOM    611  OD1 ASP A  40       3.663  12.340  -1.390  1.00  0.00           O  
ATOM    612  OD2 ASP A  40       3.565  14.271  -0.433  1.00  0.00           O  
ATOM    613  H   ASP A  40       0.232  11.362   1.836  1.00  0.00           H  
ATOM    614  HA  ASP A  40       1.782  10.722  -0.602  1.00  0.00           H  
ATOM    615  HB2 ASP A  40       0.966  13.037  -0.792  1.00  0.00           H  
ATOM    616  HB3 ASP A  40       1.585  13.403   0.815  1.00  0.00           H  
ATOM    617  N   GLY A  41       3.279   9.749   1.205  1.00  0.00           N  
ATOM    618  CA  GLY A  41       4.305   9.316   2.141  1.00  0.00           C  
ATOM    619  C   GLY A  41       5.441   8.563   1.479  1.00  0.00           C  
ATOM    620  O   GLY A  41       5.585   8.579   0.256  1.00  0.00           O  
ATOM    621  H   GLY A  41       2.934   9.121   0.537  1.00  0.00           H  
ATOM    622  HA2 GLY A  41       4.714  10.179   2.646  1.00  0.00           H  
ATOM    623  HA3 GLY A  41       3.847   8.670   2.875  1.00  0.00           H  
ATOM    624  N   VAL A  42       6.236   7.899   2.301  1.00  0.00           N  
ATOM    625  CA  VAL A  42       7.351   7.101   1.805  1.00  0.00           C  
ATOM    626  C   VAL A  42       6.925   5.640   1.923  1.00  0.00           C  
ATOM    627  O   VAL A  42       6.141   5.297   2.815  1.00  0.00           O  
ATOM    628  CB  VAL A  42       8.645   7.399   2.578  1.00  0.00           C  
ATOM    629  CG1 VAL A  42       9.042   8.841   2.231  1.00  0.00           C  
ATOM    630  CG2 VAL A  42       8.476   7.256   4.080  1.00  0.00           C  
ATOM    631  H   VAL A  42       6.072   7.969   3.264  1.00  0.00           H  
ATOM    632  HA  VAL A  42       7.513   7.438   0.784  1.00  0.00           H  
ATOM    633  HB  VAL A  42       9.421   6.730   2.232  1.00  0.00           H  
ATOM    634 HG11 VAL A  42       9.884   9.139   2.838  1.00  0.00           H  
ATOM    635 HG12 VAL A  42       8.209   9.501   2.424  1.00  0.00           H  
ATOM    636 HG13 VAL A  42       9.313   8.899   1.187  1.00  0.00           H  
ATOM    637 HG21 VAL A  42       8.374   6.211   4.330  1.00  0.00           H  
ATOM    638 HG22 VAL A  42       7.595   7.797   4.388  1.00  0.00           H  
ATOM    639 HG23 VAL A  42       9.342   7.663   4.581  1.00  0.00           H  
ATOM    640  N   TRP A  43       7.362   4.813   1.009  1.00  0.00           N  
ATOM    641  CA  TRP A  43       6.956   3.413   0.951  1.00  0.00           C  
ATOM    642  C   TRP A  43       8.069   2.394   1.211  1.00  0.00           C  
ATOM    643  O   TRP A  43       9.191   2.535   0.730  1.00  0.00           O  
ATOM    644  CB  TRP A  43       6.486   3.111  -0.459  1.00  0.00           C  
ATOM    645  CG  TRP A  43       5.274   3.914  -0.780  1.00  0.00           C  
ATOM    646  CD1 TRP A  43       5.197   5.250  -1.004  1.00  0.00           C  
ATOM    647  CD2 TRP A  43       3.938   3.390  -0.936  1.00  0.00           C  
ATOM    648  NE1 TRP A  43       3.882   5.576  -1.288  1.00  0.00           N  
ATOM    649  CE2 TRP A  43       3.070   4.461  -1.256  1.00  0.00           C  
ATOM    650  CE3 TRP A  43       3.413   2.094  -0.826  1.00  0.00           C  
ATOM    651  CZ2 TRP A  43       1.708   4.244  -1.464  1.00  0.00           C  
ATOM    652  CZ3 TRP A  43       2.048   1.875  -1.034  1.00  0.00           C  
