HEADER    DE NOVO PROTEIN                         20-JUL-18   6E5J              
TITLE     HETEROGENEOUS-BACKBONE MIMICS OF A DESIGNED DISULFIDE-RICH PROTEIN:   
TITLE    2 AIB TURN, BETA3 HELIX, N-METHYL HAIRPIN                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DESIGNED PEPTIDE NC_HEE_D1: AIB TURN, BETA3 HELIX, N-METHYL
COMPND   3 HAIRPIN MUTANT;                                                      
COMPND   4 CHAIN: A;                                                            
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE   4 ORGANISM_TAXID: 32630                                                
KEYWDS    HETEROGENEOUS BACKBONE FOLDAMER, DE NOVO PROTEIN                      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    C.C.CABALTEJA,D.S.MIHALKO,W.S.HORNE                                   
REVDAT   5   15-NOV-23 6E5J    1       ATOM                                     
REVDAT   4   14-JUN-23 6E5J    1       REMARK                                   
REVDAT   3   01-JAN-20 6E5J    1       REMARK                                   
REVDAT   2   16-JAN-19 6E5J    1       JRNL                                     
REVDAT   1   21-NOV-18 6E5J    0                                                
JRNL        AUTH   C.C.CABALTEJA,D.S.MIHALKO,W.S.HORNE                          
JRNL        TITL   HETEROGENEOUS-BACKBONE FOLDAMER MIMICS OF A COMPUTATIONALLY  
JRNL        TITL 2 DESIGNED, DISULFIDE-RICH MINIPROTEIN.                        
JRNL        REF    CHEMBIOCHEM                   V.  20   103 2019              
JRNL        REFN                   ESSN 1439-7633                               
JRNL        PMID   30326175                                                     
JRNL        DOI    10.1002/CBIC.201800558                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ARIA 2.3                                             
REMARK   3   AUTHORS     : LINGE, O'DONOGHUE AND NILGES                         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6E5J COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JUL-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000235746.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 275                                
REMARK 210  PH                             : 4.0                                
REMARK 210  IONIC STRENGTH                 : 5                                  
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 0.2 MM NA DSS, 1.4 MM NA           
REMARK 210                                   DESIGNED PEPTIDE NC_HEE_D1: AIB    
REMARK 210                                   TURN, BETA3 HELIX, N-METHYL        
REMARK 210                                   HAIRPIN MUTANT, 90% H2O/10% D2O    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D TOCSY; 2D NOESY; 2D COSY        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 700 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : SPARKY                             
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND 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  7 B3K A   3   CA  -  C   -  N   ANGL. DEV. =  15.9 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  1 LYS A   5      -70.72    -49.23                                   
REMARK 500  1 TYR A  11       30.51    -97.85                                   
REMARK 500  1 MVA A  16      114.34   -168.61                                   
REMARK 500  1 MVA A  25      113.92   -161.30                                   
REMARK 500  2 LYS A   5      -75.20    -73.97                                   
REMARK 500  2 TYR A  11       35.03    -86.10                                   
REMARK 500  3 ASP A   2       40.31    -95.49                                   
REMARK 500  3 B3K A   3        7.92    -61.58                                   
REMARK 500  3 B3K A   9        6.12    -68.93                                   
REMARK 500  3 TYR A  11       37.58    -89.61                                   
REMARK 500  4 LYS A   5      -70.26    -50.90                                   
REMARK 500  4 TYR A  11       40.88    -91.28                                   
REMARK 500  5 B3K A   3       21.58    -62.56                                   
REMARK 500  5 LYS A   5      -79.46    -65.71                                   
REMARK 500  6 LYS A   5      -79.32    -81.51                                   
REMARK 500  6 TYR A  11       31.13    -95.43                                   
REMARK 500  7 LYS A   5      -73.34    -51.51                                   
REMARK 500  7 AIB A  12      109.39    -54.16                                   
REMARK 500  8 B3K A   3        8.94    -66.52                                   
REMARK 500  8 TYR A  11       46.03    -86.08                                   
REMARK 500  9 B3K A   3       21.47    -72.72                                   
REMARK 500  9 LYS A   5      -73.44    -59.77                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 B3K A    3     CYS A    4          1       138.83                    
REMARK 500 B3E A    6     LEU A    7          1       141.76                    
REMARK 500 B3K A    9     ARG A   10          1       148.41                    
REMARK 500 B3K A    3     CYS A    4          2       144.34                    
REMARK 500 B3E A    6     LEU A    7          2       142.52                    
REMARK 500 B3K A    9     ARG A   10          2       143.84                    
REMARK 500 B3K A    3     CYS A    4          3       138.98                    
REMARK 500 B3E A    6     LEU A    7          3       144.86                    
REMARK 500 B3K A    9     ARG A   10          3       141.71                    
REMARK 500 B3K A    3     CYS A    4          4       139.45                    
REMARK 500 B3E A    6     LEU A    7          4       142.09                    
REMARK 500 B3K A    9     ARG A   10          4       137.37                    
REMARK 500 B3K A    3     CYS A    4          5       140.68                    
REMARK 500 B3E A    6     LEU A    7          5       141.88                    
REMARK 500 B3K A    9     ARG A   10          5       143.21                    
REMARK 500 B3K A    3     CYS A    4          6       140.29                    
REMARK 500 B3E A    6     LEU A    7          6       141.79                    
REMARK 500 B3K A    9     ARG A   10          6       140.95                    
REMARK 500 B3K A    3     CYS A    4          7       140.63                    
REMARK 500 B3E A    6     LEU A    7          7       145.60                    
REMARK 500 B3K A    9     ARG A   10          7       144.34                    
REMARK 500 B3K A    3     CYS A    4          8       137.08                    
REMARK 500 B3E A    6     LEU A    7          8       141.84                    
REMARK 500 B3K A    9     ARG A   10          8       145.07                    
REMARK 500 B3K A    3     CYS A    4          9       143.61                    
REMARK 500 B3E A    6     LEU A    7          9       142.02                    
REMARK 500 B3K A    9     ARG A   10          9       140.16                    
REMARK 500 B3K A    3     CYS A    4         10       136.17                    
REMARK 500 B3E A    6     LEU A    7         10       143.98                    
REMARK 500 B3K A    9     ARG A   10         10       145.46                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500  1 B3K A   3        -19.66                                           
REMARK 500  1 B3E A   6        -18.12                                           
REMARK 500  1 B3K A   9        -18.81                                           
REMARK 500  2 B3K A   3        -19.41                                           
REMARK 500  2 B3E A   6        -19.04                                           
REMARK 500  2 B3K A   9        -16.96                                           
REMARK 500  3 B3K A   3        -19.76                                           
REMARK 500  3 B3E A   6        -19.03                                           
REMARK 500  3 B3K A   9        -17.98                                           
REMARK 500  4 B3K A   3        -18.65                                           
REMARK 500  4 B3E A   6        -19.15                                           
REMARK 500  4 B3K A   9        -17.33                                           
REMARK 500  5 B3K A   3        -18.39                                           
REMARK 500  5 B3E A   6        -18.08                                           
REMARK 500  5 B3K A   9        -18.54                                           
REMARK 500  6 B3K A   3        -19.80                                           
REMARK 500  6 B3E A   6        -18.53                                           
REMARK 500  6 B3K A   9        -17.97                                           
REMARK 500  7 B3K A   3        -19.89                                           
REMARK 500  7 B3E A   6        -18.76                                           
REMARK 500  7 B3K A   9        -18.10                                           
REMARK 500  8 B3K A   3        -20.41                                           
REMARK 500  8 B3E A   6        -19.02                                           
REMARK 500  8 B3K A   9        -17.25                                           
REMARK 500  9 B3K A   3        -18.69                                           
REMARK 500  9 B3E A   6        -19.43                                           
REMARK 500  9 B3K A   9        -18.34                                           
REMARK 500 10 B3K A   3        -19.70                                           
REMARK 500 10 B3E A   6        -19.12                                           
REMARK 500 10 B3K A   9        -18.28                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 30498   RELATED DB: BMRB                                 
REMARK 900 HETEROGENEOUS-BACKBONE MIMICS OF A DESIGNED DISULFIDE-RICH PROTEIN:  
REMARK 900 AIB TURN, BETA3 HELIX, N-METHYL HAIRPIN                              
DBREF  6E5J A    1    28  PDB    6E5J     6E5J             1     28             
SEQRES   1 A   28  ASN ASP B3K CYS LYS B3E LEU LYS B3K ARG TYR AIB GLY          
SEQRES   2 A   28  CYS GLU MVA ARG CYS ASP DPR PRO ARG TYR GLU MVA HIS          
SEQRES   3 A   28  CYS NH2                                                      
HET    B3K  A   3      24                                                       
HET    B3E  A   6      18                                                       
HET    B3K  A   9      24                                                       
HET    AIB  A  12      13                                                       
HET    MVA  A  16      19                                                       
HET    DPR  A  20      14                                                       
HET    MVA  A  25      19                                                       
HET    NH2  A  28       3                                                       
HETNAM     B3K (3S)-3,7-DIAMINOHEPTANOIC ACID                                   
HETNAM     B3E (3S)-3-AMINOHEXANEDIOIC ACID                                     
HETNAM     AIB ALPHA-AMINOISOBUTYRIC ACID                                       
HETNAM     MVA N-METHYLVALINE                                                   
HETNAM     DPR D-PROLINE                                                        
HETNAM     NH2 AMINO GROUP                                                      
FORMUL   1  B3K    2(C7 H16 N2 O2)                                              
FORMUL   1  B3E    C6 H11 N O4                                                  
FORMUL   1  AIB    C4 H9 N O2                                                   
FORMUL   1  MVA    2(C6 H13 N O2)                                               
FORMUL   1  DPR    C5 H9 N O2                                                   
FORMUL   1  NH2    H2 N                                                         
HELIX    1 AA1 ASP A    2  TYR A   11  1                                  10    
SHEET    1 AA1 2 GLU A  15  ASP A  19  0                                        
SHEET    2 AA1 2 ARG A  22  HIS A  26 -1  O  ARG A  22   N  ASP A  19           
SSBOND   1 CYS A    4    CYS A   18                          1555   1555  2.03  
SSBOND   2 CYS A   14    CYS A   27                          1555   1555  2.03  
LINK         C   ASP A   2                 N   B3K A   3     1555   1555  1.33  
LINK         C   B3K A   3                 N   CYS A   4     1555   1555  1.33  
LINK         C   LYS A   5                 N   B3E A   6     1555   1555  1.33  
LINK         C   B3E A   6                 N   LEU A   7     1555   1555  1.33  
LINK         C   LYS A   8                 N   B3K A   9     1555   1555  1.32  
LINK         C   B3K A   9                 N   ARG A  10     1555   1555  1.33  
LINK         C   TYR A  11                 N   AIB A  12     1555   1555  1.33  
LINK         C   AIB A  12                 N   GLY A  13     1555   1555  1.33  
LINK         C   GLU A  15                 N   MVA A  16     1555   1555  1.34  
LINK         C   MVA A  16                 N   ARG A  17     1555   1555  1.32  
LINK         C   ASP A  19                 N   DPR A  20     1555   1555  1.34  
LINK         C   DPR A  20                 N   PRO A  21     1555   1555  1.34  
LINK         C   GLU A  24                 N   MVA A  25     1555   1555  1.34  
LINK         C   MVA A  25                 N   HIS A  26     1555   1555  1.32  
LINK         C   CYS A  27                 N   NH2 A  28     1555   1555  1.32  
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                         
MODEL        1                                                                  
ATOM      1  N   ASN A   1      13.519  -3.577  -0.487  1.00  2.83           N  
ATOM      2  CA  ASN A   1      12.265  -3.526   0.295  1.00  2.53           C  
ATOM      3  C   ASN A   1      11.089  -3.884  -0.602  1.00  1.75           C  
ATOM      4  O   ASN A   1      10.847  -3.223  -1.612  1.00  1.89           O  
ATOM      5  CB  ASN A   1      12.067  -2.126   0.882  1.00  3.29           C  
ATOM      6  CG  ASN A   1      10.947  -2.058   1.908  1.00  4.23           C  
ATOM      7  OD1 ASN A   1       9.993  -2.830   1.866  1.00  4.58           O  
ATOM      8  ND2 ASN A   1      11.056  -1.126   2.842  1.00  4.97           N  
ATOM      9  H1  ASN A   1      13.477  -2.894  -1.268  1.00  3.33           H  
ATOM     10  H2  ASN A   1      13.654  -4.527  -0.883  1.00  3.20           H  
ATOM     11  H3  ASN A   1      14.331  -3.346   0.118  1.00  2.74           H  
ATOM     12  HA  ASN A   1      12.331  -4.246   1.097  1.00  2.86           H  
ATOM     13  HB2 ASN A   1      12.982  -1.813   1.359  1.00  3.24           H  
ATOM     14  HB3 ASN A   1      11.834  -1.440   0.080  1.00  3.69           H  
ATOM     15 HD21 ASN A   1      11.842  -0.538   2.819  1.00  4.96           H  
ATOM     16 HD22 ASN A   1      10.345  -1.060   3.515  1.00  5.67           H  
ATOM     17  N   ASP A   2      10.367  -4.933  -0.238  1.00  1.32           N  
ATOM     18  CA  ASP A   2       9.251  -5.413  -1.044  1.00  0.96           C  
ATOM     19  C   ASP A   2       7.916  -5.022  -0.425  1.00  0.74           C  
ATOM     20  O   ASP A   2       6.854  -5.417  -0.912  1.00  0.80           O  
ATOM     21  CB  ASP A   2       9.320  -6.932  -1.203  1.00  1.49           C  
ATOM     22  CG  ASP A   2       9.040  -7.673   0.089  1.00  2.21           C  
ATOM     23  OD1 ASP A   2       7.972  -8.309   0.196  1.00  2.88           O  
ATOM     24  OD2 ASP A   2       9.886  -7.620   1.008  1.00  2.65           O1-
ATOM     25  H   ASP A   2      10.592  -5.403   0.595  1.00  1.67           H  
ATOM     26  HA  ASP A   2       9.327  -4.954  -2.019  1.00  1.19           H  
ATOM     27  HB2 ASP A   2       8.591  -7.241  -1.936  1.00  1.81           H  
ATOM     28  HB3 ASP A   2      10.305  -7.205  -1.546  1.00  2.06           H  
HETATM   29  N   B3K A   3       7.966  -4.253   0.653  1.00  0.63           N  
HETATM   30  CA  B3K A   3       6.758  -3.814   1.308  1.00  0.56           C  
HETATM   31  CG  B3K A   3       6.881  -4.002   2.827  1.00  0.70           C  
HETATM   32  CD  B3K A   3       7.106  -5.445   3.258  1.00  0.81           C  
HETATM   33  CE  B3K A   3       5.957  -6.342   2.830  1.00  1.07           C  
HETATM   34  CF  B3K A   3       6.146  -7.770   3.314  1.00  1.41           C  
HETATM   35  NZ  B3K A   3       7.410  -8.370   2.811  1.00  1.88           N  
HETATM   36  CB  B3K A   3       6.501  -2.333   1.044  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.292  -2.113   0.174  1.00  0.52           C  
HETATM   38  O   B3K A   3       4.176  -2.522   0.513  1.00  0.53           O  
HETATM   39  H   B3K A   3       8.839  -3.965   1.003  1.00  0.74           H  
HETATM   40  HA  B3K A   3       5.937  -4.411   0.888  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       5.975  -3.647   3.294  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       7.711  -3.411   3.183  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       7.197  -5.478   4.334  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       8.018  -5.807   2.808  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       5.899  -6.343   1.751  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       5.038  -5.954   3.240  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       5.314  -8.366   2.968  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       6.164  -7.772   4.393  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3       7.467  -8.282   1.771  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3       7.452  -9.377   3.061  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       6.342  -1.832   1.986  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       7.361  -1.905   0.549  1.00  0.56           H  
ATOM     53  N   CYS A   4       5.523  -1.478  -0.969  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.477  -1.255  -1.947  1.00  0.57           C  
ATOM     55  C   CYS A   4       3.986  -2.580  -2.501  1.00  0.56           C  
ATOM     56  O   CYS A   4       2.793  -2.861  -2.455  1.00  0.78           O  
ATOM     57  CB  CYS A   4       4.982  -0.376  -3.095  1.00  0.62           C  
ATOM     58  SG  CYS A   4       5.587   1.265  -2.586  1.00  1.29           S  
ATOM     59  H   CYS A   4       6.429  -1.155  -1.162  1.00  0.55           H  
ATOM     60  HA  CYS A   4       3.658  -0.756  -1.451  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       5.794  -0.881  -3.595  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       4.176  -0.225  -3.797  1.00  1.09           H  
ATOM     63  N   LYS A   5       4.926  -3.396  -2.986  1.00  0.45           N  
ATOM     64  CA  LYS A   5       4.605  -4.661  -3.646  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.630  -5.484  -2.816  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.462  -5.626  -3.181  1.00  0.35           O  
ATOM     67  CB  LYS A   5       5.879  -5.466  -3.903  1.00  0.57           C  
ATOM     68  CG  LYS A   5       6.847  -4.787  -4.856  1.00  0.70           C  
ATOM     69  CD  LYS A   5       8.157  -5.552  -4.967  1.00  1.19           C  
ATOM     70  CE  LYS A   5       7.937  -6.977  -5.451  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       9.216  -7.719  -5.597  1.00  2.67           N1+
ATOM     72  H   LYS A   5       5.871  -3.141  -2.886  1.00  0.48           H  
ATOM     73  HA  LYS A   5       4.143  -4.429  -4.593  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       6.385  -5.627  -2.964  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       5.604  -6.421  -4.323  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       6.392  -4.729  -5.833  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       7.051  -3.791  -4.493  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       8.800  -5.042  -5.668  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       8.628  -5.580  -3.997  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       7.314  -7.493  -4.738  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       7.438  -6.946  -6.407  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5       9.030  -8.686  -5.935  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5       9.706  -7.776  -4.682  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5       9.833  -7.240  -6.280  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.097  -6.017  -1.697  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.241  -6.802  -0.840  1.00  0.30           C  
HETATM   87  CG  B3E A   6       3.734  -8.253  -0.806  1.00  0.49           C  
HETATM   88  CD  B3E A   6       3.695  -8.929  -2.165  1.00  0.97           C  
HETATM   89  CE  B3E A   6       4.292 -10.317  -2.150  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       5.439 -10.479  -2.620  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       3.611 -11.260  -1.697  1.00  1.43           O  
HETATM   92  CB  B3E A   6       3.237  -6.266   0.587  1.00  0.35           C  
HETATM   93  C   B3E A   6       1.915  -5.639   0.960  1.00  0.38           C  
HETATM   94  O   B3E A   6       0.941  -6.327   1.300  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.040  -5.870  -1.445  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.228  -6.726  -1.263  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       3.114  -8.816  -0.127  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       4.753  -8.267  -0.447  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       4.246  -8.324  -2.870  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       2.667  -9.004  -2.486  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       3.434  -7.079   1.268  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.009  -5.518   0.689  1.00  0.37           H  
ATOM    103  N   LEU A   7       1.879  -4.314   0.884  1.00  0.40           N  
ATOM    104  CA  LEU A   7       0.681  -3.563   1.200  1.00  0.51           C  
ATOM    105  C   LEU A   7      -0.283  -3.553   0.020  1.00  0.54           C  
ATOM    106  O   LEU A   7      -1.472  -3.818   0.192  1.00  0.63           O  
ATOM    107  CB  LEU A   7       1.039  -2.133   1.610  1.00  0.62           C  
ATOM    108  CG  LEU A   7       1.923  -2.020   2.856  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       2.377  -0.586   3.055  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       1.183  -2.509   4.090  1.00  0.89           C  
ATOM    111  H   LEU A   7       2.691  -3.826   0.609  1.00  0.37           H  
ATOM    112  HA  LEU A   7       0.200  -4.054   2.032  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       1.553  -1.663   0.784  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       0.124  -1.594   1.796  1.00  0.77           H  
ATOM    115  HG  LEU A   7       2.802  -2.635   2.726  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       1.514   0.053   3.163  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       2.956  -0.272   2.200  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       2.985  -0.523   3.945  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       0.925  -3.550   3.969  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       0.282  -1.928   4.221  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       1.815  -2.392   4.957  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.228  -3.266  -1.182  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.615  -3.261  -2.373  1.00  0.62           C  
