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***  vasavi  ***

elNémo ID: 19080107110520106

Job options:

ID        	=	 19080107110520106
JOBID     	=	 vasavi
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 5
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:

HEADER vasavi

HEADER    VIRAL PROTEIN                           08-AUG-02   1MEQ              
TITLE     HIV GP120 C5                                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EXTERIOR MEMBRANE GLYCOPROTEIN (GP120);                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES (484-506);                                        
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HUMAN                  
SOURCE   5 IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1).                               
KEYWDS    HIV, AIDS, GP120, GP41, VIRAL PROTEIN                                 
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    M.CAFFREY,A.JACOBS,L.GUILHAUDIS                                       
REVDAT   2   24-FEB-09 1MEQ    1       VERSN                                    
REVDAT   1   11-DEC-02 1MEQ    0                                                
JRNL        AUTH   L.GUILHAUDIS,A.JACOBS,M.CAFFREY                              
JRNL        TITL   SOLUTION STRUCTURE OF THE HIV GP120 C5 DOMAIN                
JRNL        REF    EUR.J.BIOCHEM.                V. 269  4860 2002              
JRNL        REFN                   ISSN 0014-2956                               
JRNL        PMID   12354117                                                     
JRNL        DOI    10.1046/J.1432-1033.2002.03187.X                             
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER, A., ADAMS, P., CLORE, G., DELANO, W.,       
REMARK   3                 GROS, P., GROSSE-KUNSTLEVE, R., JIANG, J.-S.,        
REMARK   3                 KUSZEWSKI, J., NILGES, M., PANNU, N., READ, R.,      
REMARK   3                 RICE, L., SIMONSON, T. & WARREN, G.                  
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: 190 DISTANCE RESTRAINTS, 47 DIHEDRAL      
REMARK   3  RESTRAINTS                                                          
REMARK   4                                                                      
REMARK   4 1MEQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-AUG-02.                  
REMARK 100 THE RCSB ID CODE IS RCSB016858.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 300                                
REMARK 210  PH                             : 6.0                                
REMARK 210  IONIC STRENGTH                 : 70 MM                              
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 1MM HIV GP120 C5 AT NATURAL        
REMARK 210                                   ABUNDANCE                          
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY                           
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CNS 1.0                            
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    ARG A  15   CG    ARG A  15   CD     -0.162                       
REMARK 500    LYS A  22   CA    LYS A  22   CB     -0.158                       
REMARK 500    ARG A  23   CB    ARG A  23   CG     -0.238                       
REMARK 500    ARG A  23   CD    ARG A  23   NE     -0.145                       
REMARK 500    ARG A  23   CZ    ARG A  23   NH2     0.119                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG A  15   CD  -  NE  -  CZ  ANGL. DEV. = -14.0 DEGREES          
REMARK 500    ARG A  15   NE  -  CZ  -  NH1 ANGL. DEV. = -11.3 DEGREES          
REMARK 500    ARG A  15   NE  -  CZ  -  NH2 ANGL. DEV. =   6.6 DEGREES          
REMARK 500    ARG A  16   NE  -  CZ  -  NH1 ANGL. DEV. =  -4.6 DEGREES          
REMARK 500    ARG A  20   NE  -  CZ  -  NH1 ANGL. DEV. =  -4.5 DEGREES          
REMARK 500    ARG A  23   CG  -  CD  -  NE  ANGL. DEV. = -20.8 DEGREES          
REMARK 500    ARG A  23   CD  -  NE  -  CZ  ANGL. DEV. = -19.2 DEGREES          
REMARK 500    ARG A  23   NE  -  CZ  -  NH1 ANGL. DEV. = -12.1 DEGREES          
REMARK 500    ARG A  23   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.9 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    LEU A   6       -3.89    -51.60                                   
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    ARG A  16         0.08    SIDE_CHAIN                              
REMARK 500    ARG A  20         0.08    SIDE_CHAIN                              
REMARK 500    ARG A  23         0.36    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1MEQ A    1    23  UNP    P19549   ENV_HV1S3      484    506             
SEQRES   1 A   23  VAL LYS ILE GLU PRO LEU GLY VAL ALA PRO THR LYS ALA          