ATOM    653  CH2 TRP A  43       1.200   2.945  -1.352  1.00  0.00           C  
ATOM    654  H   TRP A  43       7.920   5.192   0.297  1.00  0.00           H  
ATOM    655  HA  TRP A  43       6.141   3.223   1.626  1.00  0.00           H  
ATOM    656  HB2 TRP A  43       7.272   3.357  -1.158  1.00  0.00           H  
ATOM    657  HB3 TRP A  43       6.250   2.060  -0.544  1.00  0.00           H  
ATOM    658  HD1 TRP A  43       6.024   5.943  -0.967  1.00  0.00           H  
ATOM    659  HE1 TRP A  43       3.550   6.476  -1.488  1.00  0.00           H  
ATOM    660  HE3 TRP A  43       4.061   1.266  -0.582  1.00  0.00           H  
ATOM    661  HZ2 TRP A  43       1.055   5.068  -1.708  1.00  0.00           H  
ATOM    662  HZ3 TRP A  43       1.645   0.876  -0.950  1.00  0.00           H  
ATOM    663  HH2 TRP A  43       0.147   2.768  -1.510  1.00  0.00           H  
ATOM    664  N   THR A  44       7.663   1.283   1.816  1.00  0.00           N  
ATOM    665  CA  THR A  44       8.511   0.095   1.909  1.00  0.00           C  
ATOM    666  C   THR A  44       7.668  -1.103   1.474  1.00  0.00           C  
ATOM    667  O   THR A  44       6.435  -1.077   1.466  1.00  0.00           O  
ATOM    668  CB  THR A  44       8.998  -0.228   3.344  1.00  0.00           C  
ATOM    669  OG1 THR A  44       7.879  -0.519   4.177  1.00  0.00           O  
ATOM    670  CG2 THR A  44       9.822   0.905   3.952  1.00  0.00           C  
ATOM    671  H   THR A  44       6.763   1.239   2.201  1.00  0.00           H  
ATOM    672  HA  THR A  44       9.346   0.181   1.231  1.00  0.00           H  
ATOM    673  HB  THR A  44       9.618  -1.112   3.296  1.00  0.00           H  
ATOM    674  HG1 THR A  44       7.543   0.311   4.523  1.00  0.00           H  
ATOM    675 HG21 THR A  44      10.013   0.692   4.993  1.00  0.00           H  
ATOM    676 HG22 THR A  44       9.276   1.833   3.867  1.00  0.00           H  
ATOM    677 HG23 THR A  44      10.761   0.990   3.424  1.00  0.00           H  
ATOM    678  N   TYR A  45       8.386  -2.145   1.123  1.00  0.00           N  
ATOM    679  CA  TYR A  45       7.765  -3.402   0.729  1.00  0.00           C  
ATOM    680  C   TYR A  45       8.602  -4.511   1.343  1.00  0.00           C  
ATOM    681  O   TYR A  45       9.826  -4.521   1.193  1.00  0.00           O  
ATOM    682  CB  TYR A  45       7.720  -3.549  -0.801  1.00  0.00           C  
ATOM    683  CG  TYR A  45       7.204  -4.935  -1.143  1.00  0.00           C  
ATOM    684  CD1 TYR A  45       5.910  -5.319  -0.762  1.00  0.00           C  
ATOM    685  CD2 TYR A  45       8.029  -5.849  -1.814  1.00  0.00           C  
ATOM    686  CE1 TYR A  45       5.444  -6.610  -1.048  1.00  0.00           C  
ATOM    687  CE2 TYR A  45       7.562  -7.138  -2.105  1.00  0.00           C  
ATOM    688  CZ  TYR A  45       6.271  -7.518  -1.721  1.00  0.00           C  
ATOM    689  OH  TYR A  45       5.835  -8.803  -1.962  1.00  0.00           O  
ATOM    690  H   TYR A  45       9.356  -2.024   1.055  1.00  0.00           H  
ATOM    691  HA  TYR A  45       6.757  -3.414   1.123  1.00  0.00           H  
ATOM    692  HB2 TYR A  45       7.058  -2.803  -1.216  1.00  0.00           H  
ATOM    693  HB3 TYR A  45       8.712  -3.420  -1.207  1.00  0.00           H  
ATOM    694  HD1 TYR A  45       5.270  -4.619  -0.245  1.00  0.00           H  
ATOM    695  HD2 TYR A  45       9.026  -5.558  -2.112  1.00  0.00           H  