ATOM    124  C   LYS A   8      -1.158  -4.663  -2.603  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.331  -4.849  -2.921  1.00  0.75           O  
ATOM    126  CB  LYS A   8       0.158  -2.772  -3.600  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -0.731  -2.387  -4.766  1.00  0.90           C  
ATOM    128  CD  LYS A   8       0.087  -1.960  -5.974  1.00  1.14           C  
ATOM    129  CE  LYS A   8      -0.801  -1.439  -7.093  1.00  1.72           C  
ATOM    130  NZ  LYS A   8      -1.743  -2.476  -7.590  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.186  -3.062  -1.269  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -1.444  -2.594  -2.186  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.743  -1.908  -3.320  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       0.826  -3.556  -3.927  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -1.336  -3.235  -5.037  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -1.368  -1.568  -4.466  1.00  1.35           H  
ATOM    137  HD2 LYS A   8       0.771  -1.180  -5.678  1.00  1.64           H  
ATOM    138  HD3 LYS A   8       0.644  -2.811  -6.337  1.00  1.57           H  
ATOM    139  HE2 LYS A   8      -1.370  -0.599  -6.721  1.00  2.39           H  
ATOM    140  HE3 LYS A   8      -0.175  -1.112  -7.908  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8      -2.367  -2.072  -8.316  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8      -2.327  -2.836  -6.811  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8      -1.214  -3.270  -8.008  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.281  -5.644  -2.455  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -0.663  -7.033  -2.574  1.00  0.57           C  
HETATM  146  CG  B3K A   9       0.097  -7.708  -3.725  1.00  0.76           C  
HETATM  147  CD  B3K A   9      -0.119  -7.062  -5.084  1.00  1.37           C  
HETATM  148  CE  B3K A   9       0.662  -7.781  -6.176  1.00  1.57           C  
HETATM  149  CF  B3K A   9       2.164  -7.731  -5.925  1.00  2.17           C  
HETATM  150  NZ  B3K A   9       2.929  -8.445  -6.982  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.298  -7.773  -1.291  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.494  -8.290  -0.530  1.00  0.43           C  
HETATM  153  O   B3K A   9      -2.321  -9.033  -1.060  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.661  -5.420  -2.278  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -1.749  -7.063  -2.725  1.00  0.62           H  
HETATM  156  HG2 B3K A   9      -0.215  -8.740  -3.789  1.00  1.17           H  
HETATM  157  HG3 B3K A   9       1.153  -7.677  -3.504  1.00  1.48           H  
HETATM  158  HD2 B3K A   9       0.206  -6.032  -5.040  1.00  2.13           H  
HETATM  159  HD3 B3K A   9      -1.171  -7.098  -5.326  1.00  1.86           H  
HETATM  160  HE2 B3K A   9       0.451  -7.311  -7.125  1.00  2.04           H  
HETATM  161  HE3 B3K A   9       0.350  -8.814  -6.207  1.00  1.90           H  
HETATM  162  HF1 B3K A   9       2.373  -8.193  -4.971  1.00  2.47           H  
HETATM  163  HF2 B3K A   9       2.480  -6.700  -5.900  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9       3.951  -8.368  -6.801  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9       2.723  -8.035  -7.914  1.00  3.36           H  
HETATM  166  HB1 B3K A   9       0.331  -8.613  -1.542  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.246  -7.103  -0.644  1.00  0.45           H  
ATOM    168  N   ARG A  10      -1.584  -7.877   0.732  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -2.626  -8.364   1.632  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.923  -7.576   1.488  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.998  -8.066   1.829  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -2.148  -8.286   3.082  1.00  0.54           C  
ATOM    173  CG  ARG A  10      -0.975  -9.197   3.397  1.00  0.96           C  
ATOM    174  CD  ARG A  10      -0.576  -9.094   4.859  1.00  1.33           C  
ATOM    175  NE  ARG A  10      -0.078  -7.760   5.207  1.00  1.88           N  
ATOM    176  CZ  ARG A  10      -0.668  -6.943   6.083  1.00  2.80           C  
ATOM    177  NH1 ARG A  10      -1.833  -7.274   6.635  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10      -0.104  -5.780   6.386  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.919  -7.230   1.070  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -2.819  -9.394   1.384  1.00  0.53           H  
ATOM    181  HB2 ARG A  10      -1.853  -7.267   3.296  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -2.968  -8.553   3.729  1.00  1.03           H  
ATOM    183  HG2 ARG A  10      -1.254 -10.217   3.180  1.00  1.46           H  
ATOM    184  HG3 ARG A  10      -0.133  -8.912   2.783  1.00  1.60           H  
ATOM    185  HD2 ARG A  10      -1.439  -9.315   5.468  1.00  1.90           H  
ATOM    186  HD3 ARG A  10       0.198  -9.822   5.059  1.00  1.74           H  
ATOM    187  HE  ARG A  10       0.762  -7.470   4.780  1.00  2.07           H  
ATOM    188 HH11 ARG A  10      -2.274  -6.655   7.296  1.00  4.18           H  
ATOM    189 HH12 ARG A  10      -2.282  -8.137   6.395  1.00  3.23           H  
ATOM    190 HH21 ARG A  10      -0.546  -5.162   7.045  1.00  4.28           H  
ATOM    191 HH22 ARG A  10       0.769  -5.516   5.967  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.826  -6.357   0.986  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.992  -5.492   0.880  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.577  -5.540  -0.526  1.00  0.33           C  
ATOM    195  O   TYR A  11      -6.186  -4.577  -0.994  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -4.618  -4.062   1.268  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -4.121  -3.946   2.692  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.970  -4.186   3.763  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.806  -3.595   2.966  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -4.524  -4.083   5.066  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -2.352  -3.489   4.266  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -3.215  -3.734   5.312  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -2.766  -3.630   6.610  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.956  -6.031   0.674  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.733  -5.859   1.573  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.836  -3.710   0.612  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -5.484  -3.428   1.163  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.995  -4.462   3.567  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -2.134  -3.404   2.144  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -5.203  -4.273   5.885  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -1.327  -3.216   4.458  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -3.068  -4.400   7.116  1.00  1.30           H  
HETATM  213  N   AIB A  12      -5.417  -6.696  -1.167  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.881  -6.926  -2.543  1.00  0.54           C  
HETATM  215  C   AIB A  12      -7.390  -6.672  -2.657  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.870  -6.175  -3.679  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -5.577  -8.355  -2.937  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -5.134  -6.027  -3.506  1.00  0.69           C  
HETATM  219  H   AIB A  12      -4.966  -7.428  -0.696  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -4.521  -8.546  -2.814  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -5.853  -8.508  -3.969  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -6.140  -9.029  -2.309  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -5.332  -4.995  -3.261  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -5.463  -6.229  -4.514  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -4.073  -6.218  -3.427  1.00  1.24           H  
ATOM    226  N   GLY A  13      -8.130  -7.016  -1.613  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.568  -6.841  -1.636  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.995  -5.471  -1.151  1.00  0.45           C  
ATOM    229  O   GLY A  13     -11.183  -5.208  -0.968  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.697  -7.391  -0.817  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.919  -6.979  -2.648  1.00  0.50           H  
ATOM    232  HA3 GLY A  13     -10.020  -7.590  -1.006  1.00  0.55           H  
ATOM    233  N   CYS A  14      -9.025  -4.594  -0.952  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -9.289  -3.254  -0.459  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.600  -2.221  -1.337  1.00  0.27           C  
ATOM    236  O   CYS A  14      -8.014  -2.566  -2.367  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -8.797  -3.131   0.980  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -9.636  -4.253   2.146  1.00  0.86           S  
ATOM    239  H   CYS A  14      -8.096  -4.852  -1.144  1.00  0.27           H  
ATOM    240  HA  CYS A  14     -10.355  -3.089  -0.487  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -7.740  -3.354   1.010  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -8.955  -2.119   1.322  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.680  -0.958  -0.941  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -8.008   0.106  -1.663  1.00  0.34           C  
ATOM    245  C   GLU A  15      -6.598   0.292  -1.118  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.396   0.262   0.094  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -8.794   1.409  -1.553  1.00  0.45           C  
ATOM    248  CG  GLU A  15     -10.100   1.391  -2.322  1.00  0.46           C  
ATOM    249  CD  GLU A  15      -9.889   1.166  -3.804  1.00  1.31           C  
ATOM    250  OE1 GLU A  15      -9.577   2.140  -4.521  1.00  2.00           O  
ATOM    251  OE2 GLU A  15     -10.022   0.012  -4.260  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.195  -0.736  -0.129  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -7.948  -0.185  -2.701  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -9.016   1.596  -0.514  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.188   2.217  -1.934  1.00  0.59           H  
ATOM    256  HG2 GLU A  15     -10.719   0.596  -1.938  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -10.600   2.336  -2.182  1.00  0.96           H  
HETATM  258  N   MVA A  16      -5.606   0.500  -1.998  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -5.935   0.636  -3.435  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.206   0.621  -1.550  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.674  -0.725  -0.990  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -3.859  -1.860  -1.988  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -2.213  -0.594  -0.581  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.273   1.128  -2.657  1.00  0.33           C  
HETATM  265  O   MVA A  16      -3.038   0.466  -3.676  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -5.070   1.000  -3.969  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -6.750   1.333  -3.553  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -6.221  -0.326  -3.832  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.156   1.336  -0.741  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -4.246  -0.969  -0.106  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -4.912  -1.989  -2.195  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -3.459  -2.773  -1.575  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -3.340  -1.620  -2.904  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -2.117   0.180   0.165  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -1.620  -0.333  -1.447  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -1.865  -1.533  -0.177  1.00  1.04           H  
ATOM    277  N   ARG A  17      -2.740   2.316  -2.437  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -1.883   2.968  -3.406  1.00  0.46           C  
ATOM    279  C   ARG A  17      -0.562   3.342  -2.758  1.00  0.44           C  
ATOM    280  O   ARG A  17      -0.521   4.149  -1.831  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -2.561   4.223  -3.954  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -3.908   3.964  -4.607  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -4.565   5.263  -5.047  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -4.846   6.151  -3.918  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -4.518   7.443  -3.886  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -3.890   8.000  -4.918  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -4.817   8.177  -2.821  1.00  3.60           N  
ATOM    288  H   ARG A  17      -2.904   2.759  -1.573  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -1.698   2.277  -4.214  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -2.706   4.919  -3.142  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -1.910   4.673  -4.688  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -3.764   3.333  -5.471  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -4.553   3.465  -3.898  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -3.902   5.767  -5.730  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -5.492   5.032  -5.551  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -5.311   5.762  -3.142  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -3.661   7.453  -5.727  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -3.643   8.970  -4.890  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -4.570   9.151  -2.791  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -5.296   7.764  -2.038  1.00  3.84           H  
ATOM    301  N   CYS A  18       0.510   2.749  -3.232  1.00  0.49           N  
ATOM    302  CA  CYS A  18       1.819   3.042  -2.687  1.00  0.49           C  
ATOM    303  C   CYS A  18       2.598   3.911  -3.660  1.00  0.50           C  
ATOM    304  O   CYS A  18       2.594   3.665  -4.868  1.00  0.67           O  
ATOM    305  CB  CYS A  18       2.581   1.753  -2.400  1.00  0.62           C  
ATOM    306  SG  CYS A  18       4.098   1.996  -1.418  1.00  1.54           S  
ATOM    307  H   CYS A  18       0.426   2.111  -3.973  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.680   3.583  -1.763  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       1.938   1.080  -1.852  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       2.863   1.295  -3.336  1.00  1.05           H  
ATOM    311  N   ASP A  19       3.241   4.936  -3.145  1.00  0.47           N  
ATOM    312  CA  ASP A  19       4.037   5.823  -3.972  1.00  0.61           C  
ATOM    313  C   ASP A  19       5.305   6.196  -3.228  1.00  0.55           C  
ATOM    314  O   ASP A  19       5.341   7.193  -2.505  1.00  0.58           O  
ATOM    315  CB  ASP A  19       3.243   7.077  -4.340  1.00  0.81           C  
ATOM    316  CG  ASP A  19       3.913   7.889  -5.430  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       4.441   8.983  -5.133  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       3.907   7.447  -6.599  1.00  1.37           O1-
ATOM    319  H   ASP A  19       3.193   5.099  -2.176  1.00  0.47           H  
ATOM    320  HA  ASP A  19       4.301   5.291  -4.873  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       2.262   6.787  -4.685  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       3.142   7.699  -3.463  1.00  0.85           H  
HETATM  323  N   DPR A  20       6.358   5.382  -3.385  1.00  0.55           N  
HETATM  324  CA  DPR A  20       7.615   5.554  -2.654  1.00  0.55           C  
HETATM  325  CB  DPR A  20       8.428   4.319  -3.038  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.868   3.886  -4.347  1.00  0.78           C  
HETATM  327  CD  DPR A  20       6.408   4.229  -4.302  1.00  0.65           C  
HETATM  328  C   DPR A  20       7.396   5.602  -1.142  1.00  0.42           C  
HETATM  329  O   DPR A  20       7.009   4.608  -0.528  1.00  0.42           O  
HETATM  330  HA  DPR A  20       8.142   6.438  -2.971  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       8.304   3.556  -2.286  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       9.470   4.585  -3.122  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       8.000   2.821  -4.470  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       8.354   4.420  -5.149  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.836   3.400  -3.912  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       6.057   4.503  -5.286  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.632   6.768  -0.528  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.461   6.956   0.916  1.00  0.50           C  
ATOM    339  C   PRO A  21       5.994   7.023   1.346  1.00  0.49           C  
ATOM    340  O   PRO A  21       5.685   6.947   2.536  1.00  0.54           O  
ATOM    341  CB  PRO A  21       8.149   8.297   1.175  1.00  0.65           C  
ATOM    342  CG  PRO A  21       8.027   9.035  -0.111  1.00  0.69           C  
ATOM    343  CD  PRO A  21       8.113   7.993  -1.191  1.00  0.58           C  
ATOM    344  HA  PRO A  21       7.961   6.181   1.474  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       7.645   8.813   1.980  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       9.183   8.130   1.438  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       7.075   9.541  -0.155  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       8.834   9.744  -0.208  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       7.474   8.256  -2.021  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       9.134   7.876  -1.521  1.00  0.59           H  
ATOM    351  N   ARG A  22       5.089   7.163   0.385  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.674   7.293   0.700  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.963   5.955   0.634  1.00  0.39           C  
ATOM    354  O   ARG A  22       3.102   5.211  -0.335  1.00  0.44           O  
ATOM    355  CB  ARG A  22       2.989   8.297  -0.228  1.00  0.67           C  
ATOM    356  CG  ARG A  22       3.263   9.749   0.131  1.00  0.83           C  
ATOM    357  CD  ARG A  22       2.956  10.028   1.599  1.00  0.97           C  
ATOM    358  NE  ARG A  22       1.667   9.462   2.016  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       1.473   8.822   3.172  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       2.461   8.709   4.054  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22       0.289   8.294   3.447  1.00  3.38           N  
ATOM    362  H   ARG A  22       5.377   7.160  -0.557  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.605   7.661   1.712  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       3.335   8.128  -1.239  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       1.923   8.132  -0.192  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       4.304   9.964  -0.055  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       2.646  10.386  -0.487  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       3.738   9.598   2.204  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       2.935  11.098   1.750  1.00  1.53           H  
ATOM    370  HE  ARG A  22       0.909   9.555   1.394  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       2.309   8.225   4.924  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       3.360   9.111   3.863  1.00  1.29           H  
ATOM    373 HH21 ARG A  22       0.141   7.814   4.315  1.00  3.77           H  
ATOM    374 HH22 ARG A  22      -0.470   8.368   2.781  1.00  3.90           H  
ATOM    375  N   TYR A  23       2.200   5.662   1.674  1.00  0.40           N  
ATOM    376  CA  TYR A  23       1.455   4.419   1.757  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.024   4.699   1.986  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.449   4.939   3.115  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.988   3.551   2.895  1.00  0.55           C  
ATOM    380  CG  TYR A  23       3.458   3.217   2.785  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       4.390   3.809   3.625  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       3.912   2.308   1.842  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       5.733   3.498   3.533  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       5.252   1.992   1.741  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       6.159   2.589   2.589  1.00  0.66           C  
ATOM    386  OH  TYR A  23       7.496   2.272   2.495  1.00  0.74           O  
ATOM    387  H   TYR A  23       2.136   6.304   2.411  1.00  0.52           H  
ATOM    388  HA  TYR A  23       1.576   3.891   0.822  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.838   4.069   3.831  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       1.437   2.623   2.914  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       4.053   4.521   4.364  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       3.199   1.843   1.177  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       6.441   3.968   4.196  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       5.582   1.281   1.000  1.00  0.70           H  
ATOM    395  HH  TYR A  23       7.837   2.060   3.374  1.00  1.09           H  
ATOM    396  N   GLU A  24      -0.800   4.681   0.919  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.237   4.869   1.025  1.00  0.23           C  
ATOM    398  C   GLU A  24      -2.922   3.513   1.112  1.00  0.27           C  
ATOM    399  O   GLU A  24      -2.617   2.620   0.327  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -2.775   5.646  -0.178  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -2.247   7.066  -0.279  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -2.553   7.892   0.952  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -3.745   8.036   1.301  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -1.605   8.421   1.567  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -0.403   4.519   0.035  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.434   5.426   1.926  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -2.502   5.121  -1.080  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -3.852   5.688  -0.112  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -1.177   7.029  -0.412  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -2.699   7.544  -1.136  1.00  1.43           H  
HETATM  411  N   MVA A  25      -3.851   3.329   2.062  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.208   4.452   2.956  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -4.532   2.028   2.198  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -3.601   0.960   2.834  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -3.009   1.433   4.154  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -4.347  -0.354   3.019  1.00  0.36           C  
HETATM  417  C   MVA A  25      -5.843   2.110   2.991  1.00  0.32           C  
HETATM  418  O   MVA A  25      -5.867   2.385   4.196  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -5.073   4.183   3.543  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -4.432   5.326   2.362  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -3.380   4.667   3.616  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -4.788   1.666   1.213  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -2.783   0.782   2.152  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -2.381   0.657   4.566  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -3.807   1.657   4.846  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -2.418   2.321   3.984  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -4.700  -0.706   2.059  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -5.189  -0.202   3.677  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -3.682  -1.090   3.448  1.00  1.18           H  