SEQRES   2 A   23  LYS ARG ARG VAL VAL GLN ARG GLU LYS ARG                      
HELIX    1   1 PRO A   10  LYS A   22  1                                  13    
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   VAL A   1      -0.769   2.906  -6.556  1.00  1.00           N  
ATOM      2  CA  VAL A   1      -0.263   2.213  -5.348  1.00  0.72           C  
ATOM      3  C   VAL A   1      -0.024   3.124  -4.226  1.00  0.64           C  
ATOM      4  O   VAL A   1       1.117   3.462  -3.880  1.00  0.91           O  
ATOM      5  CB  VAL A   1       1.000   1.485  -5.630  1.00  0.93           C  
ATOM      6  CG1 VAL A   1       0.569   0.129  -6.132  1.00  1.68           C  
ATOM      7  CG2 VAL A   1       1.862   2.334  -6.604  1.00  1.54           C  
ATOM      8  H1  VAL A   1      -0.150   3.725  -6.736  1.00  1.58           H  
ATOM      9  H2  VAL A   1      -1.742   3.201  -6.375  1.00  1.38           H  
ATOM     10  H3  VAL A   1      -0.715   2.223  -7.341  1.00  1.25           H  
ATOM     11  HA  VAL A   1      -1.010   1.496  -5.044  1.00  1.02           H  
ATOM     12  HB  VAL A   1       1.557   1.350  -4.711  1.00  0.88           H  
ATOM     13 HG11 VAL A   1       1.114  -0.620  -5.611  1.00  2.08           H  
ATOM     14 HG12 VAL A   1       0.755   0.074  -7.192  1.00  2.19           H  
ATOM     15 HG13 VAL A   1      -0.463  -0.024  -5.970  1.00  2.13           H  
ATOM     16 HG21 VAL A   1       2.701   1.782  -6.941  1.00  1.97           H  
ATOM     17 HG22 VAL A   1       2.216   3.199  -6.087  1.00  1.92           H  
ATOM     18 HG23 VAL A   1       1.266   2.618  -7.447  1.00  2.13           H  
ATOM     19  N   LYS A   2      -1.102   3.525  -3.647  1.00  0.72           N  
ATOM     20  CA  LYS A   2      -1.014   4.392  -2.576  1.00  0.94           C  
ATOM     21  C   LYS A   2      -1.578   3.870  -1.374  1.00  0.76           C  
ATOM     22  O   LYS A   2      -2.721   3.404  -1.317  1.00  0.96           O  
ATOM     23  CB  LYS A   2      -1.773   5.549  -2.870  1.00  1.47           C  
ATOM     24  CG  LYS A   2      -1.266   6.362  -3.951  1.00  2.28           C  
ATOM     25  CD  LYS A   2      -2.001   7.638  -3.805  1.00  3.03           C  
ATOM     26  CE  LYS A   2      -2.791   7.883  -5.030  1.00  3.68           C  
ATOM     27  NZ  LYS A   2      -4.132   7.333  -4.846  1.00  4.30           N  
ATOM     28  H   LYS A   2      -1.973   3.226  -3.966  1.00  0.88           H  
ATOM     29  HA  LYS A   2       0.018   4.691  -2.418  1.00  1.06           H  
ATOM     30  HB2 LYS A   2      -2.776   5.253  -3.144  1.00  1.70           H  
ATOM     31  HB3 LYS A   2      -1.832   6.182  -1.981  1.00  1.94           H  
ATOM     32  HG2 LYS A   2      -0.196   6.487  -3.868  1.00  2.75           H  
ATOM     33  HG3 LYS A   2      -1.527   5.881  -4.897  1.00  2.63           H  
ATOM     34  HD2 LYS A   2      -2.689   7.561  -2.980  1.00  3.26           H  
ATOM     35  HD3 LYS A   2      -1.309   8.450  -3.633  1.00  3.46           H  
ATOM     36  HE2 LYS A   2      -2.857   8.945  -5.207  1.00  3.99           H  
ATOM     37  HE3 LYS A   2      -2.334   7.392  -5.861  1.00  3.96           H  
ATOM     38  HZ1 LYS A   2      -4.659   7.373  -5.721  1.00  4.65           H  
ATOM     39  HZ2 LYS A   2      -4.648   7.874  -4.107  1.00  4.56           H  
ATOM     40  HZ3 LYS A   2      -4.064   6.340  -4.517  1.00  4.58           H  
ATOM     41  N   ILE A   3      -0.806   4.036  -0.386  1.00  0.62           N  
ATOM     42  CA  ILE A   3      -1.203   3.667   0.869  1.00  0.50           C  
ATOM     43  C   ILE A   3      -1.247   4.871   1.721  1.00  0.67           C  
ATOM     44  O   ILE A   3      -0.529   5.855   1.504  1.00  1.03           O  
ATOM     45  CB  ILE A   3      -0.278   2.672   1.427  1.00  0.53           C  
ATOM     46  CG1 ILE A   3      -0.858   2.144   2.700  1.00  0.60           C  
ATOM     47  CG2 ILE A   3       1.088   3.297   1.596  1.00  0.81           C  
ATOM     48  CD1 ILE A   3      -0.083   0.992   3.227  1.00  0.80           C  
ATOM     49  H   ILE A   3       0.062   4.480  -0.498  1.00  0.78           H  
ATOM     50  HA  ILE A   3      -2.191   3.237   0.819  1.00  0.57           H  
ATOM     51  HB  ILE A   3      -0.204   1.884   0.740  1.00  0.63           H  
ATOM     52 HG12 ILE A   3      -0.869   2.930   3.439  1.00  0.64           H  
ATOM     53 HG13 ILE A   3      -1.873   1.812   2.513  1.00  0.63           H  
ATOM     54 HG21 ILE A   3       1.407   3.727   0.657  1.00  1.26           H  
ATOM     55 HG22 ILE A   3       1.797   2.543   1.901  1.00  1.20           H  
ATOM     56 HG23 ILE A   3       1.032   4.068   2.345  1.00  1.53           H  