ATOM    696  HE1 TYR A  45       4.447  -6.902  -0.753  1.00  0.00           H  
ATOM    697  HE2 TYR A  45       8.199  -7.839  -2.625  1.00  0.00           H  
ATOM    698  HH  TYR A  45       6.605  -9.353  -2.123  1.00  0.00           H  
ATOM    699  N   ASP A  46       7.943  -5.439   2.013  1.00  0.00           N  
ATOM    700  CA  ASP A  46       8.612  -6.587   2.612  1.00  0.00           C  
ATOM    701  C   ASP A  46       8.088  -7.831   1.911  1.00  0.00           C  
ATOM    702  O   ASP A  46       6.915  -8.187   2.038  1.00  0.00           O  
ATOM    703  CB  ASP A  46       8.314  -6.680   4.110  1.00  0.00           C  
ATOM    704  CG  ASP A  46       9.131  -7.827   4.718  1.00  0.00           C  
ATOM    705  OD1 ASP A  46       9.302  -8.842   4.059  1.00  0.00           O  
ATOM    706  OD2 ASP A  46       9.584  -7.663   5.839  1.00  0.00           O  
ATOM    707  H   ASP A  46       6.973  -5.354   2.123  1.00  0.00           H  
ATOM    708  HA  ASP A  46       9.678  -6.495   2.458  1.00  0.00           H  
ATOM    709  HB2 ASP A  46       8.582  -5.750   4.590  1.00  0.00           H  
ATOM    710  HB3 ASP A  46       7.262  -6.872   4.258  1.00  0.00           H  
ATOM    711  N   ASP A  47       8.950  -8.428   1.120  1.00  0.00           N  
ATOM    712  CA  ASP A  47       8.560  -9.589   0.336  1.00  0.00           C  
ATOM    713  C   ASP A  47       8.204 -10.787   1.219  1.00  0.00           C  
ATOM    714  O   ASP A  47       7.468 -11.670   0.776  1.00  0.00           O  
ATOM    715  CB  ASP A  47       9.671  -9.949  -0.655  1.00  0.00           C  
ATOM    716  CG  ASP A  47       9.111 -10.806  -1.803  1.00  0.00           C  
ATOM    717  OD1 ASP A  47       8.113 -10.442  -2.415  1.00  0.00           O  
ATOM    718  OD2 ASP A  47       9.709 -11.838  -2.051  1.00  0.00           O  
ATOM    719  H   ASP A  47       9.851  -8.061   1.005  1.00  0.00           H  
ATOM    720  HA  ASP A  47       7.674  -9.354  -0.238  1.00  0.00           H  
ATOM    721  HB2 ASP A  47      10.093  -9.041  -1.060  1.00  0.00           H  
ATOM    722  HB3 ASP A  47      10.442 -10.503  -0.141  1.00  0.00           H  
ATOM    723  N   ALA A  48       8.731 -10.889   2.432  1.00  0.00           N  
ATOM    724  CA  ALA A  48       8.439 -12.036   3.291  1.00  0.00           C  
ATOM    725  C   ALA A  48       6.992 -12.045   3.781  1.00  0.00           C  
ATOM    726  O   ALA A  48       6.421 -13.116   3.994  1.00  0.00           O  
ATOM    727  CB  ALA A  48       9.391 -12.063   4.478  1.00  0.00           C  
ATOM    728  H   ALA A  48       9.382 -10.244   2.780  1.00  0.00           H  
ATOM    729  HA  ALA A  48       8.571 -12.930   2.704  1.00  0.00           H  
ATOM    730  HB1 ALA A  48      10.411 -12.054   4.122  1.00  0.00           H  
ATOM    731  HB2 ALA A  48       9.218 -11.194   5.096  1.00  0.00           H  
ATOM    732  HB3 ALA A  48       9.219 -12.957   5.058  1.00  0.00           H  
ATOM    733  N   THR A  49       6.425 -10.875   4.001  1.00  0.00           N  
ATOM    734  CA  THR A  49       5.054 -10.785   4.506  1.00  0.00           C  
ATOM    735  C   THR A  49       4.108 -10.201   3.454  1.00  0.00           C  
ATOM    736  O   THR A  49       2.926 -10.010   3.739  1.00  0.00           O  
ATOM    737  CB  THR A  49       4.980  -9.918   5.780  1.00  0.00           C  