ATOM    430  N   HIS A  26      -6.936   1.853   2.294  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -8.256   1.858   2.897  1.00  0.48           C  
ATOM    432  C   HIS A  26      -8.823   0.448   2.863  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.232  -0.045   1.805  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.194   2.821   2.163  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -8.715   4.243   2.133  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -8.977   5.152   3.135  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -7.978   4.908   1.212  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -8.421   6.311   2.831  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -7.808   6.188   1.669  1.00  0.77           N  
ATOM    440  H   HIS A  26      -6.846   1.618   1.342  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -8.154   2.172   3.926  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.308   2.489   1.145  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.158   2.806   2.646  1.00  0.67           H  
ATOM    444  HD1 HIS A  26      -9.510   4.979   3.945  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -7.604   4.507   0.283  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -8.458   7.206   3.433  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -7.450   6.936   1.140  1.00  0.91           H  
ATOM    448  N   CYS A  27      -8.822  -0.203   4.014  1.00  0.63           N  
ATOM    449  CA  CYS A  27      -9.245  -1.588   4.109  1.00  0.72           C  
ATOM    450  C   CYS A  27      -9.995  -1.826   5.413  1.00  1.07           C  
ATOM    451  O   CYS A  27      -9.393  -2.088   6.453  1.00  1.52           O  
ATOM    452  CB  CYS A  27      -8.027  -2.506   4.028  1.00  0.83           C  
ATOM    453  SG  CYS A  27      -8.430  -4.266   3.777  1.00  1.10           S  
ATOM    454  H   CYS A  27      -8.528   0.261   4.826  1.00  0.68           H  
ATOM    455  HA  CYS A  27      -9.901  -1.797   3.278  1.00  0.61           H  
ATOM    456  HB2 CYS A  27      -7.406  -2.192   3.203  1.00  1.38           H  
ATOM    457  HB3 CYS A  27      -7.466  -2.423   4.947  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -11.310  -1.715   5.361  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -11.724  -1.502   4.497  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -11.818  -1.854   6.186  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
MODEL        2                                                                  
ATOM      1  N   ASN A   1      11.965  -1.777  -3.208  1.00  2.83           N  
ATOM      2  CA  ASN A   1      11.224  -1.963  -1.940  1.00  2.53           C  
ATOM      3  C   ASN A   1      10.509  -3.310  -1.938  1.00  1.75           C  
ATOM      4  O   ASN A   1      10.048  -3.777  -2.979  1.00  1.89           O  
ATOM      5  CB  ASN A   1      10.201  -0.831  -1.743  1.00  3.29           C  
ATOM      6  CG  ASN A   1       9.085  -0.838  -2.777  1.00  4.23           C  
ATOM      7  OD1 ASN A   1       8.054  -1.488  -2.596  1.00  4.58           O  
ATOM      8  ND2 ASN A   1       9.273  -0.099  -3.860  1.00  4.97           N  
ATOM      9  H1  ASN A   1      12.445  -0.855  -3.215  1.00  3.33           H  
ATOM     10  H2  ASN A   1      11.313  -1.823  -4.016  1.00  3.20           H  
ATOM     11  H3  ASN A   1      12.679  -2.527  -3.315  1.00  2.74           H  
ATOM     12  HA  ASN A   1      11.936  -1.944  -1.128  1.00  2.86           H  
ATOM     13  HB2 ASN A   1       9.755  -0.930  -0.766  1.00  3.24           H  
ATOM     14  HB3 ASN A   1      10.712   0.117  -1.800  1.00  3.69           H  
ATOM     15 HD21 ASN A   1      10.110   0.411  -3.938  1.00  4.96           H  
ATOM     16 HD22 ASN A   1       8.566  -0.092  -4.547  1.00  5.67           H  
ATOM     17  N   ASP A   2      10.446  -3.941  -0.768  1.00  1.32           N  
ATOM     18  CA  ASP A   2       9.710  -5.192  -0.613  1.00  0.96           C  
ATOM     19  C   ASP A   2       8.249  -4.899  -0.297  1.00  0.74           C  
ATOM     20  O   ASP A   2       7.346  -5.549  -0.827  1.00  0.80           O  
ATOM     21  CB  ASP A   2      10.331  -6.080   0.478  1.00  1.49           C  
ATOM     22  CG  ASP A   2      10.304  -5.450   1.860  1.00  2.21           C  
ATOM     23  OD1 ASP A   2       9.542  -5.929   2.727  1.00  2.88           O  
ATOM     24  OD2 ASP A   2      11.048  -4.475   2.088  1.00  2.65           O1-
ATOM     25  H   ASP A   2      10.913  -3.560   0.008  1.00  1.67           H  
ATOM     26  HA  ASP A   2       9.756  -5.714  -1.557  1.00  1.19           H  
ATOM     27  HB2 ASP A   2       9.787  -7.011   0.523  1.00  1.81           H  
ATOM     28  HB3 ASP A   2      11.358  -6.285   0.220  1.00  2.06           H  
HETATM   29  N   B3K A   3       8.019  -3.915   0.564  1.00  0.63           N  
HETATM   30  CA  B3K A   3       6.669  -3.526   0.925  1.00  0.56           C  
HETATM   31  CG  B3K A   3       6.433  -3.708   2.428  1.00  0.70           C  
HETATM   32  CD  B3K A   3       6.444  -5.158   2.883  1.00  0.81           C  
HETATM   33  CE  B3K A   3       6.109  -5.289   4.363  1.00  1.07           C  
HETATM   34  CF  B3K A   3       7.177  -4.659   5.245  1.00  1.41           C  
HETATM   35  NZ  B3K A   3       8.487  -5.355   5.128  1.00  1.88           N  
HETATM   36  CB  B3K A   3       6.418  -2.064   0.574  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.232  -1.885  -0.347  1.00  0.52           C  
HETATM   38  O   B3K A   3       4.094  -2.222  -0.006  1.00  0.53           O  
HETATM   39  H   B3K A   3       8.778  -3.449   0.969  1.00  0.74           H  
HETATM   40  HA  B3K A   3       5.990  -4.150   0.349  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       5.476  -3.280   2.682  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       7.206  -3.180   2.966  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       7.426  -5.571   2.708  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       5.714  -5.710   2.310  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       6.024  -6.336   4.609  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       5.167  -4.797   4.551  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       6.846  -4.703   6.273  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       7.303  -3.627   4.955  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3       8.800  -5.375   4.130  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3       8.407  -6.334   5.472  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       6.230  -1.513   1.483  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       7.293  -1.661   0.087  1.00  0.56           H  
ATOM     53  N   CYS A   4       5.515  -1.370  -1.534  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.489  -1.093  -2.523  1.00  0.57           C  
ATOM     55  C   CYS A   4       4.132  -2.363  -3.291  1.00  0.56           C  
ATOM     56  O   CYS A   4       3.016  -2.513  -3.782  1.00  0.78           O  
ATOM     57  CB  CYS A   4       4.978   0.005  -3.473  1.00  0.62           C  
ATOM     58  SG  CYS A   4       3.755   0.576  -4.703  1.00  1.29           S  
ATOM     59  H   CYS A   4       6.454  -1.173  -1.756  1.00  0.55           H  
ATOM     60  HA  CYS A   4       3.612  -0.745  -2.001  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       5.271   0.863  -2.889  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       5.839  -0.360  -4.015  1.00  1.09           H  
ATOM     63  N   LYS A   5       5.080  -3.284  -3.388  1.00  0.45           N  
ATOM     64  CA  LYS A   5       4.820  -4.564  -4.031  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.964  -5.444  -3.126  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.762  -5.600  -3.352  1.00  0.35           O  
ATOM     67  CB  LYS A   5       6.130  -5.266  -4.386  1.00  0.57           C  
ATOM     68  CG  LYS A   5       6.891  -4.594  -5.516  1.00  0.70           C  
ATOM     69  CD  LYS A   5       6.143  -4.708  -6.836  1.00  1.19           C  
ATOM     70  CE  LYS A   5       6.923  -4.089  -7.984  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       7.017  -2.610  -7.866  1.00  2.67           N1+
ATOM     72  H   LYS A   5       5.971  -3.099  -3.024  1.00  0.48           H  
ATOM     73  HA  LYS A   5       4.269  -4.367  -4.938  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       6.765  -5.281  -3.513  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       5.913  -6.281  -4.681  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       7.020  -3.549  -5.278  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       7.858  -5.065  -5.617  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       5.974  -5.752  -7.053  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       5.194  -4.201  -6.744  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       7.920  -4.502  -7.986  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       6.430  -4.337  -8.912  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5       7.465  -2.347  -6.964  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5       6.069  -2.187  -7.909  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5       7.586  -2.227  -8.647  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.575  -6.000  -2.087  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.851  -6.839  -1.157  1.00  0.30           C  
HETATM   87  CG  B3E A   6       4.389  -8.274  -1.206  1.00  0.49           C  
HETATM   88  CD  B3E A   6       4.252  -8.935  -2.568  1.00  0.97           C  
HETATM   89  CE  B3E A   6       4.859 -10.323  -2.605  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       6.053 -10.445  -2.949  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       4.149 -11.301  -2.293  1.00  1.43           O  
HETATM   92  CB  B3E A   6       4.004  -6.326   0.272  1.00  0.35           C  
HETATM   93  C   B3E A   6       2.692  -5.889   0.882  1.00  0.38           C  
HETATM   94  O   B3E A   6       1.811  -6.708   1.159  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.532  -5.834  -1.942  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.796  -6.798  -1.446  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       3.849  -8.870  -0.486  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       5.435  -8.265  -0.939  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       4.749  -8.322  -3.304  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       3.204  -9.012  -2.814  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       4.420  -7.113   0.884  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.675  -5.483   0.276  1.00  0.37           H  
ATOM    103  N   LEU A   7       2.556  -4.579   1.077  1.00  0.40           N  
ATOM    104  CA  LEU A   7       1.353  -4.018   1.666  1.00  0.51           C  
ATOM    105  C   LEU A   7       0.238  -3.954   0.636  1.00  0.54           C  
ATOM    106  O   LEU A   7      -0.865  -4.432   0.896  1.00  0.63           O  
ATOM    107  CB  LEU A   7       1.623  -2.625   2.240  1.00  0.62           C  
ATOM    108  CG  LEU A   7       2.660  -2.570   3.365  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       2.875  -1.137   3.817  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       2.232  -3.438   4.538  1.00  0.89           C  
ATOM    111  H   LEU A   7       3.282  -3.975   0.808  1.00  0.37           H  
ATOM    112  HA  LEU A   7       1.042  -4.672   2.465  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       1.960  -1.986   1.437  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       0.694  -2.231   2.623  1.00  0.77           H  
ATOM    115  HG  LEU A   7       3.601  -2.946   2.995  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       3.231  -0.547   2.985  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       3.606  -1.115   4.612  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       1.942  -0.728   4.173  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       2.203  -4.472   4.232  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       1.252  -3.134   4.872  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       2.938  -3.323   5.347  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.536  -3.383  -0.536  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.454  -3.275  -1.603  1.00  0.62           C  
ATOM    124  C   LYS A   8      -1.046  -4.645  -1.883  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.240  -4.865  -1.694  1.00  0.75           O  
ATOM    126  CB  LYS A   8       0.170  -2.699  -2.874  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -0.833  -2.474  -3.993  1.00  0.90           C  
ATOM    128  CD  LYS A   8      -0.164  -1.950  -5.249  1.00  1.14           C  
ATOM    129  CE  LYS A   8      -1.172  -1.711  -6.361  1.00  1.72           C  
ATOM    130  NZ  LYS A   8      -0.521  -1.197  -7.593  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.439  -3.036  -0.688  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -1.237  -2.617  -1.262  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.632  -1.751  -2.638  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       0.929  -3.379  -3.231  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -1.317  -3.411  -4.220  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -1.569  -1.757  -3.662  1.00  1.35           H  
ATOM    137  HD2 LYS A   8       0.331  -1.017  -5.020  1.00  1.64           H  
ATOM    138  HD3 LYS A   8       0.565  -2.673  -5.584  1.00  1.57           H  
ATOM    139  HE2 LYS A   8      -1.666  -2.644  -6.588  1.00  2.39           H  
ATOM    140  HE3 LYS A   8      -1.901  -0.992  -6.020  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8      -1.234  -1.016  -8.325  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8       0.161  -1.893  -7.956  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8      -0.018  -0.310  -7.388  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.203  -5.570  -2.318  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -0.646  -6.913  -2.569  1.00  0.57           C  
HETATM  146  CG  B3K A   9      -0.172  -7.362  -3.959  1.00  0.76           C  
HETATM  147  CD  B3K A   9      -0.697  -8.728  -4.381  1.00  1.37           C  
HETATM  148  CE  B3K A   9      -0.178  -9.130  -5.754  1.00  1.57           C  
HETATM  149  CF  B3K A   9       1.339  -9.255  -5.770  1.00  2.17           C  
HETATM  150  NZ  B3K A   9       1.850  -9.661  -7.106  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.042  -7.864  -1.535  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.035  -8.309  -0.491  1.00  0.43           C  
HETATM  153  O   B3K A   9      -1.748  -9.297  -0.664  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.740  -5.332  -2.476  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -1.746  -6.905  -2.477  1.00  0.62           H  
HETATM  156  HG2 B3K A   9       0.906  -7.398  -3.962  1.00  1.17           H  
HETATM  157  HG3 B3K A   9      -0.500  -6.636  -4.688  1.00  1.48           H  
HETATM  158  HD2 B3K A   9      -1.777  -8.694  -4.411  1.00  2.13           H  
HETATM  159  HD3 B3K A   9      -0.380  -9.465  -3.661  1.00  1.86           H  
HETATM  160  HE2 B3K A   9      -0.477  -8.383  -6.473  1.00  2.04           H  
HETATM  161  HE3 B3K A   9      -0.609 -10.083  -6.025  1.00  1.90           H  
HETATM  162  HF1 B3K A   9       1.636  -9.994  -5.040  1.00  2.47           H  
HETATM  163  HF2 B3K A   9       1.769  -8.301  -5.509  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9       1.577  -8.960  -7.823  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9       1.457 -10.586  -7.374  1.00  3.36           H  
HETATM  166  HB1 B3K A   9       0.334  -8.737  -2.041  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.774  -7.367  -1.031  1.00  0.45           H  
ATOM    168  N   ARG A  10      -1.075  -7.562   0.608  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -1.969  -7.862   1.717  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.340  -7.240   1.486  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.364  -7.918   1.554  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -1.390  -7.332   3.033  1.00  0.54           C  
ATOM    173  CG  ARG A  10      -0.037  -7.920   3.409  1.00  0.96           C  
ATOM    174  CD  ARG A  10       0.499  -7.292   4.685  1.00  1.33           C  
ATOM    175  NE  ARG A  10       1.852  -7.750   5.005  1.00  1.88           N  
ATOM    176  CZ  ARG A  10       2.587  -7.259   6.002  1.00  2.80           C  
ATOM    177  NH1 ARG A  10       2.092  -6.317   6.795  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10       3.812  -7.719   6.210  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.487  -6.781   0.672  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -2.076  -8.933   1.782  1.00  0.53           H  
ATOM    181  HB2 ARG A  10      -1.279  -6.261   2.957  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -2.084  -7.552   3.830  1.00  1.03           H  
ATOM    183  HG2 ARG A  10      -0.147  -8.984   3.560  1.00  1.46           H  
ATOM    184  HG3 ARG A  10       0.662  -7.738   2.606  1.00  1.60           H  
ATOM    185  HD2 ARG A  10       0.513  -6.219   4.562  1.00  1.90           H  
ATOM    186  HD3 ARG A  10      -0.160  -7.550   5.501  1.00  1.74           H  
ATOM    187  HE  ARG A  10       2.238  -8.459   4.439  1.00  2.07           H  
ATOM    188 HH11 ARG A  10       2.646  -5.946   7.547  1.00  4.18           H  
ATOM    189 HH12 ARG A  10       1.161  -5.973   6.650  1.00  3.23           H  
ATOM    190 HH21 ARG A  10       4.370  -7.354   6.959  1.00  4.28           H  
ATOM    191 HH22 ARG A  10       4.188  -8.439   5.615  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.344  -5.951   1.172  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.575  -5.180   1.079  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.200  -5.301  -0.308  1.00  0.33           C  
ATOM    195  O   TYR A  11      -5.821  -4.359  -0.805  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -4.289  -3.712   1.398  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -3.728  -3.480   2.785  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.480  -3.766   3.916  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.450  -2.964   2.961  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -3.975  -3.545   5.183  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -1.937  -2.742   4.223  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -2.704  -3.034   5.331  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -2.192  -2.815   6.592  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.491  -5.504   0.978  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.267  -5.569   1.810  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.574  -3.331   0.685  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -5.204  -3.151   1.313  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.475  -4.168   3.795  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -1.849  -2.737   2.091  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -4.575  -3.776   6.050  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -0.943  -2.340   4.337  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -1.695  -1.985   6.597  1.00  1.30           H  
HETATM  213  N   AIB A  12      -5.061  -6.483  -0.902  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.546  -6.764  -2.260  1.00  0.54           C  
HETATM  215  C   AIB A  12      -7.044  -6.445  -2.380  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.513  -6.008  -3.432  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -5.311  -8.226  -2.583  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -4.763  -5.949  -3.269  1.00  0.69           C  
HETATM  219  H   AIB A  12      -4.608  -7.198  -0.407  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -5.628  -8.428  -3.595  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -5.879  -8.841  -1.899  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -4.260  -8.454  -2.483  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -5.118  -6.172  -4.264  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -3.714  -6.195  -3.196  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -4.901  -4.898  -3.065  1.00  1.24           H  
ATOM    226  N   GLY A  13      -7.787  -6.664  -1.305  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.222  -6.454  -1.342  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.626  -5.060  -0.903  1.00  0.45           C  
ATOM    229  O   GLY A  13     -10.814  -4.753  -0.796  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.359  -6.970  -0.479  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.571  -6.616  -2.349  1.00  0.50           H  
ATOM    232  HA3 GLY A  13      -9.691  -7.173  -0.691  1.00  0.55           H  
ATOM    233  N   CYS A  14      -8.642  -4.216  -0.653  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -8.892  -2.855  -0.208  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.508  -1.868  -1.298  1.00  0.27           C  
ATOM    236  O   CYS A  14      -7.951  -2.253  -2.328  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -8.073  -2.562   1.051  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -8.356  -3.722   2.428  1.00  0.86           S  
ATOM    239  H   CYS A  14      -7.714  -4.512  -0.777  1.00  0.27           H  
ATOM    240  HA  CYS A  14      -9.943  -2.754   0.013  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -7.025  -2.602   0.801  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -8.312  -1.570   1.404  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.828  -0.602  -1.078  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -8.341   0.466  -1.934  1.00  0.34           C  
ATOM    245  C   GLU A  15      -6.937   0.833  -1.480  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.766   1.383  -0.396  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -9.249   1.702  -1.861  1.00  0.45           C  
ATOM    248  CG  GLU A  15     -10.580   1.555  -2.584  1.00  0.46           C  
ATOM    249  CD  GLU A  15     -11.434   0.434  -2.037  1.00  1.31           C  
ATOM    250  OE1 GLU A  15     -12.104   0.641  -1.003  1.00  2.00           O  
ATOM    251  OE2 GLU A  15     -11.441  -0.657  -2.641  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.408  -0.377  -0.315  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -8.307   0.100  -2.948  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -9.454   1.920  -0.824  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.723   2.541  -2.293  1.00  0.59           H  
ATOM    256  HG2 GLU A  15     -11.127   2.479  -2.486  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -10.386   1.365  -3.629  1.00  0.96           H  
HETATM  258  N   MVA A  16      -5.911   0.541  -2.283  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -6.171   0.097  -3.672  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.532   0.715  -1.801  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.959  -0.595  -1.184  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -4.001  -1.759  -2.164  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -2.539  -0.367  -0.682  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.586   1.251  -2.877  1.00  0.33           C  