ATOM     57 HD11 ILE A   3      -0.755   0.194   3.483  1.00  1.33           H  
ATOM     58 HD12 ILE A   3       0.467   1.308   4.099  1.00  1.36           H  
ATOM     59 HD13 ILE A   3       0.611   0.654   2.467  1.00  1.23           H  
ATOM     60  N   GLU A   4      -2.127   4.800   2.647  1.00  0.60           N  
ATOM     61  CA  GLU A   4      -2.338   5.872   3.512  1.00  0.81           C  
ATOM     62  C   GLU A   4      -2.155   5.444   4.948  1.00  0.51           C  
ATOM     63  O   GLU A   4      -2.992   4.785   5.569  1.00  0.41           O  
ATOM     64  CB  GLU A   4      -3.634   6.447   3.087  1.00  1.22           C  
ATOM     65  CG  GLU A   4      -4.657   6.763   4.083  1.00  1.72           C  
ATOM     66  CD  GLU A   4      -5.717   7.516   3.343  1.00  2.45           C  
ATOM     67  OE1 GLU A   4      -6.624   6.861   2.789  1.00  2.93           O  
ATOM     68  OE2 GLU A   4      -5.568   8.745   3.197  1.00  3.02           O  
ATOM     69  H   GLU A   4      -2.678   3.995   2.733  1.00  0.61           H  
ATOM     70  HA  GLU A   4      -1.606   6.617   3.291  1.00  1.10           H  
ATOM     71  HB2 GLU A   4      -3.411   7.365   2.576  1.00  1.79           H  
ATOM     72  HB3 GLU A   4      -4.079   5.769   2.375  1.00  1.71           H  
ATOM     73  HG2 GLU A   4      -5.056   5.846   4.468  1.00  2.07           H  
ATOM     74  HG3 GLU A   4      -4.251   7.380   4.868  1.00  2.04           H  
ATOM     75  N   PRO A   5      -0.971   5.834   5.466  1.00  0.80           N  
ATOM     76  CA  PRO A   5      -0.502   5.553   6.821  1.00  0.97           C  
ATOM     77  C   PRO A   5      -1.362   6.201   7.873  1.00  0.80           C  
ATOM     78  O   PRO A   5      -1.231   5.920   9.065  1.00  0.98           O  
ATOM     79  CB  PRO A   5       0.874   6.209   6.849  1.00  1.47           C  
ATOM     80  CG  PRO A   5       1.272   6.337   5.431  1.00  1.58           C  
ATOM     81  CD  PRO A   5       0.027   6.621   4.722  1.00  1.23           C  
ATOM     82  HA  PRO A   5      -0.416   4.494   7.010  1.00  1.03           H  
ATOM     83  HB2 PRO A   5       0.793   7.185   7.314  1.00  1.56           H  
ATOM     84  HB3 PRO A   5       1.562   5.596   7.400  1.00  1.72           H  
ATOM     85  HG2 PRO A   5       1.960   7.152   5.299  1.00  1.92           H  
ATOM     86  HG3 PRO A   5       1.695   5.410   5.074  1.00  1.63           H  
ATOM     87  HD2 PRO A   5      -0.219   7.675   4.755  1.00  1.41           H  
ATOM     88  HD3 PRO A   5       0.092   6.280   3.704  1.00  1.23           H  
ATOM     89  N   LEU A   6      -2.229   7.088   7.434  1.00  0.67           N  
ATOM     90  CA  LEU A   6      -3.112   7.806   8.318  1.00  0.67           C  
ATOM     91  C   LEU A   6      -3.901   6.935   9.263  1.00  0.46           C  
ATOM     92  O   LEU A   6      -4.640   7.443  10.104  1.00  0.64           O  
ATOM     93  CB  LEU A   6      -4.050   8.638   7.496  1.00  1.02           C  
ATOM     94  CG  LEU A   6      -3.354   9.745   6.749  1.00  1.50           C  
ATOM     95  CD1 LEU A   6      -4.337  10.467   5.847  1.00  1.91           C  
ATOM     96  CD2 LEU A   6      -2.690  10.674   7.756  1.00  1.79           C  
ATOM     97  H   LEU A   6      -2.271   7.283   6.482  1.00  0.76           H  
ATOM     98  HA  LEU A   6      -2.494   8.473   8.898  1.00  0.91           H  
ATOM     99  HB2 LEU A   6      -4.547   7.992   6.778  1.00  1.01           H  
ATOM    100  HB3 LEU A   6      -4.795   9.074   8.144  1.00  1.14           H  
ATOM    101  HG  LEU A   6      -2.580   9.319   6.127  1.00  1.49           H  
ATOM    102 HD11 LEU A   6      -5.337  10.142   6.083  1.00  2.34           H  
ATOM    103 HD12 LEU A   6      -4.107  10.225   4.824  1.00  2.38           H  
ATOM    104 HD13 LEU A   6      -4.250  11.529   6.003  1.00  2.05           H  
ATOM    105 HD21 LEU A   6      -1.781  10.210   8.113  1.00  2.23           H  
ATOM    106 HD22 LEU A   6      -3.360  10.835   8.585  1.00  2.18           H  
ATOM    107 HD23 LEU A   6      -2.455  11.617   7.287  1.00  1.94           H  
ATOM    108  N   GLY A   7      -3.767   5.628   9.134  1.00  0.48           N  
ATOM    109  CA  GLY A   7      -4.484   4.735   9.991  1.00  0.81           C  
ATOM    110  C   GLY A   7      -5.358   3.785   9.206  1.00  0.85           C  
ATOM    111  O   GLY A   7      -6.236   3.139   9.771  1.00  1.15           O  
ATOM    112  H   GLY A   7      -3.183   5.261   8.453  1.00  0.51           H  
ATOM    113  HA2 GLY A   7      -3.776   4.170  10.576  1.00  1.04           H  
ATOM    114  HA3 GLY A   7      -5.106   5.317  10.651  1.00  0.98           H  
ATOM    115  N   VAL A   8      -5.105   3.686   7.904  1.00  0.65           N  