ATOM    738  OG1 THR A  49       5.446  -8.611   5.468  1.00  0.00           O  
ATOM    739  CG2 THR A  49       5.841 -10.516   6.899  1.00  0.00           C  
ATOM    740  H   THR A  49       6.969 -10.064   3.915  1.00  0.00           H  
ATOM    741  HA  THR A  49       4.687 -11.775   4.729  1.00  0.00           H  
ATOM    742  HB  THR A  49       3.954  -9.860   6.112  1.00  0.00           H  
ATOM    743  HG1 THR A  49       6.405  -8.624   5.492  1.00  0.00           H  
ATOM    744 HG21 THR A  49       5.930  -9.803   7.704  1.00  0.00           H  
ATOM    745 HG22 THR A  49       6.822 -10.749   6.513  1.00  0.00           H  
ATOM    746 HG23 THR A  49       5.375 -11.419   7.267  1.00  0.00           H  
ATOM    747  N   LYS A  50       4.609  -9.920   2.267  1.00  0.00           N  
ATOM    748  CA  LYS A  50       3.804  -9.351   1.186  1.00  0.00           C  
ATOM    749  C   LYS A  50       3.029  -8.122   1.647  1.00  0.00           C  
ATOM    750  O   LYS A  50       1.841  -7.961   1.362  1.00  0.00           O  
ATOM    751  CB  LYS A  50       2.817 -10.381   0.622  1.00  0.00           C  
ATOM    752  CG  LYS A  50       3.466 -11.754   0.444  1.00  0.00           C  
ATOM    753  CD  LYS A  50       4.459 -11.708  -0.716  1.00  0.00           C  
ATOM    754  CE  LYS A  50       5.204 -13.040  -0.789  1.00  0.00           C  
ATOM    755  NZ  LYS A  50       6.225 -12.961  -1.868  1.00  0.00           N  
ATOM    756  H   LYS A  50       5.566 -10.033   2.088  1.00  0.00           H  
ATOM    757  HA  LYS A  50       4.507  -9.064   0.422  1.00  0.00           H  
ATOM    758  HB2 LYS A  50       1.981 -10.476   1.298  1.00  0.00           H  
ATOM    759  HB3 LYS A  50       2.457 -10.035  -0.336  1.00  0.00           H  
ATOM    760  HG2 LYS A  50       3.983 -12.029   1.351  1.00  0.00           H  
ATOM    761  HG3 LYS A  50       2.702 -12.487   0.230  1.00  0.00           H  
ATOM    762  HD2 LYS A  50       3.927 -11.539  -1.640  1.00  0.00           H  
ATOM    763  HD3 LYS A  50       5.170 -10.912  -0.557  1.00  0.00           H  
ATOM    764  HE2 LYS A  50       5.689 -13.236   0.156  1.00  0.00           H  
ATOM    765  HE3 LYS A  50       4.506 -13.834  -1.009  1.00  0.00           H  
ATOM    766  HZ1 LYS A  50       6.311 -13.886  -2.333  1.00  0.00           H  
ATOM    767  HZ2 LYS A  50       7.143 -12.691  -1.458  1.00  0.00           H  
ATOM    768  HZ3 LYS A  50       5.936 -12.249  -2.569  1.00  0.00           H  
ATOM    769  N   THR A  51       3.723  -7.296   2.406  1.00  0.00           N  
ATOM    770  CA  THR A  51       3.124  -6.101   2.993  1.00  0.00           C  
ATOM    771  C   THR A  51       3.865  -4.839   2.568  1.00  0.00           C  
ATOM    772  O   THR A  51       5.085  -4.733   2.705  1.00  0.00           O  
ATOM    773  CB  THR A  51       3.140  -6.184   4.533  1.00  0.00           C  
ATOM    774  OG1 THR A  51       2.408  -7.331   4.940  1.00  0.00           O  
ATOM    775  CG2 THR A  51       2.520  -4.931   5.157  1.00  0.00           C  
ATOM    776  H   THR A  51       4.669  -7.498   2.564  1.00  0.00           H  
ATOM    777  HA  THR A  51       2.101  -6.066   2.654  1.00  0.00           H  
ATOM    778  HB  THR A  51       4.162  -6.278   4.872  1.00  0.00           H  
ATOM    779  HG1 THR A  51       1.920  -7.657   4.180  1.00  0.00           H  