HETATM  265  O   MVA A  16      -3.254   0.581  -3.859  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -6.787   0.827  -4.174  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -6.680  -0.856  -3.656  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -5.235  -0.005  -4.199  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.538   1.448  -1.004  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -4.571  -0.858  -0.334  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -3.558  -2.631  -1.708  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -3.452  -1.498  -3.054  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -5.027  -1.972  -2.423  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -1.888  -0.169  -1.521  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -2.196  -1.247  -0.157  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -2.526   0.480  -0.012  1.00  1.04           H  
ATOM    277  N   ARG A  17      -3.157   2.480  -2.667  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -2.248   3.146  -3.574  1.00  0.46           C  
ATOM    279  C   ARG A  17      -0.944   3.435  -2.855  1.00  0.44           C  
ATOM    280  O   ARG A  17      -0.895   4.251  -1.935  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -2.863   4.447  -4.087  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -4.216   4.261  -4.754  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -4.795   5.585  -5.224  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -4.905   6.554  -4.134  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -6.035   7.174  -3.787  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -7.167   6.933  -4.436  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -6.028   8.043  -2.789  1.00  3.60           N  
ATOM    288  H   ARG A  17      -3.448   2.951  -1.856  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -2.056   2.486  -4.405  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -2.985   5.124  -3.256  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -2.190   4.890  -4.805  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -4.099   3.607  -5.605  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -4.896   3.812  -4.044  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -4.155   5.992  -5.993  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -5.777   5.406  -5.634  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -4.080   6.762  -3.634  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -7.186   6.281  -5.198  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -8.011   7.408  -4.167  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -6.875   8.513  -2.522  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -5.176   8.243  -2.300  1.00  3.84           H  
ATOM    301  N   CYS A  18       0.098   2.740  -3.251  1.00  0.49           N  
ATOM    302  CA  CYS A  18       1.402   2.926  -2.649  1.00  0.49           C  
ATOM    303  C   CYS A  18       2.281   3.781  -3.546  1.00  0.50           C  
ATOM    304  O   CYS A  18       2.264   3.639  -4.770  1.00  0.67           O  
ATOM    305  CB  CYS A  18       2.053   1.572  -2.375  1.00  0.62           C  
ATOM    306  SG  CYS A  18       1.959   0.405  -3.771  1.00  1.54           S  
ATOM    307  H   CYS A  18      -0.006   2.087  -3.976  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.257   3.439  -1.710  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       3.097   1.721  -2.141  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       1.560   1.113  -1.532  1.00  1.05           H  
ATOM    311  N   ASP A  19       3.034   4.683  -2.939  1.00  0.47           N  
ATOM    312  CA  ASP A  19       3.894   5.586  -3.685  1.00  0.61           C  
ATOM    313  C   ASP A  19       5.220   5.761  -2.958  1.00  0.55           C  
ATOM    314  O   ASP A  19       5.392   6.698  -2.180  1.00  0.58           O  
ATOM    315  CB  ASP A  19       3.204   6.940  -3.869  1.00  0.81           C  
ATOM    316  CG  ASP A  19       3.991   7.879  -4.760  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       4.540   8.875  -4.242  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       4.077   7.625  -5.978  1.00  1.37           O1-
ATOM    319  H   ASP A  19       3.017   4.743  -1.956  1.00  0.47           H  
ATOM    320  HA  ASP A  19       4.079   5.147  -4.652  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       2.233   6.783  -4.313  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       3.082   7.407  -2.903  1.00  0.85           H  
HETATM  323  N   DPR A  20       6.176   4.851  -3.198  1.00  0.55           N  
HETATM  324  CA  DPR A  20       7.468   4.860  -2.505  1.00  0.55           C  
HETATM  325  CB  DPR A  20       8.224   3.674  -3.105  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.521   3.366  -4.381  1.00  0.78           C  
HETATM  327  CD  DPR A  20       6.086   3.748  -4.167  1.00  0.65           C  
HETATM  328  C   DPR A  20       7.293   4.676  -0.999  1.00  0.42           C  
HETATM  329  O   DPR A  20       6.829   3.630  -0.544  1.00  0.42           O  
HETATM  330  HA  DPR A  20       8.017   5.767  -2.698  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       8.183   2.840  -2.421  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       9.252   3.954  -3.279  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       7.600   2.311  -4.598  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       7.948   3.948  -5.183  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.530   2.920  -3.757  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       5.645   4.082  -5.093  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.662   5.694  -0.211  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.497   5.669   1.243  1.00  0.50           C  
ATOM    339  C   PRO A  21       6.059   5.953   1.679  1.00  0.49           C  
ATOM    340  O   PRO A  21       5.729   5.863   2.862  1.00  0.54           O  
ATOM    341  CB  PRO A  21       8.428   6.784   1.713  1.00  0.65           C  
ATOM    342  CG  PRO A  21       8.445   7.757   0.584  1.00  0.69           C  
ATOM    343  CD  PRO A  21       8.300   6.941  -0.674  1.00  0.58           C  
ATOM    344  HA  PRO A  21       7.820   4.727   1.659  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       8.035   7.229   2.616  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       9.413   6.383   1.902  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       7.620   8.445   0.680  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       9.382   8.292   0.575  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       7.670   7.453  -1.384  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       9.269   6.738  -1.105  1.00  0.59           H  
ATOM    351  N   ARG A  22       5.206   6.288   0.721  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.826   6.645   1.018  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.885   5.477   0.764  1.00  0.39           C  
ATOM    354  O   ARG A  22       3.061   4.721  -0.194  1.00  0.44           O  
ATOM    355  CB  ARG A  22       3.399   7.852   0.185  1.00  0.67           C  
ATOM    356  CG  ARG A  22       4.121   9.135   0.559  1.00  0.83           C  
ATOM    357  CD  ARG A  22       3.808   9.548   1.988  1.00  0.97           C  
ATOM    358  NE  ARG A  22       4.529  10.752   2.385  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       4.567  11.215   3.631  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       3.917  10.580   4.598  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22       5.254  12.315   3.909  1.00  3.38           N  
ATOM    362  H   ARG A  22       5.510   6.289  -0.214  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.773   6.904   2.064  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       3.598   7.645  -0.855  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       2.339   8.009   0.315  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       5.185   8.979   0.464  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       3.808   9.923  -0.110  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       2.747   9.732   2.072  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       4.086   8.741   2.651  1.00  1.53           H  
ATOM    370  HE  ARG A  22       5.019  11.242   1.679  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       3.947  10.928   5.538  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       3.394   9.750   4.393  1.00  1.29           H  
ATOM    373 HH21 ARG A  22       5.285  12.666   4.848  1.00  3.77           H  
ATOM    374 HH22 ARG A  22       5.751  12.801   3.181  1.00  3.90           H  
ATOM    375  N   TYR A  23       1.892   5.337   1.631  1.00  0.40           N  
ATOM    376  CA  TYR A  23       0.912   4.267   1.524  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.488   4.800   1.795  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.769   5.308   2.882  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.220   3.148   2.521  1.00  0.55           C  
ATOM    380  CG  TYR A  23       2.620   2.599   2.417  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       3.590   2.938   3.348  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       2.971   1.744   1.381  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       4.873   2.441   3.250  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       4.250   1.242   1.277  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       5.196   1.583   2.240  1.00  0.66           C  
ATOM    386  OH  TYR A  23       6.478   1.101   2.108  1.00  0.74           O  
ATOM    387  H   TYR A  23       1.812   5.981   2.370  1.00  0.52           H  
ATOM    388  HA  TYR A  23       0.954   3.870   0.521  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.088   3.526   3.523  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       0.530   2.332   2.356  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       3.329   3.600   4.160  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       2.224   1.471   0.650  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       5.614   2.717   3.983  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       4.504   0.578   0.464  1.00  0.70           H  
ATOM    395  HH  TYR A  23       6.805   1.252   1.210  1.00  1.09           H  
ATOM    396  N   GLU A  24      -1.360   4.688   0.811  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.747   5.087   0.972  1.00  0.23           C  
ATOM    398  C   GLU A  24      -3.639   3.849   0.908  1.00  0.27           C  
ATOM    399  O   GLU A  24      -3.747   3.223  -0.141  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -3.134   6.082  -0.125  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -4.475   6.757   0.103  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -4.516   7.543   1.397  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -5.415   7.288   2.221  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -3.642   8.413   1.599  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -1.065   4.327  -0.055  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.853   5.557   1.936  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -2.375   6.848  -0.185  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -3.178   5.559  -1.066  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -4.670   7.432  -0.717  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -5.243   5.999   0.135  1.00  1.43           H  
HETATM  411  N   MVA A  25      -4.289   3.468   2.021  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.251   4.342   3.216  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -5.065   2.208   2.032  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -4.231   1.007   2.566  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -3.666   1.259   3.956  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -5.071  -0.259   2.560  1.00  0.36           C  
HETATM  417  C   MVA A  25      -6.384   2.306   2.808  1.00  0.32           C  
HETATM  418  O   MVA A  25      -6.424   2.594   4.006  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -3.236   4.424   3.572  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -4.873   3.916   3.991  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -4.621   5.322   2.957  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -5.330   1.963   1.011  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -3.399   0.855   1.895  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -3.112   0.391   4.283  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -4.476   1.450   4.645  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -3.008   2.115   3.928  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -5.924  -0.128   3.208  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -4.475  -1.089   2.913  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -5.411  -0.462   1.556  1.00  1.18           H  
ATOM    430  N   HIS A  26      -7.472   2.046   2.098  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -8.809   2.114   2.667  1.00  0.48           C  
ATOM    432  C   HIS A  26      -9.513   0.772   2.507  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.741   0.312   1.388  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.628   3.213   1.979  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -9.053   4.590   2.122  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -9.629   5.570   2.896  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -7.944   5.147   1.582  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -8.899   6.666   2.827  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -7.868   6.437   2.037  1.00  0.77           N  
ATOM    440  H   HIS A  26      -7.370   1.785   1.154  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -8.717   2.342   3.718  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.697   2.992   0.925  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.620   3.222   2.401  1.00  0.67           H  
ATOM    444  HD1 HIS A  26     -10.458   5.480   3.420  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -7.247   4.663   0.913  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -9.110   7.596   3.331  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -7.043   6.987   2.023  1.00  0.91           H  
ATOM    448  N   CYS A  27      -9.836   0.140   3.621  1.00  0.63           N  
ATOM    449  CA  CYS A  27     -10.528  -1.140   3.599  1.00  0.72           C  
ATOM    450  C   CYS A  27     -11.986  -0.964   3.997  1.00  1.07           C  
ATOM    451  O   CYS A  27     -12.376  -1.243   5.130  1.00  1.52           O  
ATOM    452  CB  CYS A  27      -9.850  -2.134   4.539  1.00  0.83           C  
ATOM    453  SG  CYS A  27      -8.136  -2.562   4.079  1.00  1.10           S  
ATOM    454  H   CYS A  27      -9.607   0.543   4.485  1.00  0.68           H  
ATOM    455  HA  CYS A  27     -10.484  -1.523   2.590  1.00  0.61           H  
ATOM    456  HB2 CYS A  27      -9.826  -1.716   5.531  1.00  1.38           H  
ATOM    457  HB3 CYS A  27     -10.424  -3.048   4.554  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -12.798  -0.509   3.062  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -12.421  -0.304   2.178  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -13.743  -0.396   3.286  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
MODEL        3                                                                  
ATOM      1  N   ASN A   1      13.712  -5.442  -0.649  1.00  2.83           N  
ATOM      2  CA  ASN A   1      12.391  -6.070  -0.422  1.00  2.53           C  
ATOM      3  C   ASN A   1      11.327  -5.309  -1.197  1.00  1.75           C  
ATOM      4  O   ASN A   1      11.387  -4.086  -1.301  1.00  1.89           O  
ATOM      5  CB  ASN A   1      12.049  -6.080   1.073  1.00  3.29           C  
ATOM      6  CG  ASN A   1      13.088  -6.808   1.910  1.00  4.23           C  
ATOM      7  OD1 ASN A   1      14.273  -6.833   1.576  1.00  4.58           O  
ATOM      8  ND2 ASN A   1      12.651  -7.407   3.005  1.00  4.97           N  
ATOM      9  H1  ASN A   1      14.446  -5.948  -0.113  1.00  3.33           H  
ATOM     10  H2  ASN A   1      13.694  -4.449  -0.342  1.00  3.20           H  
ATOM     11  H3  ASN A   1      13.953  -5.473  -1.660  1.00  2.74           H  
ATOM     12  HA  ASN A   1      12.432  -7.086  -0.786  1.00  2.86           H  
ATOM     13  HB2 ASN A   1      11.983  -5.061   1.426  1.00  3.24           H  
ATOM     14  HB3 ASN A   1      11.095  -6.566   1.214  1.00  3.69           H  
ATOM     15 HD21 ASN A   1      11.694  -7.351   3.217  1.00  4.96           H  
ATOM     16 HD22 ASN A   1      13.304  -7.876   3.567  1.00  5.67           H  
ATOM     17  N   ASP A   2      10.348  -6.028  -1.736  1.00  1.32           N  
ATOM     18  CA  ASP A   2       9.343  -5.423  -2.609  1.00  0.96           C  
ATOM     19  C   ASP A   2       8.080  -5.040  -1.852  1.00  0.74           C  
ATOM     20  O   ASP A   2       6.970  -5.201  -2.364  1.00  0.80           O  
ATOM     21  CB  ASP A   2       8.974  -6.370  -3.755  1.00  1.49           C  
ATOM     22  CG  ASP A   2      10.004  -6.384  -4.863  1.00  2.21           C  
ATOM     23  OD1 ASP A   2       9.975  -5.479  -5.722  1.00  2.88           O  
ATOM     24  OD2 ASP A   2      10.859  -7.294  -4.876  1.00  2.65           O1-
ATOM     25  H   ASP A   2      10.295  -6.990  -1.540  1.00  1.67           H  
ATOM     26  HA  ASP A   2       9.773  -4.527  -3.029  1.00  1.19           H  
ATOM     27  HB2 ASP A   2       8.879  -7.374  -3.368  1.00  1.81           H  
ATOM     28  HB3 ASP A   2       8.028  -6.062  -4.172  1.00  2.06           H  
HETATM   29  N   B3K A   3       8.234  -4.508  -0.650  1.00  0.63           N  
HETATM   30  CA  B3K A   3       7.078  -4.107   0.125  1.00  0.56           C  
HETATM   31  CG  B3K A   3       7.273  -4.420   1.612  1.00  0.70           C  
HETATM   32  CD  B3K A   3       7.408  -5.905   1.913  1.00  0.81           C  
HETATM   33  CE  B3K A   3       7.416  -6.172   3.410  1.00  1.07           C  
HETATM   34  CF  B3K A   3       7.539  -7.657   3.710  1.00  1.41           C  
HETATM   35  NZ  B3K A   3       7.467  -7.937   5.168  1.00  1.88           N  
HETATM   36  CB  B3K A   3       6.809  -2.613  -0.019  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.456  -2.345  -0.633  1.00  0.52           C  
HETATM   38  O   B3K A   3       4.413  -2.652  -0.043  1.00  0.53           O  
HETATM   39  H   B3K A   3       9.134  -4.371  -0.293  1.00  0.74           H  
HETATM   40  HA  B3K A   3       6.227  -4.661  -0.281  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       6.425  -4.039   2.161  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       8.166  -3.923   1.959  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       8.331  -6.267   1.485  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       6.574  -6.427   1.469  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       6.497  -5.802   3.838  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       8.255  -5.655   3.853  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       8.486  -8.010   3.330  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       6.737  -8.179   3.212  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3       6.540  -7.655   5.545  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3       8.207  -7.410   5.675  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       6.840  -2.154   0.958  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       7.567  -2.169  -0.649  1.00  0.56           H  
ATOM     53  N   CYS A   4       5.472  -1.790  -1.839  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.247  -1.525  -2.567  1.00  0.57           C  
ATOM     55  C   CYS A   4       3.631  -2.834  -3.039  1.00  0.56           C  
ATOM     56  O   CYS A   4       2.443  -3.073  -2.829  1.00  0.78           O  
ATOM     57  CB  CYS A   4       4.511  -0.611  -3.769  1.00  0.62           C  
ATOM     58  SG  CYS A   4       5.390   0.934  -3.368  1.00  1.29           S  
ATOM     59  H   CYS A   4       6.333  -1.556  -2.252  1.00  0.55           H  
ATOM     60  HA  CYS A   4       3.558  -1.039  -1.894  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       5.105  -1.145  -4.495  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       3.566  -0.343  -4.216  1.00  1.09           H  
ATOM     63  N   LYS A   5       4.455  -3.691  -3.651  1.00  0.45           N  
ATOM     64  CA  LYS A   5       3.976  -4.956  -4.198  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.419  -5.839  -3.095  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.221  -6.110  -3.052  1.00  0.35           O  
ATOM     67  CB  LYS A   5       5.095  -5.704  -4.929  1.00  0.57           C  
ATOM     68  CG  LYS A   5       5.741  -4.916  -6.055  1.00  0.70           C  
ATOM     69  CD  LYS A   5       6.693  -5.793  -6.854  1.00  1.19           C  
ATOM     70  CE  LYS A   5       7.443  -5.000  -7.911  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       8.370  -4.010  -7.305  1.00  2.67           N1+
ATOM     72  H   LYS A   5       5.407  -3.472  -3.721  1.00  0.48           H  
ATOM     73  HA  LYS A   5       3.185  -4.736  -4.900  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       5.863  -5.961  -4.217  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       4.688  -6.612  -5.346  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       4.970  -4.541  -6.713  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       6.294  -4.089  -5.634  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       7.409  -6.236  -6.180  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       6.125  -6.573  -7.340  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       8.012  -5.686  -8.521  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       6.726  -4.480  -8.527  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5       7.839  -3.330  -6.726  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5       8.874  -3.489  -8.050  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5       9.070  -4.496  -6.698  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.286  -6.276  -2.194  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.862  -7.117  -1.104  1.00  0.30           C  
HETATM   87  CG  B3E A   6       4.832  -8.294  -0.966  1.00  0.49           C  
HETATM   88  CD  B3E A   6       4.979  -9.114  -2.236  1.00  0.97           C  
HETATM   89  CE  B3E A   6       6.108 -10.116  -2.149  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       7.266  -9.731  -2.410  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       5.844 -11.294  -1.827  1.00  1.43           O  
HETATM   92  CB  B3E A   6       3.893  -6.358   0.217  1.00  0.35           C  
HETATM   93  C   B3E A   6       2.530  -5.934   0.692  1.00  0.38           C  
HETATM   94  O   B3E A   6       1.662  -6.763   1.014  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.234  -6.017  -2.269  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.831  -7.440  -1.332  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       4.477  -8.945  -0.182  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       5.805  -7.914  -0.692  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       5.173  -8.445  -3.062  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       4.058  -9.646  -2.414  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       4.332  -6.993   0.971  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.499  -5.474   0.102  1.00  0.37           H  