ATOM    116  CA  VAL A   8      -5.845   2.803   7.049  1.00  0.78           C  
ATOM    117  C   VAL A   8      -4.907   1.777   6.493  1.00  0.57           C  
ATOM    118  O   VAL A   8      -4.082   2.062   5.625  1.00  0.51           O  
ATOM    119  CB  VAL A   8      -6.515   3.521   5.866  1.00  0.99           C  
ATOM    120  CG1 VAL A   8      -7.853   2.883   5.536  1.00  1.45           C  
ATOM    121  CG2 VAL A   8      -6.651   5.010   6.140  1.00  1.49           C  
ATOM    122  H   VAL A   8      -4.387   4.197   7.507  1.00  0.50           H  
ATOM    123  HA  VAL A   8      -6.607   2.316   7.636  1.00  1.00           H  
ATOM    124  HB  VAL A   8      -5.883   3.393   5.009  1.00  1.34           H  
ATOM    125 HG11 VAL A   8      -7.687   1.858   5.269  1.00  1.96           H  
ATOM    126 HG12 VAL A   8      -8.305   3.411   4.714  1.00  2.01           H  
ATOM    127 HG13 VAL A   8      -8.500   2.936   6.403  1.00  1.78           H  
ATOM    128 HG21 VAL A   8      -7.447   5.418   5.536  1.00  1.84           H  
ATOM    129 HG22 VAL A   8      -5.727   5.484   5.896  1.00  2.03           H  
ATOM    130 HG23 VAL A   8      -6.861   5.160   7.180  1.00  1.96           H  
ATOM    131  N   ALA A   9      -5.042   0.591   6.999  1.00  0.64           N  
ATOM    132  CA  ALA A   9      -4.220  -0.502   6.559  1.00  0.56           C  
ATOM    133  C   ALA A   9      -5.045  -1.445   5.695  1.00  0.45           C  
ATOM    134  O   ALA A   9      -5.779  -2.295   6.201  1.00  0.57           O  
ATOM    135  CB  ALA A   9      -3.615  -1.224   7.737  1.00  0.80           C  
ATOM    136  H   ALA A   9      -5.717   0.455   7.672  1.00  0.82           H  
ATOM    137  HA  ALA A   9      -3.412  -0.097   5.970  1.00  0.53           H  
ATOM    138  HB1 ALA A   9      -3.464  -0.525   8.545  1.00  1.30           H  
ATOM    139  HB2 ALA A   9      -2.665  -1.647   7.444  1.00  1.25           H  
ATOM    140  HB3 ALA A   9      -4.278  -2.012   8.059  1.00  1.39           H  
ATOM    141  N   PRO A  10      -4.934  -1.287   4.368  1.00  0.34           N  
ATOM    142  CA  PRO A  10      -5.655  -2.098   3.412  1.00  0.36           C  
ATOM    143  C   PRO A  10      -4.926  -3.389   3.138  1.00  0.30           C  
ATOM    144  O   PRO A  10      -3.915  -3.405   2.484  1.00  0.42           O  
ATOM    145  CB  PRO A  10      -5.664  -1.218   2.172  1.00  0.56           C  
ATOM    146  CG  PRO A  10      -4.393  -0.445   2.252  1.00  0.60           C  
ATOM    147  CD  PRO A  10      -4.096  -0.283   3.711  1.00  0.45           C  
ATOM    148  HA  PRO A  10      -6.666  -2.304   3.731  1.00  0.45           H  
ATOM    149  HB2 PRO A  10      -5.698  -1.841   1.293  1.00  0.64           H  
ATOM    150  HB3 PRO A  10      -6.524  -0.566   2.190  1.00  0.69           H  
ATOM    151  HG2 PRO A  10      -3.596  -0.991   1.771  1.00  0.67           H  
ATOM    152  HG3 PRO A  10      -4.519   0.522   1.790  1.00  0.77           H  
ATOM    153  HD2 PRO A  10      -3.054  -0.463   3.919  1.00  0.52           H  
ATOM    154  HD3 PRO A  10      -4.379   0.692   4.043  1.00  0.51           H  
ATOM    155  N   THR A  11      -5.444  -4.466   3.654  1.00  0.31           N  
ATOM    156  CA  THR A  11      -4.806  -5.769   3.486  1.00  0.41           C  
ATOM    157  C   THR A  11      -4.506  -6.094   2.028  1.00  0.40           C  
ATOM    158  O   THR A  11      -3.451  -6.629   1.701  1.00  0.50           O  
ATOM    159  CB  THR A  11      -5.682  -6.869   4.092  1.00  0.55           C  
ATOM    160  OG1 THR A  11      -5.129  -8.146   3.843  1.00  0.68           O  
ATOM    161  CG2 THR A  11      -7.099  -6.874   3.564  1.00  0.60           C  
ATOM    162  H   THR A  11      -6.265  -4.387   4.177  1.00  0.39           H  
ATOM    163  HA  THR A  11      -3.874  -5.743   4.020  1.00  0.48           H  
ATOM    164  HB  THR A  11      -5.730  -6.722   5.165  1.00  0.70           H  
ATOM    165  HG1 THR A  11      -4.650  -8.445   4.624  1.00  1.16           H  
ATOM    166 HG21 THR A  11      -7.777  -7.173   4.352  1.00  1.16           H  
ATOM    167 HG22 THR A  11      -7.175  -7.570   2.742  1.00  1.07           H  
ATOM    168 HG23 THR A  11      -7.359  -5.883   3.225  1.00  1.34           H  
ATOM    169  N   LYS A  12      -5.436  -5.784   1.165  1.00  0.38           N  
ATOM    170  CA  LYS A  12      -5.276  -6.066  -0.261  1.00  0.49           C  
ATOM    171  C   LYS A  12      -4.363  -5.081  -0.943  1.00  0.47           C  
ATOM    172  O   LYS A  12      -3.476  -5.453  -1.712  1.00  0.52           O  
ATOM    173  CB  LYS A  12      -6.609  -5.986  -0.965  1.00  0.62           C  
ATOM    174  CG  LYS A  12      -7.802  -5.983  -0.052  1.00  1.32           C  