ATOM    780 HG21 THR A  51       1.570  -4.726   4.686  1.00  0.00           H  
ATOM    781 HG22 THR A  51       3.182  -4.090   5.012  1.00  0.00           H  
ATOM    782 HG23 THR A  51       2.370  -5.092   6.215  1.00  0.00           H  
ATOM    783  N   PHE A  52       3.071  -3.871   2.152  1.00  0.00           N  
ATOM    784  CA  PHE A  52       3.553  -2.539   1.816  1.00  0.00           C  
ATOM    785  C   PHE A  52       3.169  -1.644   2.987  1.00  0.00           C  
ATOM    786  O   PHE A  52       2.120  -1.844   3.601  1.00  0.00           O  
ATOM    787  CB  PHE A  52       2.818  -1.971   0.597  1.00  0.00           C  
ATOM    788  CG  PHE A  52       3.157  -2.673  -0.691  1.00  0.00           C  
ATOM    789  CD1 PHE A  52       2.487  -3.850  -1.046  1.00  0.00           C  
ATOM    790  CD2 PHE A  52       4.099  -2.107  -1.558  1.00  0.00           C  
ATOM    791  CE1 PHE A  52       2.760  -4.463  -2.275  1.00  0.00           C  
ATOM    792  CE2 PHE A  52       4.383  -2.727  -2.779  1.00  0.00           C  
ATOM    793  CZ  PHE A  52       3.713  -3.905  -3.138  1.00  0.00           C  
ATOM    794  H   PHE A  52       2.106  -4.039   2.175  1.00  0.00           H  
ATOM    795  HA  PHE A  52       4.620  -2.526   1.652  1.00  0.00           H  
ATOM    796  HB2 PHE A  52       1.755  -2.059   0.764  1.00  0.00           H  
ATOM    797  HB3 PHE A  52       3.065  -0.923   0.501  1.00  0.00           H  
ATOM    798  HD1 PHE A  52       1.761  -4.283  -0.374  1.00  0.00           H  
ATOM    799  HD2 PHE A  52       4.614  -1.200  -1.279  1.00  0.00           H  
ATOM    800  HE1 PHE A  52       2.246  -5.372  -2.552  1.00  0.00           H  
ATOM    801  HE2 PHE A  52       5.116  -2.298  -3.446  1.00  0.00           H  
ATOM    802  HZ  PHE A  52       3.983  -4.421  -4.047  1.00  0.00           H  
ATOM    803  N   THR A  53       3.999  -0.664   3.278  1.00  0.00           N  
ATOM    804  CA  THR A  53       3.712   0.280   4.355  1.00  0.00           C  
ATOM    805  C   THR A  53       3.929   1.668   3.771  1.00  0.00           C  
ATOM    806  O   THR A  53       4.927   1.908   3.092  1.00  0.00           O  
ATOM    807  CB  THR A  53       4.659   0.064   5.555  1.00  0.00           C  
ATOM    808  OG1 THR A  53       4.589  -1.296   5.960  1.00  0.00           O  
ATOM    809  CG2 THR A  53       4.273   0.974   6.726  1.00  0.00           C  
ATOM    810  H   THR A  53       4.865  -0.600   2.825  1.00  0.00           H  
ATOM    811  HA  THR A  53       2.684   0.150   4.665  1.00  0.00           H  
ATOM    812  HB  THR A  53       5.670   0.291   5.252  1.00  0.00           H  
ATOM    813  HG1 THR A  53       4.500  -1.318   6.915  1.00  0.00           H  
ATOM    814 HG21 THR A  53       3.204   0.930   6.878  1.00  0.00           H  
ATOM    815 HG22 THR A  53       4.563   1.990   6.503  1.00  0.00           H  
ATOM    816 HG23 THR A  53       4.778   0.643   7.621  1.00  0.00           H  
ATOM    817  N   VAL A  54       3.031   2.580   4.099  1.00  0.00           N  
ATOM    818  CA  VAL A  54       3.183   3.970   3.686  1.00  0.00           C  
ATOM    819  C   VAL A  54       3.070   4.867   4.920  1.00  0.00           C  
ATOM    820  O   VAL A  54       2.156   4.719   5.734  1.00  0.00           O  
ATOM    821  CB  VAL A  54       2.128   4.388   2.641  1.00  0.00           C  
ATOM    822  CG1 VAL A  54       0.707   4.238   3.183  1.00  0.00           C  