ATOM    103  N   LEU A   7       2.328  -4.622   0.722  1.00  0.40           N  
ATOM    104  CA  LEU A   7       1.084  -4.063   1.203  1.00  0.51           C  
ATOM    105  C   LEU A   7      -0.036  -4.262   0.191  1.00  0.54           C  
ATOM    106  O   LEU A   7      -1.154  -4.586   0.582  1.00  0.63           O  
ATOM    107  CB  LEU A   7       1.255  -2.584   1.547  1.00  0.62           C  
ATOM    108  CG  LEU A   7       2.256  -2.298   2.674  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       2.321  -0.811   2.962  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       1.889  -3.065   3.938  1.00  0.89           C  
ATOM    111  H   LEU A   7       3.041  -4.014   0.411  1.00  0.37           H  
ATOM    112  HA  LEU A   7       0.819  -4.596   2.102  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       1.584  -2.064   0.660  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       0.295  -2.190   1.841  1.00  0.77           H  
ATOM    115  HG  LEU A   7       3.238  -2.619   2.361  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       2.666  -0.290   2.082  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       3.004  -0.633   3.779  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       1.337  -0.454   3.231  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       0.872  -2.833   4.218  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       2.556  -2.778   4.737  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       1.980  -4.126   3.756  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.256  -4.094  -1.105  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.756  -4.330  -2.131  1.00  0.62           C  
ATOM    124  C   LYS A   8      -1.290  -5.750  -2.012  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.439  -5.951  -1.639  1.00  0.75           O  
ATOM    126  CB  LYS A   8      -0.207  -4.081  -3.541  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -1.198  -4.387  -4.657  1.00  0.90           C  
ATOM    128  CD  LYS A   8      -2.500  -3.622  -4.482  1.00  1.14           C  
ATOM    129  CE  LYS A   8      -3.492  -3.933  -5.593  1.00  1.72           C  
ATOM    130  NZ  LYS A   8      -3.030  -3.427  -6.912  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.159  -3.811  -1.372  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -1.568  -3.644  -1.946  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.085  -3.044  -3.623  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       0.667  -4.700  -3.687  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -0.756  -4.109  -5.603  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -1.410  -5.446  -4.655  1.00  1.35           H  
ATOM    137  HD2 LYS A   8      -2.941  -3.895  -3.536  1.00  1.64           H  
ATOM    138  HD3 LYS A   8      -2.287  -2.563  -4.490  1.00  1.57           H  
ATOM    139  HE2 LYS A   8      -3.619  -5.003  -5.654  1.00  2.39           H  
ATOM    140  HE3 LYS A   8      -4.438  -3.473  -5.350  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8      -2.105  -3.833  -7.149  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8      -2.946  -2.392  -6.889  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8      -3.711  -3.689  -7.654  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.451  -6.733  -2.300  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -0.870  -8.103  -2.189  1.00  0.57           C  
HETATM  146  CG  B3K A   9      -0.387  -8.900  -3.412  1.00  0.76           C  
HETATM  147  CD  B3K A   9       1.129  -8.990  -3.533  1.00  1.37           C  
HETATM  148  CE  B3K A   9       1.553  -9.683  -4.818  1.00  1.57           C  
HETATM  149  CF  B3K A   9       1.013 -11.102  -4.901  1.00  2.17           C  
HETATM  150  NZ  B3K A   9       1.432 -11.777  -6.154  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.272  -8.755  -0.944  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.268  -8.897   0.176  1.00  0.43           C  
HETATM  153  O   B3K A   9      -2.096  -9.810   0.187  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.467  -6.521  -2.585  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -1.971  -8.086  -2.106  1.00  0.62           H  
HETATM  156  HG2 B3K A   9      -0.770  -8.429  -4.305  1.00  1.17           H  
HETATM  157  HG3 B3K A   9      -0.780  -9.903  -3.349  1.00  1.48           H  
HETATM  158  HD2 B3K A   9       1.514  -9.546  -2.691  1.00  2.13           H  
HETATM  159  HD3 B3K A   9       1.540  -7.991  -3.523  1.00  1.86           H  
HETATM  160  HE2 B3K A   9       2.632  -9.715  -4.858  1.00  2.04           H  
HETATM  161  HE3 B3K A   9       1.179  -9.119  -5.657  1.00  1.90           H  
HETATM  162  HF1 B3K A   9      -0.066 -11.066  -4.864  1.00  2.47           H  
HETATM  163  HF2 B3K A   9       1.383 -11.665  -4.057  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9       1.029 -12.734  -6.199  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9       2.468 -11.851  -6.196  1.00  3.36           H  
HETATM  166  HB1 B3K A   9       0.088  -9.738  -1.203  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.554  -8.155  -0.590  1.00  0.45           H  
ATOM    168  N   ARG A  10      -1.188  -7.974   1.129  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -2.092  -7.971   2.273  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.425  -7.306   1.934  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.491  -7.868   2.193  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -1.447  -7.254   3.464  1.00  0.54           C  
ATOM    173  CG  ARG A  10      -0.222  -7.961   4.021  1.00  0.96           C  
ATOM    174  CD  ARG A  10       0.345  -7.227   5.224  1.00  1.33           C  
ATOM    175  NE  ARG A  10       1.488  -7.930   5.801  1.00  1.88           N  
ATOM    176  CZ  ARG A  10       2.297  -7.411   6.724  1.00  2.80           C  
ATOM    177  NH1 ARG A  10       2.091  -6.181   7.180  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10       3.314  -8.125   7.188  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.491  -7.278   1.063  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -2.280  -8.997   2.544  1.00  0.53           H  
ATOM    181  HB2 ARG A  10      -1.152  -6.262   3.154  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -2.175  -7.171   4.253  1.00  1.03           H  
ATOM    183  HG2 ARG A  10      -0.499  -8.960   4.321  1.00  1.46           H  
ATOM    184  HG3 ARG A  10       0.535  -8.011   3.253  1.00  1.60           H  
ATOM    185  HD2 ARG A  10       0.659  -6.240   4.914  1.00  1.90           H  
ATOM    186  HD3 ARG A  10      -0.428  -7.138   5.973  1.00  1.74           H  
ATOM    187  HE  ARG A  10       1.665  -8.844   5.476  1.00  2.07           H  
ATOM    188 HH11 ARG A  10       2.704  -5.794   7.873  1.00  4.18           H  
ATOM    189 HH12 ARG A  10       1.327  -5.633   6.833  1.00  3.23           H  
ATOM    190 HH21 ARG A  10       3.926  -7.739   7.882  1.00  4.28           H  
ATOM    191 HH22 ARG A  10       3.481  -9.053   6.842  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.358  -6.128   1.328  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.542  -5.309   1.085  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.187  -5.636  -0.262  1.00  0.33           C  
ATOM    195  O   TYR A  11      -5.704  -4.748  -0.945  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -4.168  -3.828   1.129  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -3.705  -3.339   2.483  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.554  -3.357   3.581  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.422  -2.838   2.656  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -4.139  -2.887   4.812  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -1.997  -2.373   3.883  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -2.859  -2.398   4.957  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -2.438  -1.926   6.181  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.486  -5.799   1.018  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.251  -5.514   1.872  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.369  -3.649   0.427  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -5.024  -3.242   0.840  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.554  -3.745   3.464  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -1.748  -2.819   1.812  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -4.814  -2.909   5.654  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -0.995  -1.989   3.997  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -1.939  -1.109   6.051  1.00  1.30           H  
HETATM  213  N   AIB A  12      -5.178  -6.920  -0.611  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.740  -7.414  -1.879  1.00  0.54           C  
HETATM  215  C   AIB A  12      -7.180  -6.918  -2.065  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.586  -6.564  -3.174  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -5.724  -8.929  -1.876  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -4.890  -6.959  -3.046  1.00  0.69           C  
HETATM  219  H   AIB A  12      -4.772  -7.564   0.005  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -6.122  -9.295  -2.810  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -6.330  -9.294  -1.059  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -4.710  -9.278  -1.758  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -5.304  -7.346  -3.966  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -3.882  -7.325  -2.922  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -4.879  -5.880  -3.083  1.00  1.24           H  
ATOM    226  N   GLY A  13      -7.944  -6.888  -0.984  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.336  -6.499  -1.079  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.579  -5.059  -0.679  1.00  0.45           C  
ATOM    229  O   GLY A  13     -10.720  -4.665  -0.437  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.561  -7.131  -0.114  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.664  -6.637  -2.097  1.00  0.50           H  
ATOM    232  HA3 GLY A  13      -9.918  -7.141  -0.437  1.00  0.55           H  
ATOM    233  N   CYS A  14      -8.519  -4.272  -0.610  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -8.635  -2.868  -0.241  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.028  -1.980  -1.317  1.00  0.27           C  
ATOM    236  O   CYS A  14      -7.212  -2.431  -2.123  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -7.928  -2.607   1.089  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -8.536  -3.608   2.486  1.00  0.86           S  
ATOM    239  H   CYS A  14      -7.630  -4.639  -0.816  1.00  0.27           H  
ATOM    240  HA  CYS A  14      -9.682  -2.634  -0.139  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -6.880  -2.817   0.971  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -8.050  -1.567   1.353  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.436  -0.720  -1.331  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -7.880   0.251  -2.258  1.00  0.34           C  
ATOM    245  C   GLU A  15      -6.572   0.796  -1.695  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.570   1.408  -0.631  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -8.870   1.395  -2.485  1.00  0.45           C  
ATOM    248  CG  GLU A  15     -10.170   0.951  -3.135  1.00  0.46           C  
ATOM    249  CD  GLU A  15      -9.959   0.358  -4.514  1.00  1.31           C  
ATOM    250  OE1 GLU A  15      -9.879   1.129  -5.492  1.00  2.00           O  
ATOM    251  OE2 GLU A  15      -9.872  -0.884  -4.628  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.123  -0.430  -0.687  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -7.687  -0.248  -3.194  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -9.106   1.848  -1.532  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.408   2.134  -3.120  1.00  0.59           H  
ATOM    256  HG2 GLU A  15     -10.634   0.205  -2.508  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -10.824   1.804  -3.222  1.00  0.96           H  
HETATM  258  N   MVA A  16      -5.441   0.610  -2.390  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -5.517   0.078  -3.771  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.140   0.981  -1.798  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.470  -0.219  -1.061  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -3.303  -1.430  -1.960  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -2.124   0.187  -0.473  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.160   1.589  -2.809  1.00  0.33           C  
HETATM  265  O   MVA A  16      -2.697   0.936  -3.750  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -4.545   0.144  -4.235  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -6.228   0.657  -4.341  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -5.832  -0.954  -3.743  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.311   1.740  -1.046  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -4.113  -0.506  -0.242  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -4.272  -1.761  -2.304  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -2.827  -2.223  -1.408  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -2.691  -1.165  -2.810  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -1.689  -0.654   0.046  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -2.263   1.004   0.220  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -1.464   0.500  -1.269  1.00  1.04           H  
ATOM    277  N   ARG A  17      -2.839   2.855  -2.588  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -1.898   3.567  -3.434  1.00  0.46           C  
ATOM    279  C   ARG A  17      -0.547   3.659  -2.747  1.00  0.44           C  
ATOM    280  O   ARG A  17      -0.451   4.093  -1.597  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -2.400   4.976  -3.751  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -3.718   5.009  -4.505  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -4.099   6.430  -4.895  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -4.296   7.303  -3.733  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -5.405   8.014  -3.511  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -6.428   7.945  -4.354  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -5.488   8.804  -2.448  1.00  3.60           N  
ATOM    288  H   ARG A  17      -3.232   3.317  -1.811  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -1.788   3.012  -4.353  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -2.529   5.515  -2.826  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -1.657   5.481  -4.348  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -3.622   4.412  -5.400  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -4.492   4.595  -3.876  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -3.311   6.842  -5.508  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -5.012   6.397  -5.467  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -3.549   7.374  -3.087  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -6.377   7.356  -5.165  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -7.261   8.476  -4.180  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -6.321   9.336  -2.281  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -4.711   8.876  -1.807  1.00  3.84           H  
ATOM    301  N   CYS A  18       0.492   3.247  -3.444  1.00  0.49           N  
ATOM    302  CA  CYS A  18       1.837   3.330  -2.907  1.00  0.49           C  
ATOM    303  C   CYS A  18       2.630   4.380  -3.667  1.00  0.50           C  
ATOM    304  O   CYS A  18       2.753   4.309  -4.891  1.00  0.67           O  
ATOM    305  CB  CYS A  18       2.541   1.977  -3.002  1.00  0.62           C  
ATOM    306  SG  CYS A  18       4.132   1.913  -2.112  1.00  1.54           S  
ATOM    307  H   CYS A  18       0.356   2.881  -4.344  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.765   3.622  -1.869  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       1.898   1.215  -2.587  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       2.735   1.755  -4.039  1.00  1.05           H  
ATOM    311  N   ASP A  19       3.151   5.361  -2.951  1.00  0.47           N  
ATOM    312  CA  ASP A  19       3.954   6.404  -3.566  1.00  0.61           C  
ATOM    313  C   ASP A  19       5.205   6.647  -2.737  1.00  0.55           C  
ATOM    314  O   ASP A  19       5.182   7.413  -1.769  1.00  0.58           O  
ATOM    315  CB  ASP A  19       3.151   7.700  -3.702  1.00  0.81           C  
ATOM    316  CG  ASP A  19       3.858   8.728  -4.565  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       4.555   9.601  -4.004  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       3.738   8.661  -5.807  1.00  1.37           O1-
ATOM    319  H   ASP A  19       3.000   5.383  -1.978  1.00  0.47           H  
ATOM    320  HA  ASP A  19       4.244   6.063  -4.548  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       2.192   7.478  -4.146  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       2.999   8.124  -2.720  1.00  0.85           H  
HETATM  323  N   DPR A  20       6.313   5.981  -3.094  1.00  0.55           N  
HETATM  324  CA  DPR A  20       7.566   6.069  -2.344  1.00  0.55           C  
HETATM  325  CB  DPR A  20       8.497   5.088  -3.061  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.919   4.931  -4.422  1.00  0.78           C  
HETATM  327  CD  DPR A  20       6.434   5.095  -4.264  1.00  0.65           C  
HETATM  328  C   DPR A  20       7.379   5.665  -0.882  1.00  0.42           C  
HETATM  329  O   DPR A  20       6.946   4.552  -0.585  1.00  0.42           O  
HETATM  330  HA  DPR A  20       7.989   7.057  -2.393  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       8.511   4.149  -2.530  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       9.494   5.500  -3.101  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       8.148   3.949  -4.807  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       8.313   5.692  -5.080  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.964   4.141  -4.075  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       6.013   5.558  -5.143  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.694   6.578   0.045  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.544   6.336   1.481  1.00  0.50           C  
ATOM    339  C   PRO A  21       6.104   6.491   1.962  1.00  0.49           C  
ATOM    340  O   PRO A  21       5.808   6.284   3.140  1.00  0.54           O  
ATOM    341  CB  PRO A  21       8.423   7.417   2.100  1.00  0.65           C  
ATOM    342  CG  PRO A  21       8.374   8.544   1.128  1.00  0.69           C  
ATOM    343  CD  PRO A  21       8.248   7.916  -0.235  1.00  0.58           C  
ATOM    344  HA  PRO A  21       7.915   5.363   1.758  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       8.020   7.705   3.061  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       9.428   7.045   2.222  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       7.515   9.166   1.332  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       9.281   9.124   1.191  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       7.574   8.488  -0.853  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       9.217   7.839  -0.705  1.00  0.59           H  
ATOM    351  N   ARG A  22       5.208   6.857   1.057  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.823   7.094   1.425  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.927   5.947   0.997  1.00  0.39           C  
ATOM    354  O   ARG A  22       3.077   5.389  -0.091  1.00  0.44           O  
ATOM    355  CB  ARG A  22       3.322   8.408   0.830  1.00  0.67           C  
ATOM    356  CG  ARG A  22       3.817   9.637   1.574  1.00  0.83           C  
ATOM    357  CD  ARG A  22       3.386   9.607   3.035  1.00  0.97           C  
ATOM    358  NE  ARG A  22       1.945   9.386   3.172  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       1.399   8.522   4.027  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       2.162   7.857   4.891  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22       0.084   8.335   4.025  1.00  3.38           N  
ATOM    362  H   ARG A  22       5.481   6.953   0.116  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.784   7.167   2.500  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       3.656   8.475  -0.196  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       2.244   8.409   0.849  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       4.895   9.665   1.526  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       3.410  10.519   1.105  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       3.914   8.811   3.538  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       3.642  10.552   3.493  1.00  1.53           H  
ATOM    370  HE  ARG A  22       1.352   9.894   2.571  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       1.749   7.205   5.535  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       3.153   8.015   4.917  1.00  1.29           H  
ATOM    373 HH21 ARG A  22      -0.338   7.687   4.665  1.00  3.77           H  
ATOM    374 HH22 ARG A  22      -0.495   8.843   3.376  1.00  3.90           H  
ATOM    375  N   TYR A  23       1.992   5.603   1.870  1.00  0.40           N  
ATOM    376  CA  TYR A  23       1.078   4.503   1.630  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.341   4.918   1.973  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.599   5.443   3.057  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.470   3.289   2.470  1.00  0.55           C  
ATOM    380  CG  TYR A  23       2.895   2.838   2.266  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       3.908   3.271   3.108  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       3.230   1.985   1.223  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       5.213   2.867   2.919  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       4.533   1.573   1.030  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       5.516   1.995   1.902  1.00  0.66           C  
ATOM    386  OH  TYR A  23       6.823   1.618   1.685  1.00  0.74           O  
ATOM    387  H   TYR A  23       1.906   6.114   2.701  1.00  0.52           H  
ATOM    388  HA  TYR A  23       1.130   4.244   0.584  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.347   3.530   3.515  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       0.819   2.463   2.219  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       3.661   3.933   3.925  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       2.451   1.636   0.561  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       5.986   3.214   3.588  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       4.772   0.908   0.213  1.00  0.70           H  
ATOM    395  HH  TYR A  23       7.231   1.431   2.542  1.00  1.09           H  
ATOM    396  N   GLU A  24      -1.250   4.689   1.046  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.651   5.016   1.241  1.00  0.23           C  
ATOM    398  C   GLU A  24      -3.492   3.758   1.109  1.00  0.27           C  