ATOM    175  CD  LYS A  12      -9.054  -6.304  -0.842  1.00  1.49           C  
ATOM    176  CE  LYS A  12     -10.111  -5.179  -0.690  1.00  2.22           C  
ATOM    177  NZ  LYS A  12     -10.009  -4.161  -1.812  1.00  2.81           N  
ATOM    178  H   LYS A  12      -6.253  -5.363   1.488  1.00  0.37           H  
ATOM    179  HA  LYS A  12      -4.879  -7.060  -0.367  1.00  0.57           H  
ATOM    180  HB2 LYS A  12      -6.655  -5.082  -1.549  1.00  1.16           H  
ATOM    181  HB3 LYS A  12      -6.705  -6.834  -1.624  1.00  1.11           H  
ATOM    182  HG2 LYS A  12      -7.638  -6.719   0.721  1.00  1.90           H  
ATOM    183  HG3 LYS A  12      -7.892  -4.998   0.390  1.00  1.93           H  
ATOM    184  HD2 LYS A  12      -8.790  -6.429  -1.876  1.00  1.75           H  
ATOM    185  HD3 LYS A  12      -9.457  -7.237  -0.452  1.00  1.81           H  
ATOM    186  HE2 LYS A  12     -11.134  -5.580  -0.662  1.00  2.59           H  
ATOM    187  HE3 LYS A  12      -9.929  -4.658   0.219  1.00  2.81           H  
ATOM    188  HZ1 LYS A  12      -9.573  -4.573  -2.659  1.00  3.05           H  
ATOM    189  HZ2 LYS A  12      -9.407  -3.390  -1.475  1.00  3.25           H  
ATOM    190  HZ3 LYS A  12     -10.938  -3.748  -2.079  1.00  3.22           H  
ATOM    191  N   ALA A  13      -4.643  -3.815  -0.712  1.00  0.44           N  
ATOM    192  CA  ALA A  13      -3.884  -2.774  -1.347  1.00  0.46           C  
ATOM    193  C   ALA A  13      -2.514  -2.730  -0.817  1.00  0.42           C  
ATOM    194  O   ALA A  13      -1.585  -2.570  -1.533  1.00  0.41           O  
ATOM    195  CB  ALA A  13      -4.539  -1.427  -1.147  1.00  0.53           C  
ATOM    196  H   ALA A  13      -5.383  -3.583  -0.117  1.00  0.44           H  
ATOM    197  HA  ALA A  13      -3.841  -2.980  -2.403  1.00  0.50           H  
ATOM    198  HB1 ALA A  13      -5.514  -1.423  -1.610  1.00  1.14           H  
ATOM    199  HB2 ALA A  13      -3.925  -0.657  -1.596  1.00  1.11           H  
ATOM    200  HB3 ALA A  13      -4.638  -1.223  -0.097  1.00  1.17           H  
ATOM    201  N   LYS A  14      -2.420  -2.872   0.463  1.00  0.45           N  
ATOM    202  CA  LYS A  14      -1.160  -2.812   1.119  1.00  0.49           C  
ATOM    203  C   LYS A  14      -0.166  -3.776   0.603  1.00  0.46           C  
ATOM    204  O   LYS A  14       1.002  -3.474   0.486  1.00  0.48           O  
ATOM    205  CB  LYS A  14      -1.380  -3.093   2.524  1.00  0.63           C  
ATOM    206  CG  LYS A  14      -0.233  -2.748   3.342  1.00  1.21           C  
ATOM    207  CD  LYS A  14      -0.693  -2.718   4.735  1.00  1.46           C  
ATOM    208  CE  LYS A  14       0.028  -3.688   5.566  1.00  1.83           C  
ATOM    209  NZ  LYS A  14       0.224  -3.113   6.889  1.00  2.61           N  
ATOM    210  H   LYS A  14      -3.235  -3.012   0.995  1.00  0.49           H  
ATOM    211  HA  LYS A  14      -0.773  -1.816   1.024  1.00  0.51           H  
ATOM    212  HB2 LYS A  14      -2.213  -2.506   2.874  1.00  1.11           H  
ATOM    213  HB3 LYS A  14      -1.603  -4.151   2.656  1.00  1.10           H  
ATOM    214  HG2 LYS A  14       0.543  -3.504   3.201  1.00  1.79           H  
ATOM    215  HG3 LYS A  14       0.121  -1.788   3.043  1.00  1.86           H  
ATOM    216  HD2 LYS A  14      -0.509  -1.723   5.096  1.00  1.96           H  
ATOM    217  HD3 LYS A  14      -1.757  -2.922   4.776  1.00  2.03           H  
ATOM    218  HE2 LYS A  14      -0.557  -4.585   5.617  1.00  2.03           H  
ATOM    219  HE3 LYS A  14       0.984  -3.878   5.111  1.00  2.38           H  
ATOM    220  HZ1 LYS A  14       1.137  -3.408   7.232  1.00  3.16           H  
ATOM    221  HZ2 LYS A  14      -0.529  -3.476   7.516  1.00  3.03           H  
ATOM    222  HZ3 LYS A  14       0.187  -2.083   6.857  1.00  2.86           H  
ATOM    223  N   ARG A  15      -0.627  -4.922   0.296  1.00  0.48           N  
ATOM    224  CA  ARG A  15       0.238  -5.918  -0.212  1.00  0.54           C  
ATOM    225  C   ARG A  15       0.818  -5.542  -1.463  1.00  0.47           C  
ATOM    226  O   ARG A  15       2.000  -5.697  -1.709  1.00  0.50           O  
ATOM    227  CB  ARG A  15      -0.561  -7.067  -0.475  1.00  0.67           C  
ATOM    228  CG  ARG A  15      -0.445  -7.914   0.602  1.00  1.28           C  
ATOM    229  CD  ARG A  15      -1.040  -9.068   0.222  1.00  1.59           C  
ATOM    230  NE  ARG A  15      -2.200  -9.360   0.961  1.00  2.08           N  
ATOM    231  CZ  ARG A  15      -2.188 -10.588   1.307  1.00  2.71           C  
ATOM    232  NH1 ARG A  15      -1.055 -11.141   0.897  1.00  2.99           N  
ATOM    233  NH2 ARG A  15      -3.027 -11.182   2.097  1.00  3.61           N  