ATOM    823  CG2 VAL A  54       2.384   5.846   2.245  1.00  0.00           C  
ATOM    824  H   VAL A  54       2.260   2.325   4.647  1.00  0.00           H  
ATOM    825  HA  VAL A  54       4.165   4.067   3.242  1.00  0.00           H  
ATOM    826  HB  VAL A  54       2.236   3.764   1.766  1.00  0.00           H  
ATOM    827 HG11 VAL A  54       0.000   4.545   2.426  1.00  0.00           H  
ATOM    828 HG12 VAL A  54       0.586   4.857   4.059  1.00  0.00           H  
ATOM    829 HG13 VAL A  54       0.530   3.205   3.441  1.00  0.00           H  
ATOM    830 HG21 VAL A  54       3.428   5.976   2.001  1.00  0.00           H  
ATOM    831 HG22 VAL A  54       2.123   6.494   3.069  1.00  0.00           H  
ATOM    832 HG23 VAL A  54       1.779   6.097   1.386  1.00  0.00           H  
ATOM    833  N   THR A  55       4.041   5.746   5.047  1.00  0.00           N  
ATOM    834  CA  THR A  55       4.031   6.657   6.192  1.00  0.00           C  
ATOM    835  C   THR A  55       4.151   8.123   5.781  1.00  0.00           C  
ATOM    836  O   THR A  55       4.950   8.476   4.907  1.00  0.00           O  
ATOM    837  CB  THR A  55       5.220   6.397   7.149  1.00  0.00           C  
ATOM    838  OG1 THR A  55       5.086   7.302   8.245  1.00  0.00           O  
ATOM    839  CG2 THR A  55       6.589   6.579   6.506  1.00  0.00           C  
ATOM    840  H   THR A  55       4.766   5.746   4.388  1.00  0.00           H  
ATOM    841  HA  THR A  55       3.142   6.493   6.786  1.00  0.00           H  
ATOM    842  HB  THR A  55       5.140   5.388   7.527  1.00  0.00           H  
ATOM    843  HG1 THR A  55       4.759   8.137   7.901  1.00  0.00           H  
ATOM    844 HG21 THR A  55       7.335   6.054   7.084  1.00  0.00           H  
ATOM    845 HG22 THR A  55       6.833   7.631   6.473  1.00  0.00           H  
ATOM    846 HG23 THR A  55       6.560   6.177   5.505  1.00  0.00           H  
ATOM    847  N   GLU A  56       3.308   8.947   6.369  1.00  0.00           N  
ATOM    848  CA  GLU A  56       3.360  10.380   6.098  1.00  0.00           C  
ATOM    849  C   GLU A  56       4.218  11.034   7.178  1.00  0.00           C  
ATOM    850  O   GLU A  56       4.671  12.145   6.955  1.00  0.00           O  
ATOM    851  CB  GLU A  56       1.961  10.996   6.136  1.00  0.00           C  
ATOM    852  CG  GLU A  56       1.216  10.623   4.855  1.00  0.00           C  
ATOM    853  CD  GLU A  56      -0.114  11.369   4.777  1.00  0.00           C  
ATOM    854  OE1 GLU A  56      -0.918  11.230   5.686  1.00  0.00           O  
ATOM    855  OE2 GLU A  56      -0.301  12.054   3.787  1.00  0.00           O  
ATOM    856  OXT GLU A  56       4.447  10.395   8.192  1.00  0.00           O  
ATOM    857  H   GLU A  56       2.663   8.599   7.019  1.00  0.00           H  
ATOM    858  HA  GLU A  56       3.807  10.555   5.130  1.00  0.00           H  
ATOM    859  HB2 GLU A  56       1.423  10.621   6.993  1.00  0.00           H  
ATOM    860  HB3 GLU A  56       2.043  12.070   6.203  1.00  0.00           H  
ATOM    861  HG2 GLU A  56       1.821  10.884   4.000  1.00  0.00           H  
ATOM    862  HG3 GLU A  56       1.029   9.559   4.849  1.00  0.00           H  
TER     863      GLU A  56                                                      
MASTER      126    0    0    1    4    0    0    6  437    1    0    5          
END