ATOM    399  O   GLU A  24      -3.327   3.014   0.149  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -3.105   6.037   0.203  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -2.376   7.363   0.286  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -2.741   8.280  -0.853  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -3.527   9.225  -0.633  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -2.233   8.077  -1.977  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -0.972   4.278   0.198  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.770   5.429   2.229  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -2.940   5.624  -0.781  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -4.160   6.219   0.332  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -2.637   7.846   1.217  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -1.313   7.180   0.259  1.00  1.43           H  
HETATM  411  N   MVA A  25      -4.412   3.500   2.047  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.633   4.475   3.137  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -5.216   2.267   1.976  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -4.469   1.054   2.594  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -4.029   1.317   4.027  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -5.338  -0.191   2.519  1.00  0.36           C  
HETATM  417  C   MVA A  25      -6.606   2.403   2.613  1.00  0.32           C  
HETATM  418  O   MVA A  25      -6.764   2.625   3.816  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -3.759   4.516   3.768  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -5.487   4.167   3.723  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -4.818   5.451   2.715  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -5.378   2.026   0.935  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -3.582   0.874   2.004  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -3.331   2.141   4.042  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -3.555   0.434   4.427  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -4.891   1.566   4.627  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -4.808  -1.027   2.949  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -5.573  -0.404   1.487  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -6.252  -0.024   3.068  1.00  1.18           H  
ATOM    430  N   HIS A  26      -7.616   2.246   1.772  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -9.000   2.327   2.198  1.00  0.48           C  
ATOM    432  C   HIS A  26      -9.669   0.970   2.028  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.785   0.461   0.911  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.760   3.379   1.385  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -9.161   4.756   1.441  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -9.315   5.604   2.514  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -8.406   5.430   0.541  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -8.685   6.737   2.272  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -8.124   6.658   1.082  1.00  0.77           N  
ATOM    440  H   HIS A  26      -7.420   2.048   0.830  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -9.017   2.602   3.242  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.781   3.071   0.350  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.770   3.443   1.754  1.00  0.67           H  
ATOM    444  HD1 HIS A  26      -9.823   5.410   3.335  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -8.086   5.069  -0.424  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -8.636   7.586   2.937  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -7.786   7.428   0.576  1.00  0.91           H  
ATOM    448  N   CYS A  27     -10.073   0.376   3.134  1.00  0.63           N  
ATOM    449  CA  CYS A  27     -10.770  -0.896   3.107  1.00  0.72           C  
ATOM    450  C   CYS A  27     -12.268  -0.673   3.261  1.00  1.07           C  
ATOM    451  O   CYS A  27     -12.799  -0.668   4.370  1.00  1.52           O  
ATOM    452  CB  CYS A  27     -10.264  -1.813   4.221  1.00  0.83           C  
ATOM    453  SG  CYS A  27      -8.518  -2.309   4.048  1.00  1.10           S  
ATOM    454  H   CYS A  27      -9.901   0.806   3.997  1.00  0.68           H  
ATOM    455  HA  CYS A  27     -10.578  -1.361   2.152  1.00  0.61           H  
ATOM    456  HB2 CYS A  27     -10.370  -1.307   5.167  1.00  1.38           H  
ATOM    457  HB3 CYS A  27     -10.862  -2.713   4.231  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -12.949  -0.474   2.149  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -12.462  -0.491   1.297  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -13.913  -0.326   2.216  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
MODEL        4                                                                  
ATOM      1  N   ASN A   1      12.277  -2.122  -4.559  1.00  2.83           N  
ATOM      2  CA  ASN A   1      11.109  -2.009  -3.661  1.00  2.53           C  
ATOM      3  C   ASN A   1      10.230  -3.246  -3.791  1.00  1.75           C  
ATOM      4  O   ASN A   1       9.598  -3.461  -4.827  1.00  1.89           O  
ATOM      5  CB  ASN A   1      10.299  -0.752  -4.002  1.00  3.29           C  
ATOM      6  CG  ASN A   1       9.151  -0.488  -3.037  1.00  4.23           C  
ATOM      7  OD1 ASN A   1       8.551  -1.406  -2.482  1.00  4.58           O  
ATOM      8  ND2 ASN A   1       8.838   0.779  -2.828  1.00  4.97           N  
ATOM      9  H1  ASN A   1      11.961  -2.222  -5.544  1.00  3.33           H  
ATOM     10  H2  ASN A   1      12.843  -2.955  -4.306  1.00  3.20           H  
ATOM     11  H3  ASN A   1      12.874  -1.277  -4.483  1.00  2.74           H  
ATOM     12  HA  ASN A   1      11.466  -1.937  -2.644  1.00  2.86           H  
ATOM     13  HB2 ASN A   1      10.957   0.103  -3.988  1.00  3.24           H  
ATOM     14  HB3 ASN A   1       9.889  -0.861  -4.995  1.00  3.69           H  
ATOM     15 HD21 ASN A   1       9.355   1.468  -3.297  1.00  4.96           H  
ATOM     16 HD22 ASN A   1       8.103   0.979  -2.208  1.00  5.67           H  
ATOM     17  N   ASP A   2      10.200  -4.062  -2.747  1.00  1.32           N  
ATOM     18  CA  ASP A   2       9.347  -5.244  -2.729  1.00  0.96           C  
ATOM     19  C   ASP A   2       8.181  -5.042  -1.772  1.00  0.74           C  
ATOM     20  O   ASP A   2       7.138  -5.693  -1.891  1.00  0.80           O  
ATOM     21  CB  ASP A   2      10.143  -6.494  -2.347  1.00  1.49           C  
ATOM     22  CG  ASP A   2      11.161  -6.869  -3.405  1.00  2.21           C  
ATOM     23  OD1 ASP A   2      10.753  -7.341  -4.488  1.00  2.88           O  
ATOM     24  OD2 ASP A   2      12.375  -6.693  -3.159  1.00  2.65           O1-
ATOM     25  H   ASP A   2      10.766  -3.865  -1.968  1.00  1.67           H  
ATOM     26  HA  ASP A   2       8.954  -5.372  -3.724  1.00  1.19           H  
ATOM     27  HB2 ASP A   2      10.665  -6.315  -1.418  1.00  1.81           H  
ATOM     28  HB3 ASP A   2       9.462  -7.322  -2.220  1.00  2.06           H  
HETATM   29  N   B3K A   3       8.360  -4.138  -0.821  1.00  0.63           N  
HETATM   30  CA  B3K A   3       7.319  -3.836   0.130  1.00  0.56           C  
HETATM   31  CG  B3K A   3       7.810  -4.121   1.555  1.00  0.70           C  
HETATM   32  CD  B3K A   3       8.242  -5.560   1.778  1.00  0.81           C  
HETATM   33  CE  B3K A   3       8.725  -5.777   3.201  1.00  1.07           C  
HETATM   34  CF  B3K A   3       9.175  -7.210   3.427  1.00  1.41           C  
HETATM   35  NZ  B3K A   3      10.320  -7.582   2.555  1.00  1.88           N  
HETATM   36  CB  B3K A   3       6.939  -2.358   0.070  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.627  -2.127  -0.625  1.00  0.52           C  
HETATM   38  O   B3K A   3       4.556  -2.384  -0.076  1.00  0.53           O  
HETATM   39  H   B3K A   3       9.215  -3.664  -0.766  1.00  0.74           H  
HETATM   40  HA  B3K A   3       6.451  -4.458  -0.147  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       7.014  -3.896   2.250  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       8.652  -3.479   1.768  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       9.045  -5.795   1.095  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       7.402  -6.211   1.590  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       7.919  -5.549   3.883  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       9.557  -5.115   3.391  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       8.346  -7.870   3.216  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       9.470  -7.324   4.458  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3      11.123  -6.945   2.728  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3      10.047  -7.517   1.555  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       6.863  -1.975   1.077  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       7.705  -1.813  -0.463  1.00  0.56           H  
ATOM     53  N   CYS A   4       5.715  -1.650  -1.859  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.538  -1.425  -2.673  1.00  0.57           C  
ATOM     55  C   CYS A   4       3.917  -2.748  -3.087  1.00  0.56           C  
ATOM     56  O   CYS A   4       2.717  -2.942  -2.910  1.00  0.78           O  
ATOM     57  CB  CYS A   4       4.884  -0.586  -3.903  1.00  0.62           C  
ATOM     58  SG  CYS A   4       5.535   1.068  -3.508  1.00  1.29           S  
ATOM     59  H   CYS A   4       6.601  -1.440  -2.229  1.00  0.55           H  
ATOM     60  HA  CYS A   4       3.823  -0.884  -2.072  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       5.632  -1.102  -4.486  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       3.994  -0.455  -4.501  1.00  1.09           H  
ATOM     63  N   LYS A   5       4.746  -3.665  -3.605  1.00  0.45           N  
ATOM     64  CA  LYS A   5       4.272  -4.981  -4.033  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.458  -5.629  -2.925  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.235  -5.760  -3.029  1.00  0.35           O  
ATOM     67  CB  LYS A   5       5.439  -5.897  -4.398  1.00  0.57           C  
ATOM     68  CG  LYS A   5       6.354  -5.359  -5.482  1.00  0.70           C  
ATOM     69  CD  LYS A   5       7.473  -6.344  -5.779  1.00  1.19           C  
ATOM     70  CE  LYS A   5       8.490  -5.771  -6.748  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       9.635  -6.692  -6.950  1.00  2.67           N1+
ATOM     72  H   LYS A   5       5.696  -3.450  -3.697  1.00  0.48           H  
ATOM     73  HA  LYS A   5       3.643  -4.845  -4.896  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       6.035  -6.064  -3.513  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       5.043  -6.843  -4.731  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       5.777  -5.195  -6.382  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       6.784  -4.425  -5.150  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       7.971  -6.596  -4.857  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       7.044  -7.238  -6.211  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       8.006  -5.600  -7.697  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       8.855  -4.832  -6.355  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5       9.309  -7.580  -7.382  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5      10.085  -6.915  -6.034  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5      10.342  -6.255  -7.573  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.135  -6.025  -1.856  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.453  -6.620  -0.738  1.00  0.30           C  
HETATM   87  CG  B3E A   6       4.037  -8.000  -0.423  1.00  0.49           C  
HETATM   88  CD  B3E A   6       3.785  -9.030  -1.512  1.00  0.97           C  
HETATM   89  CE  B3E A   6       4.337 -10.393  -1.157  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       3.713 -11.101  -0.336  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       5.399 -10.763  -1.693  1.00  1.43           O  
HETATM   92  CB  B3E A   6       3.591  -5.752   0.506  1.00  0.35           C  
HETATM   93  C   B3E A   6       2.282  -5.121   0.907  1.00  0.38           C  
HETATM   94  O   B3E A   6       1.358  -5.797   1.373  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.115  -5.906  -1.827  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.394  -6.680  -1.019  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       3.596  -8.362   0.492  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       5.103  -7.907  -0.286  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       4.253  -8.692  -2.425  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       2.721  -9.118  -1.666  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       3.942  -6.362   1.323  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.306  -4.964   0.315  1.00  0.37           H  
ATOM    103  N   LEU A   7       2.197  -3.814   0.703  1.00  0.40           N  
ATOM    104  CA  LEU A   7       1.006  -3.057   1.045  1.00  0.51           C  
ATOM    105  C   LEU A   7      -0.076  -3.207  -0.022  1.00  0.54           C  
ATOM    106  O   LEU A   7      -1.231  -3.467   0.310  1.00  0.63           O  
ATOM    107  CB  LEU A   7       1.342  -1.573   1.250  1.00  0.62           C  
ATOM    108  CG  LEU A   7       1.960  -1.194   2.607  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       0.987  -1.469   3.741  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       3.274  -1.923   2.851  1.00  0.89           C  
ATOM    111  H   LEU A   7       2.967  -3.339   0.316  1.00  0.37           H  
ATOM    112  HA  LEU A   7       0.627  -3.457   1.973  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       2.032  -1.278   0.474  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       0.433  -1.005   1.126  1.00  0.77           H  
ATOM    115  HG  LEU A   7       2.168  -0.133   2.606  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       0.069  -0.930   3.564  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       1.422  -1.141   4.674  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       0.781  -2.528   3.792  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       3.673  -1.633   3.812  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       3.979  -1.664   2.075  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       3.100  -2.989   2.839  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.293  -3.061  -1.299  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.695  -3.101  -2.373  1.00  0.62           C  
ATOM    124  C   LYS A   8      -1.376  -4.464  -2.412  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.600  -4.554  -2.482  1.00  0.75           O  
ATOM    126  CB  LYS A   8      -0.063  -2.772  -3.729  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -1.081  -2.571  -4.837  1.00  0.90           C  
ATOM    128  CD  LYS A   8      -0.418  -2.153  -6.138  1.00  1.14           C  
ATOM    129  CE  LYS A   8      -1.445  -1.897  -7.233  1.00  1.72           C  
ATOM    130  NZ  LYS A   8      -2.215  -3.121  -7.580  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.241  -2.935  -1.524  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -1.441  -2.356  -2.148  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.518  -1.867  -3.633  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       0.593  -3.582  -4.015  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -1.609  -3.497  -4.996  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -1.778  -1.803  -4.535  1.00  1.35           H  
ATOM    137  HD2 LYS A   8       0.145  -1.248  -5.969  1.00  1.64           H  
ATOM    138  HD3 LYS A   8       0.249  -2.939  -6.460  1.00  1.57           H  
ATOM    139  HE2 LYS A   8      -2.131  -1.137  -6.891  1.00  2.39           H  
ATOM    140  HE3 LYS A   8      -0.930  -1.544  -8.115  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8      -1.572  -3.872  -7.901  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8      -2.892  -2.915  -8.341  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8      -2.742  -3.464  -6.751  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.585  -5.525  -2.375  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -1.142  -6.859  -2.358  1.00  0.57           C  
HETATM  146  CG  B3K A   9      -1.219  -7.438  -3.779  1.00  0.76           C  
HETATM  147  CD  B3K A   9       0.101  -7.437  -4.535  1.00  1.37           C  
HETATM  148  CE  B3K A   9      -0.067  -7.994  -5.939  1.00  1.57           C  
HETATM  149  CF  B3K A   9       1.245  -7.990  -6.704  1.00  2.17           C  
HETATM  150  NZ  B3K A   9       1.758  -6.612  -6.939  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.317  -7.799  -1.483  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.097  -8.265  -0.278  1.00  0.43           C  
HETATM  153  O   B3K A   9      -1.819  -9.265  -0.329  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.393  -5.402  -2.363  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -2.145  -6.762  -1.919  1.00  0.62           H  
HETATM  156  HG2 B3K A   9      -1.932  -6.859  -4.348  1.00  1.17           H  
HETATM  157  HG3 B3K A   9      -1.569  -8.456  -3.719  1.00  1.48           H  
HETATM  158  HD2 B3K A   9       0.813  -8.044  -3.998  1.00  2.13           H  
HETATM  159  HD3 B3K A   9       0.467  -6.423  -4.604  1.00  1.86           H  
HETATM  160  HE2 B3K A   9      -0.786  -7.389  -6.472  1.00  2.04           H  
HETATM  161  HE3 B3K A   9      -0.427  -9.008  -5.871  1.00  1.90           H  
HETATM  162  HF1 B3K A   9       1.092  -8.474  -7.657  1.00  2.47           H  
HETATM  163  HF2 B3K A   9       1.978  -8.543  -6.136  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9       2.672  -6.652  -7.438  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9       1.894  -6.118  -6.037  1.00  3.36           H  
HETATM  166  HB1 B3K A   9      -0.030  -8.661  -2.065  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.566  -7.286  -1.139  1.00  0.45           H  
ATOM    168  N   ARG A  10      -0.945  -7.529   0.818  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -1.710  -7.782   2.026  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.124  -7.230   1.886  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.100  -7.901   2.216  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -1.013  -7.147   3.232  1.00  0.54           C  
ATOM    173  CG  ARG A  10      -1.805  -7.245   4.526  1.00  0.96           C  
ATOM    174  CD  ARG A  10      -2.068  -8.690   4.924  1.00  1.33           C  
ATOM    175  NE  ARG A  10      -2.819  -8.783   6.177  1.00  1.88           N  
ATOM    176  CZ  ARG A  10      -3.580  -9.822   6.515  1.00  2.80           C  
ATOM    177  NH1 ARG A  10      -3.693 -10.863   5.698  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10      -4.230  -9.817   7.673  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.282  -6.801   0.819  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -1.766  -8.848   2.170  1.00  0.53           H  
ATOM    181  HB2 ARG A  10      -0.063  -7.634   3.381  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -0.841  -6.102   3.024  1.00  1.03           H  
ATOM    183  HG2 ARG A  10      -1.248  -6.762   5.313  1.00  1.46           H  
ATOM    184  HG3 ARG A  10      -2.751  -6.742   4.389  1.00  1.60           H  
ATOM    185  HD2 ARG A  10      -2.634  -9.169   4.139  1.00  1.90           H  
ATOM    186  HD3 ARG A  10      -1.121  -9.196   5.044  1.00  1.74           H  
ATOM    187  HE  ARG A  10      -2.749  -8.024   6.802  1.00  2.07           H  
ATOM    188 HH11 ARG A  10      -4.268 -11.645   5.955  1.00  4.18           H  
ATOM    189 HH12 ARG A  10      -3.202 -10.876   4.823  1.00  3.23           H  
ATOM    190 HH21 ARG A  10      -4.804 -10.597   7.934  1.00  4.28           H  
ATOM    191 HH22 ARG A  10      -4.153  -9.029   8.292  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.225  -6.018   1.364  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.503  -5.327   1.266  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.187  -5.608  -0.068  1.00  0.33           C  
ATOM    195  O   TYR A  11      -5.797  -4.719  -0.666  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -4.293  -3.827   1.446  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -3.899  -3.436   2.850  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.818  -3.507   3.888  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.618  -2.986   3.136  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -4.472  -3.140   5.172  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -2.263  -2.619   4.419  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -3.194  -2.697   5.433  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -2.846  -2.330   6.714  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.420  -5.575   1.025  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.134  -5.689   2.063  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.510  -3.499   0.780  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -5.206  -3.312   1.200  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.819  -3.856   3.680  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -1.891  -2.926   2.338  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -5.200  -3.203   5.965  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -1.261  -2.272   4.623  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -2.496  -1.430   6.707  1.00  1.30           H  
HETATM  213  N   AIB A  12      -5.109  -6.865  -0.500  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.695  -7.316  -1.771  1.00  0.54           C  
HETATM  215  C   AIB A  12      -7.176  -6.920  -1.857  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.671  -6.557  -2.927  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -5.569  -8.821  -1.872  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -4.932  -6.723  -2.938  1.00  0.69           C  
HETATM  219  H   AIB A  12      -4.638  -7.519   0.060  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -6.140  -9.284  -1.082  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -4.530  -9.104  -1.780  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -5.948  -9.150  -2.830  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -4.978  -5.646  -2.886  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -5.375  -7.058  -3.863  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -3.903  -7.043  -2.895  1.00  1.24           H  
ATOM    226  N   GLY A  13      -7.872  -6.976  -0.726  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.297  -6.709  -0.716  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.637  -5.267  -0.385  1.00  0.45           C  
ATOM    229  O   GLY A  13     -10.798  -4.944  -0.129  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.411  -7.200   0.111  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.698  -6.943  -1.690  1.00  0.50           H  
ATOM    232  HA3 GLY A  13      -9.764  -7.352   0.013  1.00  0.55           H  
ATOM    233  N   CYS A  14      -8.638  -4.400  -0.388  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -8.852  -2.986  -0.109  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.370  -2.142  -1.278  1.00  0.27           C  
ATOM    236  O   CYS A  14      -7.687  -2.643  -2.170  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -8.095  -2.576   1.154  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -8.551  -3.514   2.648  1.00  0.86           S  
ATOM    239  H   CYS A  14      -7.728  -4.714  -0.590  1.00  0.27           H  