ATOM    234  H   ARG A  15      -1.584  -5.109   0.404  1.00  0.51           H  
ATOM    235  HA  ARG A  15       1.012  -6.147   0.501  1.00  0.61           H  
ATOM    236  HB2 ARG A  15      -1.614  -6.789  -0.582  1.00  1.17           H  
ATOM    237  HB3 ARG A  15      -0.241  -7.583  -1.382  1.00  1.29           H  
ATOM    238  HG2 ARG A  15       0.607  -8.095   0.793  1.00  1.99           H  
ATOM    239  HG3 ARG A  15      -0.922  -7.495   1.472  1.00  1.90           H  
ATOM    240  HD2 ARG A  15      -1.217  -9.158  -0.825  1.00  1.80           H  
ATOM    241  HD3 ARG A  15      -0.279  -9.790   0.510  1.00  2.30           H  
ATOM    242  HE  ARG A  15      -2.889  -8.703   1.228  1.00  2.53           H  
ATOM    243 HH11 ARG A  15      -0.374 -10.529   0.412  1.00  2.77           H  
ATOM    244 HH12 ARG A  15      -0.844 -12.047   0.991  1.00  3.76           H  
ATOM    245 HH21 ARG A  15      -3.792 -10.676   2.532  1.00  3.90           H  
ATOM    246 HH22 ARG A  15      -2.956 -12.157   2.232  1.00  4.24           H  
ATOM    247  N   ARG A  16      -0.047  -5.101  -2.273  1.00  0.42           N  
ATOM    248  CA  ARG A  16       0.346  -4.750  -3.521  1.00  0.41           C  
ATOM    249  C   ARG A  16       0.935  -3.390  -3.556  1.00  0.35           C  
ATOM    250  O   ARG A  16       1.765  -3.086  -4.394  1.00  0.42           O  
ATOM    251  CB  ARG A  16      -0.790  -4.773  -4.400  1.00  0.46           C  
ATOM    252  CG  ARG A  16      -0.222  -4.898  -5.715  1.00  1.25           C  
ATOM    253  CD  ARG A  16      -1.243  -4.992  -6.636  1.00  1.56           C  
ATOM    254  NE  ARG A  16      -1.938  -6.235  -6.515  1.00  2.31           N  
ATOM    255  CZ  ARG A  16      -2.815  -6.491  -7.372  1.00  2.97           C  
ATOM    256  NH1 ARG A  16      -3.299  -5.449  -8.025  1.00  3.13           N  
ATOM    257  NH2 ARG A  16      -3.345  -7.697  -7.492  1.00  3.98           N  
ATOM    258  H   ARG A  16      -1.012  -5.061  -2.017  1.00  0.44           H  
ATOM    259  HA  ARG A  16       1.081  -5.484  -3.863  1.00  0.47           H  
ATOM    260  HB2 ARG A  16      -1.453  -5.597  -4.182  1.00  1.01           H  
ATOM    261  HB3 ARG A  16      -1.323  -3.831  -4.338  1.00  0.96           H  
ATOM    262  HG2 ARG A  16       0.347  -4.015  -5.923  1.00  1.95           H  
ATOM    263  HG3 ARG A  16       0.389  -5.775  -5.751  1.00  1.85           H  
ATOM    264  HD2 ARG A  16      -1.947  -4.186  -6.467  1.00  1.80           H  
ATOM    265  HD3 ARG A  16      -0.829  -4.940  -7.615  1.00  2.03           H  
ATOM    266  HE  ARG A  16      -1.679  -6.899  -5.824  1.00  2.81           H  
ATOM    267 HH11 ARG A  16      -2.874  -4.548  -7.872  1.00  2.81           H  
ATOM    268 HH12 ARG A  16      -3.988  -5.536  -8.691  1.00  3.90           H  
ATOM    269 HH21 ARG A  16      -2.955  -8.457  -6.947  1.00  4.32           H  
ATOM    270 HH22 ARG A  16      -4.045  -7.867  -8.154  1.00  4.59           H  
ATOM    271  N   VAL A  17       0.448  -2.570  -2.693  1.00  0.30           N  
ATOM    272  CA  VAL A  17       0.874  -1.223  -2.637  1.00  0.31           C  
ATOM    273  C   VAL A  17       2.250  -1.152  -2.023  1.00  0.29           C  
ATOM    274  O   VAL A  17       3.090  -0.402  -2.475  1.00  0.32           O  
ATOM    275  CB  VAL A  17      -0.137  -0.386  -1.823  1.00  0.40           C  
ATOM    276  CG1 VAL A  17       0.548   0.627  -0.950  1.00  1.05           C  
ATOM    277  CG2 VAL A  17      -1.162   0.255  -2.752  1.00  1.18           C  
ATOM    278  H   VAL A  17      -0.263  -2.869  -2.081  1.00  0.32           H  
ATOM    279  HA  VAL A  17       0.906  -0.835  -3.643  1.00  0.34           H  
ATOM    280  HB  VAL A  17      -0.663  -1.038  -1.164  1.00  0.71           H  
ATOM    281 HG11 VAL A  17       1.349   1.093  -1.493  1.00  1.60           H  
ATOM    282 HG12 VAL A  17       0.932   0.127  -0.075  1.00  1.49           H  
ATOM    283 HG13 VAL A  17      -0.172   1.367  -0.668  1.00  1.69           H  
ATOM    284 HG21 VAL A  17      -1.051   1.331  -2.715  1.00  1.61           H  
ATOM    285 HG22 VAL A  17      -2.149  -0.018  -2.422  1.00  1.80           H  
ATOM    286 HG23 VAL A  17      -0.997  -0.093  -3.753  1.00  1.78           H  
ATOM    287  N   VAL A  18       2.450  -1.927  -0.977  1.00  0.33           N  
ATOM    288  CA  VAL A  18       3.710  -1.914  -0.270  1.00  0.39           C  
ATOM    289  C   VAL A  18       4.861  -2.278  -1.194  1.00  0.40           C  
ATOM    290  O   VAL A  18       5.918  -1.698  -1.122  1.00  0.43           O  
ATOM    291  CB  VAL A  18       3.663  -2.882   0.956  1.00  0.50           C  
ATOM    292  CG1 VAL A  18       4.884  -3.803   1.046  1.00  1.08           C  