ATOM    240  HA  CYS A  14      -9.909  -2.823   0.035  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -7.041  -2.717   0.988  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -8.284  -1.532   1.353  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.735  -0.868  -1.280  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -8.229   0.059  -2.278  1.00  0.34           C  
ATOM    245  C   GLU A  15      -6.903   0.622  -1.792  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.867   1.343  -0.803  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -9.227   1.189  -2.523  1.00  0.45           C  
ATOM    248  CG  GLU A  15     -10.592   0.699  -2.967  1.00  0.46           C  
ATOM    249  CD  GLU A  15     -10.525  -0.195  -4.187  1.00  1.31           C  
ATOM    250  OE1 GLU A  15     -10.448   0.332  -5.316  1.00  2.00           O  
ATOM    251  OE2 GLU A  15     -10.560  -1.434  -4.024  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.351  -0.539  -0.586  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -8.072  -0.487  -3.196  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -9.348   1.754  -1.608  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.835   1.841  -3.289  1.00  0.59           H  
ATOM    256  HG2 GLU A  15     -11.038   0.144  -2.158  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -11.208   1.554  -3.196  1.00  0.96           H  
HETATM  258  N   MVA A  16      -5.794   0.309  -2.467  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -5.917  -0.338  -3.793  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.469   0.655  -1.906  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.866  -0.527  -1.089  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -3.855  -1.817  -1.885  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -2.459  -0.196  -0.604  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.454   1.131  -2.950  1.00  0.33           C  
HETATM  265  O   MVA A  16      -3.158   0.457  -3.943  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -4.943  -0.401  -4.253  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -6.575   0.245  -4.420  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -6.320  -1.333  -3.674  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.597   1.470  -1.207  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -4.487  -0.681  -0.219  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -3.318  -1.663  -2.810  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -4.870  -2.114  -2.104  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -3.370  -2.589  -1.311  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -2.077  -1.019  -0.017  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -2.484   0.699   0.002  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -1.814  -0.034  -1.456  1.00  1.04           H  
ATOM    277  N   ARG A  17      -2.915   2.310  -2.695  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -1.910   2.908  -3.549  1.00  0.46           C  
ATOM    279  C   ARG A  17      -0.598   3.041  -2.793  1.00  0.44           C  
ATOM    280  O   ARG A  17      -0.588   3.304  -1.591  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -2.365   4.286  -4.017  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -3.647   4.275  -4.831  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -4.053   5.687  -5.223  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -3.000   6.367  -5.977  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -2.269   7.376  -5.501  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -2.468   7.831  -4.269  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -1.330   7.923  -6.257  1.00  3.60           N  
ATOM    288  H   ARG A  17      -3.193   2.792  -1.880  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -1.764   2.266  -4.404  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -2.519   4.910  -3.151  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -1.584   4.720  -4.624  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -3.492   3.692  -5.725  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -4.435   3.832  -4.239  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -4.945   5.638  -5.831  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -4.263   6.251  -4.325  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -2.827   6.049  -6.895  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -3.170   7.421  -3.686  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -1.913   8.591  -3.915  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -0.775   8.682  -5.904  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -1.165   7.578  -7.184  1.00  3.84           H  
ATOM    301  N   CYS A  18       0.503   2.863  -3.494  1.00  0.49           N  
ATOM    302  CA  CYS A  18       1.811   3.020  -2.888  1.00  0.49           C  
ATOM    303  C   CYS A  18       2.569   4.147  -3.572  1.00  0.50           C  
ATOM    304  O   CYS A  18       2.676   4.180  -4.798  1.00  0.67           O  
ATOM    305  CB  CYS A  18       2.608   1.722  -2.979  1.00  0.62           C  
ATOM    306  SG  CYS A  18       4.225   1.786  -2.135  1.00  1.54           S  
ATOM    307  H   CYS A  18       0.436   2.628  -4.444  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.665   3.271  -1.848  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       2.032   0.925  -2.532  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       2.788   1.491  -4.018  1.00  1.05           H  
ATOM    311  N   ASP A  19       3.082   5.073  -2.780  1.00  0.47           N  
ATOM    312  CA  ASP A  19       3.844   6.192  -3.308  1.00  0.61           C  
ATOM    313  C   ASP A  19       5.161   6.298  -2.555  1.00  0.55           C  
ATOM    314  O   ASP A  19       5.269   7.036  -1.571  1.00  0.58           O  
ATOM    315  CB  ASP A  19       3.050   7.494  -3.177  1.00  0.81           C  
ATOM    316  CG  ASP A  19       3.599   8.605  -4.053  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       4.587   9.253  -3.643  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       3.062   8.832  -5.157  1.00  1.37           O1-
ATOM    319  H   ASP A  19       2.959   4.997  -1.808  1.00  0.47           H  
ATOM    320  HA  ASP A  19       4.046   5.999  -4.351  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       2.025   7.312  -3.461  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       3.082   7.821  -2.149  1.00  0.85           H  
HETATM  323  N   DPR A  20       6.174   5.539  -2.993  1.00  0.55           N  
HETATM  324  CA  DPR A  20       7.467   5.469  -2.312  1.00  0.55           C  
HETATM  325  CB  DPR A  20       8.246   4.419  -3.102  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.585   4.369  -4.435  1.00  0.78           C  
HETATM  327  CD  DPR A  20       6.139   4.691  -4.195  1.00  0.65           C  
HETATM  328  C   DPR A  20       7.315   5.033  -0.858  1.00  0.42           C  
HETATM  329  O   DPR A  20       6.834   3.935  -0.577  1.00  0.42           O  
HETATM  330  HA  DPR A  20       7.992   6.408  -2.356  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       8.183   3.467  -2.597  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       9.278   4.722  -3.183  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       7.683   3.380  -4.856  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       8.028   5.102  -5.091  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.575   3.789  -4.013  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       5.732   5.230  -5.035  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.717   5.894   0.085  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.616   5.607   1.516  1.00  0.50           C  
ATOM    339  C   PRO A  21       6.208   5.830   2.068  1.00  0.49           C  
ATOM    340  O   PRO A  21       5.947   5.593   3.248  1.00  0.54           O  
ATOM    341  CB  PRO A  21       8.589   6.609   2.129  1.00  0.65           C  
ATOM    342  CG  PRO A  21       8.544   7.776   1.204  1.00  0.69           C  
ATOM    343  CD  PRO A  21       8.331   7.209  -0.172  1.00  0.58           C  
ATOM    344  HA  PRO A  21       7.937   4.603   1.742  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       8.258   6.877   3.122  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       9.578   6.179   2.174  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       7.723   8.425   1.472  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       9.478   8.316   1.246  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       7.666   7.838  -0.742  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       9.274   7.097  -0.683  1.00  0.59           H  
ATOM    351  N   ARG A  22       5.303   6.292   1.216  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.942   6.581   1.638  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.990   5.501   1.156  1.00  0.39           C  
ATOM    354  O   ARG A  22       3.094   5.028   0.026  1.00  0.44           O  
ATOM    355  CB  ARG A  22       3.498   7.948   1.114  1.00  0.67           C  
ATOM    356  CG  ARG A  22       4.235   9.113   1.754  1.00  0.83           C  
ATOM    357  CD  ARG A  22       3.955   9.192   3.248  1.00  0.97           C  
ATOM    358  NE  ARG A  22       2.537   9.416   3.529  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       1.911   8.965   4.616  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       2.576   8.273   5.533  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22       0.617   9.211   4.786  1.00  3.38           N  
ATOM    362  H   ARG A  22       5.551   6.423   0.273  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.926   6.595   2.716  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       3.668   7.983   0.048  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       2.443   8.066   1.306  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       5.296   8.982   1.601  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       3.912  10.032   1.285  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       4.261   8.265   3.707  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       4.530  10.006   3.668  1.00  1.53           H  
ATOM    370  HE  ARG A  22       2.022   9.935   2.866  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       2.101   7.934   6.350  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       3.553   8.081   5.413  1.00  1.29           H  
ATOM    373 HH21 ARG A  22       0.143   8.873   5.602  1.00  3.77           H  
ATOM    374 HH22 ARG A  22       0.105   9.736   4.098  1.00  3.90           H  
ATOM    375  N   TYR A  23       2.069   5.112   2.018  1.00  0.40           N  
ATOM    376  CA  TYR A  23       1.119   4.061   1.698  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.303   4.528   1.966  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.635   4.935   3.082  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.408   2.811   2.527  1.00  0.55           C  
ATOM    380  CG  TYR A  23       2.842   2.347   2.452  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       3.733   2.614   3.481  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       3.308   1.649   1.347  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       5.046   2.200   3.413  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       4.619   1.228   1.271  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       5.476   1.479   2.323  1.00  0.66           C  
ATOM    386  OH  TYR A  23       6.795   1.095   2.230  1.00  0.74           O  
ATOM    387  H   TYR A  23       2.025   5.543   2.900  1.00  0.52           H  
ATOM    388  HA  TYR A  23       1.222   3.823   0.650  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.180   3.014   3.562  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       0.778   2.005   2.177  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       3.385   3.156   4.348  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       2.626   1.430   0.539  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       5.723   2.417   4.224  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       4.961   0.685   0.404  1.00  0.70           H  
ATOM    395  HH  TYR A  23       7.188   1.426   1.411  1.00  1.09           H  
ATOM    396  N   GLU A  24      -1.136   4.468   0.946  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.533   4.830   1.083  1.00  0.23           C  
ATOM    398  C   GLU A  24      -3.396   3.583   0.936  1.00  0.27           C  
ATOM    399  O   GLU A  24      -3.187   2.797   0.021  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -2.916   5.883   0.042  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -2.292   7.246   0.302  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -2.718   8.289  -0.709  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -3.936   8.428  -0.947  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -1.840   8.976  -1.269  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -0.808   4.151   0.075  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.672   5.240   2.071  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -2.594   5.544  -0.931  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -3.989   5.995   0.038  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -2.585   7.582   1.286  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -1.216   7.148   0.264  1.00  1.43           H  
HETATM  411  N   MVA A  25      -4.369   3.376   1.836  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.648   4.411   2.851  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -5.180   2.147   1.796  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -4.429   0.938   2.423  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -3.874   1.262   3.803  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -5.341  -0.278   2.484  1.00  0.36           C  
HETATM  417  C   MVA A  25      -6.549   2.311   2.469  1.00  0.32           C  
HETATM  418  O   MVA A  25      -6.670   2.468   3.690  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -3.828   4.458   3.553  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -5.558   4.162   3.377  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -4.761   5.368   2.368  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -5.371   1.890   0.762  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -3.595   0.694   1.780  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -4.681   1.557   4.455  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -3.161   2.069   3.723  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -3.384   0.389   4.205  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -4.794  -1.119   2.885  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -5.693  -0.514   1.491  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -6.186  -0.061   3.123  1.00  1.18           H  
ATOM    430  N   HIS A  26      -7.578   2.253   1.645  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -8.944   2.419   2.092  1.00  0.48           C  
ATOM    432  C   HIS A  26      -9.695   1.102   1.961  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.913   0.606   0.855  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.648   3.499   1.266  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -8.920   4.811   1.223  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -8.864   5.679   2.291  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -8.206   5.395   0.232  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -8.152   6.738   1.959  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -7.739   6.590   0.716  1.00  0.77           N  
ATOM    440  H   HIS A  26      -7.411   2.076   0.693  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -8.928   2.716   3.129  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.757   3.147   0.252  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.625   3.678   1.683  1.00  0.67           H  
ATOM    444  HD1 HIS A  26      -9.278   5.534   3.174  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -8.038   4.997  -0.757  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -7.941   7.581   2.598  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -7.066   7.155   0.276  1.00  0.91           H  
ATOM    448  N   CYS A  27     -10.059   0.526   3.088  1.00  0.63           N  
ATOM    449  CA  CYS A  27     -10.822  -0.708   3.101  1.00  0.72           C  
ATOM    450  C   CYS A  27     -12.304  -0.397   3.267  1.00  1.07           C  
ATOM    451  O   CYS A  27     -13.106  -0.611   2.356  1.00  1.52           O  
ATOM    452  CB  CYS A  27     -10.335  -1.630   4.224  1.00  0.83           C  
ATOM    453  SG  CYS A  27      -8.577  -2.098   4.104  1.00  1.10           S  
ATOM    454  H   CYS A  27      -9.812   0.943   3.940  1.00  0.68           H  
ATOM    455  HA  CYS A  27     -10.672  -1.201   2.151  1.00  0.61           H  
ATOM    456  HB2 CYS A  27     -10.476  -1.135   5.173  1.00  1.38           H  
ATOM    457  HB3 CYS A  27     -10.919  -2.537   4.209  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -12.667   0.120   4.429  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -11.973   0.265   5.108  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -13.613   0.343   4.564  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
MODEL        5                                                                  
ATOM      1  N   ASN A   1      11.558  -1.102   0.994  1.00  2.83           N  
ATOM      2  CA  ASN A   1      11.389  -0.584  -0.383  1.00  2.53           C  
ATOM      3  C   ASN A   1      10.768  -1.639  -1.289  1.00  1.75           C  
ATOM      4  O   ASN A   1      10.122  -1.312  -2.283  1.00  1.89           O  
ATOM      5  CB  ASN A   1      12.737  -0.138  -0.957  1.00  3.29           C  
ATOM      6  CG  ASN A   1      13.342   1.018  -0.184  1.00  4.23           C  
ATOM      7  OD1 ASN A   1      12.630   1.852   0.375  1.00  4.58           O  
ATOM      8  ND2 ASN A   1      14.662   1.076  -0.145  1.00  4.97           N  
ATOM      9  H1  ASN A   1      10.639  -1.399   1.378  1.00  3.33           H  
ATOM     10  H2  ASN A   1      11.950  -0.363   1.610  1.00  3.20           H  
ATOM     11  H3  ASN A   1      12.202  -1.916   1.000  1.00  2.74           H  
ATOM     12  HA  ASN A   1      10.727   0.267  -0.342  1.00  2.86           H  
ATOM     13  HB2 ASN A   1      13.427  -0.967  -0.923  1.00  3.24           H  
ATOM     14  HB3 ASN A   1      12.600   0.170  -1.982  1.00  3.69           H  
ATOM     15 HD21 ASN A   1      15.172   0.376  -0.609  1.00  4.96           H  
ATOM     16 HD22 ASN A   1      15.081   1.815   0.345  1.00  5.67           H  
ATOM     17  N   ASP A   2      10.971  -2.908  -0.949  1.00  1.32           N  
ATOM     18  CA  ASP A   2      10.397  -4.010  -1.717  1.00  0.96           C  
ATOM     19  C   ASP A   2       8.897  -4.096  -1.470  1.00  0.74           C  
ATOM     20  O   ASP A   2       8.114  -4.358  -2.383  1.00  0.80           O  
ATOM     21  CB  ASP A   2      11.078  -5.335  -1.349  1.00  1.49           C  
ATOM     22  CG  ASP A   2      10.556  -6.513  -2.153  1.00  2.21           C  
ATOM     23  OD1 ASP A   2       9.628  -7.202  -1.679  1.00  2.88           O  
ATOM     24  OD2 ASP A   2      11.055  -6.740  -3.274  1.00  2.65           O1-
ATOM     25  H   ASP A   2      11.526  -3.113  -0.165  1.00  1.67           H  
ATOM     26  HA  ASP A   2      10.564  -3.807  -2.763  1.00  1.19           H  
ATOM     27  HB2 ASP A   2      12.139  -5.248  -1.530  1.00  1.81           H  
ATOM     28  HB3 ASP A   2      10.914  -5.538  -0.301  1.00  2.06           H  
HETATM   29  N   B3K A   3       8.493  -3.847  -0.233  1.00  0.63           N  
HETATM   30  CA  B3K A   3       7.088  -3.892   0.120  1.00  0.56           C  
HETATM   31  CG  B3K A   3       6.909  -4.479   1.525  1.00  0.70           C  
HETATM   32  CD  B3K A   3       7.525  -5.858   1.694  1.00  0.81           C  
HETATM   33  CE  B3K A   3       7.249  -6.432   3.072  1.00  1.07           C  
HETATM   34  CF  B3K A   3       7.946  -7.769   3.266  1.00  1.41           C  
HETATM   35  NZ  B3K A   3       7.593  -8.742   2.196  1.00  1.88           N  
HETATM   36  CB  B3K A   3       6.483  -2.489   0.098  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.291  -2.392  -0.826  1.00  0.52           C  
HETATM   38  O   B3K A   3       4.190  -2.844  -0.498  1.00  0.53           O  
HETATM   39  H   B3K A   3       9.156  -3.621   0.452  1.00  0.74           H  
HETATM   40  HA  B3K A   3       6.586  -4.512  -0.623  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       5.854  -4.551   1.739  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       7.367  -3.814   2.241  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       8.593  -5.785   1.550  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       7.107  -6.520   0.952  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       6.184  -6.570   3.187  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       7.607  -5.738   3.820  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       7.653  -8.177   4.222  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       9.013  -7.609   3.256  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3       7.882  -8.375   1.267  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3       6.569  -8.910   2.188  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       6.164  -2.229   1.096  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       7.231  -1.783  -0.234  1.00  0.56           H  
ATOM     53  N   CYS A   4       5.514  -1.799  -1.993  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.464  -1.656  -2.990  1.00  0.57           C  
ATOM     55  C   CYS A   4       4.102  -3.011  -3.581  1.00  0.56           C  
ATOM     56  O   CYS A   4       2.956  -3.244  -3.956  1.00  0.78           O  
ATOM     57  CB  CYS A   4       4.890  -0.686  -4.098  1.00  0.62           C  
ATOM     58  SG  CYS A   4       3.593  -0.364  -5.341  1.00  1.29           S  
ATOM     59  H   CYS A   4       6.409  -1.437  -2.183  1.00  0.55           H  
ATOM     60  HA  CYS A   4       3.594  -1.257  -2.492  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       5.161   0.260  -3.655  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       5.748  -1.094  -4.614  1.00  1.09           H  
ATOM     63  N   LYS A   5       5.076  -3.908  -3.648  1.00  0.45           N  
ATOM     64  CA  LYS A   5       4.826  -5.259  -4.126  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.901  -5.982  -3.155  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.695  -6.078  -3.388  1.00  0.35           O  
ATOM     67  CB  LYS A   5       6.142  -6.019  -4.290  1.00  0.57           C  
ATOM     68  CG  LYS A   5       7.061  -5.413  -5.337  1.00  0.70           C  
ATOM     69  CD  LYS A   5       8.464  -5.990  -5.253  1.00  1.19           C  
ATOM     70  CE  LYS A   5       8.468  -7.502  -5.395  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       9.845  -8.054  -5.338  1.00  2.67           N1+
ATOM     72  H   LYS A   5       5.980  -3.661  -3.360  1.00  0.48           H  