ATOM    293  CG2 VAL A  18       3.470  -2.084   2.241  1.00  0.98           C  
ATOM    294  H   VAL A  18       1.715  -2.495  -0.654  1.00  0.35           H  
ATOM    295  HA  VAL A  18       3.871  -0.919   0.099  1.00  0.41           H  
ATOM    296  HB  VAL A  18       2.819  -3.521   0.847  1.00  0.79           H  
ATOM    297 HG11 VAL A  18       4.558  -4.812   0.921  1.00  1.68           H  
ATOM    298 HG12 VAL A  18       5.359  -3.676   2.005  1.00  1.48           H  
ATOM    299 HG13 VAL A  18       5.582  -3.549   0.280  1.00  1.67           H  
ATOM    300 HG21 VAL A  18       2.954  -1.173   2.013  1.00  1.51           H  
ATOM    301 HG22 VAL A  18       4.437  -1.867   2.669  1.00  1.55           H  
ATOM    302 HG23 VAL A  18       2.891  -2.675   2.936  1.00  1.51           H  
ATOM    303  N   GLN A  19       4.665  -3.263  -2.020  1.00  0.43           N  
ATOM    304  CA  GLN A  19       5.732  -3.716  -2.905  1.00  0.52           C  
ATOM    305  C   GLN A  19       6.207  -2.590  -3.767  1.00  0.51           C  
ATOM    306  O   GLN A  19       7.400  -2.442  -4.029  1.00  0.58           O  
ATOM    307  CB  GLN A  19       5.291  -4.870  -3.774  1.00  0.61           C  
ATOM    308  CG  GLN A  19       3.807  -5.021  -3.964  1.00  1.28           C  
ATOM    309  CD  GLN A  19       3.483  -6.215  -4.804  1.00  1.89           C  
ATOM    310  OE1 GLN A  19       2.568  -6.189  -5.620  1.00  2.57           O  
ATOM    311  NE2 GLN A  19       4.233  -7.283  -4.608  1.00  2.32           N  
ATOM    312  H   GLN A  19       3.810  -3.721  -2.006  1.00  0.43           H  
ATOM    313  HA  GLN A  19       6.559  -4.037  -2.290  1.00  0.59           H  
ATOM    314  HB2 GLN A  19       5.720  -4.760  -4.756  1.00  1.05           H  
ATOM    315  HB3 GLN A  19       5.662  -5.774  -3.334  1.00  1.04           H  
ATOM    316  HG2 GLN A  19       3.349  -5.142  -3.009  1.00  1.62           H  
ATOM    317  HG3 GLN A  19       3.433  -4.144  -4.443  1.00  1.75           H  
ATOM    318 HE21 GLN A  19       4.937  -7.243  -3.936  1.00  2.52           H  
ATOM    319 HE22 GLN A  19       4.064  -8.061  -5.157  1.00  2.78           H  
ATOM    320  N   ARG A  20       5.275  -1.809  -4.229  1.00  0.46           N  
ATOM    321  CA  ARG A  20       5.640  -0.715  -5.067  1.00  0.52           C  
ATOM    322  C   ARG A  20       6.034   0.474  -4.309  1.00  0.47           C  
ATOM    323  O   ARG A  20       7.014   1.148  -4.598  1.00  0.51           O  
ATOM    324  CB  ARG A  20       4.535  -0.198  -5.813  1.00  0.63           C  
ATOM    325  CG  ARG A  20       3.346  -1.020  -6.018  1.00  1.60           C  
ATOM    326  CD  ARG A  20       2.886  -0.436  -7.250  1.00  2.36           C  
ATOM    327  NE  ARG A  20       3.876  -0.689  -8.228  1.00  3.05           N  
ATOM    328  CZ  ARG A  20       3.652  -1.531  -9.135  1.00  3.87           C  
ATOM    329  NH1 ARG A  20       2.724  -2.483  -8.843  1.00  4.25           N  
ATOM    330  NH2 ARG A  20       4.518  -1.618 -10.163  1.00  4.68           N  
ATOM    331  H   ARG A  20       4.331  -1.968  -3.998  1.00  0.42           H  
ATOM    332  HA  ARG A  20       6.421  -1.019  -5.743  1.00  0.59           H  
ATOM    333  HB2 ARG A  20       4.167   0.725  -5.378  1.00  1.08           H  
ATOM    334  HB3 ARG A  20       4.940   0.064  -6.759  1.00  0.91           H  
ATOM    335  HG2 ARG A  20       3.584  -2.067  -6.157  1.00  2.01           H  
ATOM    336  HG3 ARG A  20       2.632  -0.873  -5.221  1.00  1.99           H  
ATOM    337  HD2 ARG A  20       1.962  -0.861  -7.543  1.00  2.65           H  
ATOM    338  HD3 ARG A  20       2.810   0.592  -7.110  1.00  2.73           H  
ATOM    339  HE  ARG A  20       4.727  -0.167  -8.198  1.00  3.25           H  
ATOM    340 HH11 ARG A  20       2.286  -2.492  -7.943  1.00  3.99           H  
ATOM    341 HH12 ARG A  20       2.388  -3.068  -9.562  1.00  5.04           H  
ATOM    342 HH21 ARG A  20       5.342  -1.034 -10.167  1.00  4.81           H  
ATOM    343 HH22 ARG A  20       4.261  -2.129 -10.962  1.00  5.34           H  
ATOM    344  N   GLU A  21       5.144   0.812  -3.400  1.00  0.45           N  
ATOM    345  CA  GLU A  21       5.317   1.973  -2.611  1.00  0.52           C  
ATOM    346  C   GLU A  21       6.608   1.836  -1.892  1.00  0.52           C  
ATOM    347  O   GLU A  21       7.378   2.773  -1.738  1.00  0.70           O  
ATOM    348  CB  GLU A  21       4.148   2.147  -1.648  1.00  0.63           C  
ATOM    349  CG  GLU A  21       3.602   3.550  -1.639  1.00  0.87           C  
ATOM    350  CD  GLU A  21       4.070   4.342  -0.456  1.00  1.61           C  
ATOM    351  OE1 GLU A  21       4.682   3.757   0.461  1.00  2.38           O  
ATOM    352  OE2 GLU A  21       3.830   5.564  -0.446  1.00  2.25           O  
ATOM    353  H   GLU A  21       4.338   0.252  -3.259  1.00  0.45           H  
ATOM    354  HA  GLU A  21       5.358   2.818  -3.288  1.00  0.62           H  
ATOM    355  HB2 GLU A  21       3.347   1.493  -1.925  1.00  0.81           H  
ATOM    356  HB3 GLU A  21       4.474   1.894  -0.648  1.00  1.02           H  
ATOM    357  HG2 GLU A  21       3.928   4.055  -2.533  1.00  1.58           H  
ATOM    358  HG3 GLU A  21       2.522   3.513  -1.619  1.00  1.29           H  
ATOM    359  N   LYS A  22       6.837   0.596  -1.472  1.00  0.45           N  
ATOM    360  CA  LYS A  22       8.019   0.241  -0.797  1.00  0.60           C  
ATOM    361  C   LYS A  22       8.884  -0.696  -1.472  1.00  0.66           C  
ATOM    362  O   LYS A  22       8.702  -1.923  -1.526  1.00  0.81           O  
ATOM    363  CB  LYS A  22       7.743  -0.394   0.393  1.00  0.82           C  
ATOM    364  CG  LYS A  22       7.321   0.503   1.403  1.00  1.58           C  
ATOM    365  CD  LYS A  22       7.082  -0.316   2.579  1.00  2.00           C  
ATOM    366  CE  LYS A  22       7.116   0.558   3.794  1.00  2.76           C  
ATOM    367  NZ  LYS A  22       8.082   1.666   3.619  1.00  3.43           N  
ATOM    368  H   LYS A  22       6.195  -0.102  -1.664  1.00  0.42           H  
ATOM    369  HA  LYS A  22       8.563   1.165  -0.578  1.00  0.75           H  
ATOM    370  HB2 LYS A  22       6.982  -1.115   0.256  1.00  1.15           H  
ATOM    371  HB3 LYS A  22       8.639  -0.888   0.758  1.00  1.29           H  
ATOM    372  HG2 LYS A  22       8.103   1.212   1.638  1.00  2.24           H  
ATOM    373  HG3 LYS A  22       6.409   1.039   1.199  1.00  2.13           H  
ATOM    374  HD2 LYS A  22       6.106  -0.763   2.509  1.00  2.27           H  
ATOM    375  HD3 LYS A  22       7.851  -1.054   2.688  1.00  2.41           H  
ATOM    376  HE2 LYS A  22       6.125   0.946   3.940  1.00  3.14           H  
ATOM    377  HE3 LYS A  22       7.403  -0.054   4.632  1.00  3.11           H  
ATOM    378  HZ1 LYS A  22       8.944   1.306   3.148  1.00  3.55           H  
ATOM    379  HZ2 LYS A  22       8.316   2.058   4.514  1.00  3.92           H  
ATOM    380  HZ3 LYS A  22       7.638   2.399   3.012  1.00  3.85           H  
ATOM    381  N   ARG A  23       9.846  -0.097  -1.918  1.00  0.81           N  
ATOM    382  CA  ARG A  23      10.862  -0.693  -2.593  1.00  1.08           C  
ATOM    383  C   ARG A  23      11.968  -1.333  -1.827  1.00  1.68           C  
ATOM    384  O   ARG A  23      12.656  -2.203  -2.430  1.00  2.41           O  
ATOM    385  CB  ARG A  23      11.402   0.446  -3.328  1.00  1.66           C  
ATOM    386  CG  ARG A  23      11.123   0.139  -4.542  1.00  2.42           C  
ATOM    387  CD  ARG A  23      12.196   0.110  -5.405  1.00  3.33           C  
ATOM    388  NE  ARG A  23      11.423  -0.297  -6.388  1.00  4.08           N  
ATOM    389  CZ  ARG A  23      11.325  -1.585  -6.211  1.00  4.77           C  
ATOM    390  NH1 ARG A  23      12.527  -2.050  -5.849  1.00  5.74           N  
ATOM    391  NH2 ARG A  23      10.093  -2.061  -5.625  1.00  4.87           N  
ATOM    392  OXT ARG A  23      12.223  -0.916  -0.697  1.00  2.30           O  
ATOM    393  H   ARG A  23       9.875   0.868  -1.804  1.00  0.86           H  
ATOM    394  HA  ARG A  23      10.448  -1.424  -3.280  1.00  1.62           H  
ATOM    395  HB2 ARG A  23      10.872   1.344  -3.120  1.00  2.26           H  
ATOM    396  HB3 ARG A  23      12.461   0.549  -3.189  1.00  1.96           H  
ATOM    397  HG2 ARG A  23      10.788  -0.886  -4.482  1.00  2.55           H  
ATOM    398  HG3 ARG A  23      10.327   0.741  -4.915  1.00  2.91           H  
ATOM    399  HD2 ARG A  23      12.741   1.025  -5.436  1.00  3.62           H  
ATOM    400  HD3 ARG A  23      12.831  -0.717  -5.106  1.00  3.73           H  
ATOM    401  HE  ARG A  23      10.741   0.409  -6.721  1.00  4.42           H  
ATOM    402 HH11 ARG A  23      13.272  -1.417  -5.633  1.00  5.99           H  
ATOM    403 HH12 ARG A  23      12.693  -3.015  -5.791  1.00  6.40           H  
ATOM    404 HH21 ARG A  23       9.329  -1.440  -5.399  1.00  4.43           H  
ATOM    405 HH22 ARG A  23      10.041  -3.031  -5.417  1.00  5.63           H  
TER     406      ARG A  23                                                      
MASTER      136    0    0    1    0    0    0    6  405    1    0    2          
END                                                                             



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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.