ATOM     73  HA  LYS A   5       4.336  -5.185  -5.084  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       6.662  -6.026  -3.344  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       5.922  -7.035  -4.579  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       6.658  -5.617  -6.317  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       7.110  -4.345  -5.182  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       9.065  -5.565  -6.042  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       8.892  -5.726  -4.295  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       7.885  -7.929  -4.592  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       8.021  -7.764  -6.342  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5      10.324  -7.733  -4.467  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5      10.393  -7.732  -6.160  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5       9.816  -9.093  -5.342  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.456  -6.469  -2.056  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.661  -7.149  -1.056  1.00  0.30           C  
HETATM   87  CG  B3E A   6       3.941  -8.657  -1.074  1.00  0.49           C  
HETATM   88  CD  B3E A   6       3.625  -9.320  -2.403  1.00  0.97           C  
HETATM   89  CE  B3E A   6       3.887 -10.809  -2.385  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       2.978 -11.572  -1.988  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       4.998 -11.227  -2.774  1.00  1.43           O  
HETATM   92  CB  B3E A   6       3.974  -6.613   0.338  1.00  0.35           C  
HETATM   93  C   B3E A   6       2.752  -6.046   1.021  1.00  0.38           C  
HETATM   94  O   B3E A   6       1.937  -6.780   1.587  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.425  -6.373  -1.919  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.614  -6.946  -1.290  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       3.343  -9.129  -0.310  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       4.984  -8.823  -0.853  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       4.238  -8.870  -3.171  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       2.584  -9.156  -2.634  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       4.365  -7.416   0.943  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.716  -5.829   0.261  1.00  0.37           H  
ATOM    103  N   LEU A   7       2.620  -4.727   0.963  1.00  0.40           N  
ATOM    104  CA  LEU A   7       1.492  -4.049   1.573  1.00  0.51           C  
ATOM    105  C   LEU A   7       0.348  -3.924   0.577  1.00  0.54           C  
ATOM    106  O   LEU A   7      -0.770  -4.352   0.865  1.00  0.63           O  
ATOM    107  CB  LEU A   7       1.907  -2.666   2.084  1.00  0.62           C  
ATOM    108  CG  LEU A   7       3.065  -2.663   3.088  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       3.373  -1.247   3.539  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       2.745  -3.539   4.288  1.00  0.89           C  
ATOM    111  H   LEU A   7       3.299  -4.198   0.490  1.00  0.37           H  
ATOM    112  HA  LEU A   7       1.159  -4.646   2.406  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       2.192  -2.062   1.235  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       1.052  -2.211   2.558  1.00  0.77           H  
ATOM    115  HG  LEU A   7       3.948  -3.059   2.610  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       3.654  -0.649   2.685  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       4.185  -1.265   4.251  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       2.497  -0.820   4.005  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       3.546  -3.467   5.009  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       2.642  -4.565   3.969  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       1.823  -3.207   4.740  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.638  -3.362  -0.604  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.381  -3.185  -1.637  1.00  0.62           C  
ATOM    124  C   LYS A   8      -1.046  -4.522  -1.929  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.269  -4.633  -1.933  1.00  0.75           O  
ATOM    126  CB  LYS A   8       0.224  -2.590  -2.913  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -0.810  -2.265  -3.981  1.00  0.90           C  
ATOM    128  CD  LYS A   8      -0.174  -1.680  -5.235  1.00  1.14           C  
ATOM    129  CE  LYS A   8       0.665  -2.706  -5.982  1.00  1.72           C  
ATOM    130  NZ  LYS A   8      -0.158  -3.833  -6.501  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.553  -3.068  -0.782  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -1.125  -2.506  -1.249  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.744  -1.679  -2.659  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       0.931  -3.293  -3.328  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -1.332  -3.170  -4.246  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -1.510  -1.549  -3.579  1.00  1.35           H  
ATOM    137  HD2 LYS A   8      -0.957  -1.327  -5.889  1.00  1.64           H  
ATOM    138  HD3 LYS A   8       0.457  -0.850  -4.950  1.00  1.57           H  
ATOM    139  HE2 LYS A   8       1.150  -2.216  -6.813  1.00  2.39           H  
ATOM    140  HE3 LYS A   8       1.415  -3.097  -5.312  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8      -0.855  -3.482  -7.185  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8      -0.663  -4.300  -5.723  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8       0.450  -4.534  -6.972  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.231  -5.540  -2.165  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -0.748  -6.862  -2.399  1.00  0.57           C  
HETATM  146  CG  B3K A   9      -0.276  -7.391  -3.759  1.00  0.76           C  
HETATM  147  CD  B3K A   9      -0.933  -8.702  -4.163  1.00  1.37           C  
HETATM  148  CE  B3K A   9      -0.307  -9.287  -5.419  1.00  1.57           C  
HETATM  149  CF  B3K A   9      -0.445  -8.356  -6.614  1.00  2.17           C  
HETATM  150  NZ  B3K A   9      -1.865  -8.107  -6.977  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.232  -7.813  -1.321  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.319  -8.300  -0.397  1.00  0.43           C  
HETATM  153  O   B3K A   9      -2.167  -9.108  -0.777  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.739  -5.391  -2.177  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -1.843  -6.796  -2.339  1.00  0.62           H  
HETATM  156  HG2 B3K A   9       0.793  -7.543  -3.722  1.00  1.17           H  
HETATM  157  HG3 B3K A   9      -0.500  -6.653  -4.515  1.00  1.48           H  
HETATM  158  HD2 B3K A   9      -1.982  -8.525  -4.344  1.00  2.13           H  
HETATM  159  HD3 B3K A   9      -0.822  -9.412  -3.357  1.00  1.86           H  
HETATM  160  HE2 B3K A   9      -0.797 -10.223  -5.647  1.00  2.04           H  
HETATM  161  HE3 B3K A   9       0.741  -9.467  -5.235  1.00  1.90           H  
HETATM  162  HF1 B3K A   9       0.060  -8.801  -7.457  1.00  2.47           H  
HETATM  163  HF2 B3K A   9       0.025  -7.415  -6.374  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9      -1.917  -7.512  -7.829  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9      -2.357  -7.620  -6.200  1.00  3.36           H  
HETATM  166  HB1 B3K A   9       0.219  -8.669  -1.796  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.512  -7.302  -0.727  1.00  0.45           H  
ATOM    168  N   ARG A  10      -1.293  -7.795   0.830  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -2.261  -8.189   1.840  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.486  -7.282   1.838  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.558  -7.689   2.278  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -1.609  -8.194   3.222  1.00  0.54           C  
ATOM    173  CG  ARG A  10      -0.526  -9.252   3.374  1.00  0.96           C  
ATOM    174  CD  ARG A  10       0.095  -9.232   4.760  1.00  1.33           C  
ATOM    175  NE  ARG A  10       0.759  -7.958   5.047  1.00  1.88           N  
ATOM    176  CZ  ARG A  10       1.937  -7.851   5.655  1.00  2.80           C  
ATOM    177  NH1 ARG A  10       2.601  -8.937   6.028  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10       2.451  -6.652   5.888  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.597  -7.142   1.063  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -2.582  -9.191   1.606  1.00  0.53           H  
ATOM    181  HB2 ARG A  10      -1.166  -7.223   3.402  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -2.371  -8.376   3.964  1.00  1.03           H  
ATOM    183  HG2 ARG A  10      -0.960 -10.226   3.202  1.00  1.46           H  
ATOM    184  HG3 ARG A  10       0.247  -9.068   2.643  1.00  1.60           H  
ATOM    185  HD2 ARG A  10      -0.683  -9.396   5.493  1.00  1.90           H  
ATOM    186  HD3 ARG A  10       0.821 -10.028   4.824  1.00  1.74           H  
ATOM    187  HE  ARG A  10       0.291  -7.133   4.776  1.00  2.07           H  
ATOM    188 HH11 ARG A  10       3.488  -8.854   6.486  1.00  4.18           H  
ATOM    189 HH12 ARG A  10       2.220  -9.848   5.853  1.00  3.23           H  
ATOM    190 HH21 ARG A  10       3.339  -6.557   6.345  1.00  4.28           H  
ATOM    191 HH22 ARG A  10       1.946  -5.828   5.612  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.337  -6.062   1.333  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.447  -5.113   1.287  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.194  -5.198  -0.042  1.00  0.33           C  
ATOM    195  O   TYR A  11      -5.881  -4.258  -0.434  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -3.946  -3.682   1.493  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -3.513  -3.363   2.906  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.422  -3.383   3.954  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.190  -3.057   3.194  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -4.026  -3.110   5.248  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -1.785  -2.781   4.485  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -2.727  -2.741   5.500  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -2.309  -2.539   6.801  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.461  -5.789   0.985  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.127  -5.364   2.087  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.100  -3.512   0.847  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -4.736  -2.996   1.226  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.457  -3.616   3.748  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -1.471  -3.035   2.389  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -4.750  -3.133   6.049  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -0.751  -2.544   4.688  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -1.673  -1.811   6.794  1.00  1.30           H  
HETATM  213  N   AIB A  12      -5.074  -6.345  -0.709  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.685  -6.570  -2.032  1.00  0.54           C  
HETATM  215  C   AIB A  12      -7.196  -6.303  -1.991  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.769  -5.779  -2.947  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -5.441  -8.002  -2.459  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -5.031  -5.675  -3.068  1.00  0.69           C  
HETATM  219  H   AIB A  12      -4.553  -7.065  -0.303  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -5.858  -8.160  -3.443  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -5.914  -8.673  -1.758  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -4.379  -8.196  -2.484  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -3.969  -5.867  -3.092  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -5.204  -4.641  -2.808  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -5.457  -5.877  -4.039  1.00  1.24           H  
ATOM    226  N   GLY A  13      -7.834  -6.659  -0.883  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.269  -6.478  -0.757  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.664  -5.043  -0.455  1.00  0.45           C  
ATOM    229  O   GLY A  13     -10.846  -4.730  -0.298  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.326  -7.057  -0.143  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.739  -6.781  -1.679  1.00  0.50           H  
ATOM    232  HA3 GLY A  13      -9.629  -7.111   0.039  1.00  0.55           H  
ATOM    233  N   CYS A  14      -8.674  -4.172  -0.374  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -8.902  -2.767  -0.096  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.430  -1.922  -1.269  1.00  0.27           C  
ATOM    236  O   CYS A  14      -7.801  -2.432  -2.198  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -8.142  -2.359   1.168  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -8.600  -3.303   2.657  1.00  0.86           S  
ATOM    239  H   CYS A  14      -7.753  -4.481  -0.516  1.00  0.27           H  
ATOM    240  HA  CYS A  14      -9.959  -2.615   0.053  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -7.086  -2.504   1.003  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -8.329  -1.314   1.369  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.746  -0.638  -1.237  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -8.234   0.287  -2.236  1.00  0.34           C  
ATOM    245  C   GLU A  15      -6.880   0.803  -1.766  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.807   1.509  -0.761  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -9.205   1.450  -2.456  1.00  0.45           C  
ATOM    248  CG  GLU A  15     -10.597   1.010  -2.886  1.00  0.46           C  
ATOM    249  CD  GLU A  15     -11.476   2.177  -3.281  1.00  1.31           C  
ATOM    250  OE1 GLU A  15     -11.942   2.909  -2.381  1.00  2.00           O  
ATOM    251  OE2 GLU A  15     -11.704   2.373  -4.494  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.322  -0.300  -0.515  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -8.106  -0.255  -3.160  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -9.295   2.007  -1.536  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.804   2.098  -3.221  1.00  0.59           H  
ATOM    256  HG2 GLU A  15     -10.507   0.343  -3.730  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -11.066   0.488  -2.065  1.00  0.96           H  
HETATM  258  N   MVA A  16      -5.791   0.469  -2.473  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -5.957  -0.106  -3.829  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.441   0.724  -1.925  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.912  -0.498  -1.115  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -3.951  -1.783  -1.931  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -2.499  -0.237  -0.600  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.408   1.122  -2.986  1.00  0.33           C  
HETATM  265  O   MVA A  16      -3.105   0.379  -3.923  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -4.997  -0.146  -4.323  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -6.631   0.514  -4.402  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -6.361  -1.104  -3.752  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.502   1.548  -1.227  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -4.556  -0.634  -0.259  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -3.362  -1.657  -2.826  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -4.973  -2.006  -2.200  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -3.548  -2.594  -1.345  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -2.490   0.669  -0.010  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -1.827  -0.125  -1.437  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -2.179  -1.068   0.010  1.00  1.04           H  
ATOM    277  N   ARG A  17      -2.850   2.306  -2.807  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -1.861   2.834  -3.727  1.00  0.46           C  
ATOM    279  C   ARG A  17      -0.555   3.097  -2.996  1.00  0.44           C  
ATOM    280  O   ARG A  17      -0.550   3.646  -1.894  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -2.364   4.129  -4.364  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -3.676   3.976  -5.118  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -4.143   5.305  -5.691  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -5.466   5.212  -6.317  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -6.415   6.140  -6.184  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -6.200   7.212  -5.429  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -7.582   5.994  -6.802  1.00  3.60           N  
ATOM    288  H   ARG A  17      -3.094   2.833  -2.012  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -1.692   2.099  -4.497  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -2.504   4.864  -3.587  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -1.616   4.488  -5.055  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -3.535   3.274  -5.925  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -4.429   3.601  -4.439  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -4.186   6.030  -4.893  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -3.428   5.634  -6.432  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -5.648   4.420  -6.876  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -5.325   7.329  -4.953  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -6.913   7.914  -5.336  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -8.298   6.692  -6.704  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -7.754   5.184  -7.367  1.00  3.84           H  
ATOM    301  N   CYS A  18       0.547   2.698  -3.603  1.00  0.49           N  
ATOM    302  CA  CYS A  18       1.854   2.960  -3.030  1.00  0.49           C  
ATOM    303  C   CYS A  18       2.378   4.288  -3.560  1.00  0.50           C  
ATOM    304  O   CYS A  18       2.312   4.554  -4.760  1.00  0.67           O  
ATOM    305  CB  CYS A  18       2.829   1.823  -3.361  1.00  0.62           C  
ATOM    306  SG  CYS A  18       3.178   1.615  -5.141  1.00  1.54           S  
ATOM    307  H   CYS A  18       0.482   2.227  -4.462  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.737   3.028  -1.957  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       3.768   2.008  -2.863  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       2.413   0.896  -2.998  1.00  1.05           H  
ATOM    311  N   ASP A  19       2.872   5.131  -2.671  1.00  0.47           N  
ATOM    312  CA  ASP A  19       3.350   6.446  -3.063  1.00  0.61           C  
ATOM    313  C   ASP A  19       4.703   6.719  -2.417  1.00  0.55           C  
ATOM    314  O   ASP A  19       4.787   7.416  -1.405  1.00  0.58           O  
ATOM    315  CB  ASP A  19       2.336   7.516  -2.649  1.00  0.81           C  
ATOM    316  CG  ASP A  19       2.511   8.817  -3.409  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       3.511   9.523  -3.155  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       1.655   9.145  -4.259  1.00  1.37           O1-
ATOM    319  H   ASP A  19       2.926   4.866  -1.724  1.00  0.47           H  
ATOM    320  HA  ASP A  19       3.461   6.456  -4.135  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       1.339   7.147  -2.831  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       2.452   7.720  -1.595  1.00  0.85           H  
HETATM  323  N   DPR A  20       5.782   6.163  -2.991  1.00  0.55           N  
HETATM  324  CA  DPR A  20       7.124   6.268  -2.415  1.00  0.55           C  
HETATM  325  CB  DPR A  20       8.015   5.506  -3.398  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.232   5.443  -4.662  1.00  0.78           C  
HETATM  327  CD  DPR A  20       5.789   5.401  -4.249  1.00  0.65           C  
HETATM  328  C   DPR A  20       7.179   5.631  -1.031  1.00  0.42           C  
HETATM  329  O   DPR A  20       6.896   4.442  -0.871  1.00  0.42           O  
HETATM  330  HA  DPR A  20       7.453   7.291  -2.355  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       8.219   4.519  -3.010  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       8.942   6.043  -3.535  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       7.491   4.551  -5.211  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       7.426   6.322  -5.257  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.470   4.383  -4.085  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       5.170   5.878  -4.993  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.530   6.419  -0.009  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.566   5.952   1.376  1.00  0.50           C  
ATOM    339  C   PRO A  21       6.181   5.942   2.019  1.00  0.49           C  
ATOM    340  O   PRO A  21       6.034   5.644   3.207  1.00  0.54           O  
ATOM    341  CB  PRO A  21       8.460   6.984   2.056  1.00  0.65           C  
ATOM    342  CG  PRO A  21       8.208   8.243   1.301  1.00  0.69           C  
ATOM    343  CD  PRO A  21       7.944   7.831  -0.125  1.00  0.58           C  
ATOM    344  HA  PRO A  21       8.012   4.972   1.454  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       8.179   7.081   3.095  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       9.493   6.679   1.981  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       7.347   8.748   1.708  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       9.077   8.881   1.350  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       7.152   8.429  -0.549  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       8.843   7.919  -0.716  1.00  0.59           H  
ATOM    351  N   ARG A  22       5.168   6.284   1.234  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.807   6.355   1.734  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.943   5.266   1.120  1.00  0.39           C  
ATOM    354  O   ARG A  22       3.198   4.804   0.007  1.00  0.44           O  
ATOM    355  CB  ARG A  22       3.205   7.729   1.444  1.00  0.67           C  
ATOM    356  CG  ARG A  22       3.929   8.865   2.143  1.00  0.83           C  
ATOM    357  CD  ARG A  22       3.936   8.678   3.651  1.00  0.97           C  
ATOM    358  NE  ARG A  22       4.612   9.775   4.335  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       4.843   9.805   5.644  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       4.494   8.778   6.410  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22       5.442  10.852   6.184  1.00  3.38           N  
ATOM    362  H   ARG A  22       5.342   6.488   0.288  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.842   6.206   2.801  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       3.243   7.906   0.379  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       2.173   7.735   1.765  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       4.949   8.896   1.789  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       3.435   9.795   1.905  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       2.917   8.622   4.002  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       4.446   7.754   3.883  1.00  1.53           H  
ATOM    370  HE  ARG A  22       4.905  10.537   3.782  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       4.669   8.804   7.398  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       4.062   7.969   6.004  1.00  1.29           H  
ATOM    373 HH21 ARG A  22       5.618  10.879   7.173  1.00  3.77           H  
ATOM    374 HH22 ARG A  22       5.727  11.622   5.609  1.00  3.90           H  
ATOM    375  N   TYR A  23       1.928   4.858   1.860  1.00  0.40           N  
ATOM    376  CA  TYR A  23       1.024   3.808   1.424  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.412   4.194   1.739  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.818   4.219   2.901  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.370   2.488   2.111  1.00  0.55           C  
ATOM    380  CG  TYR A  23       2.785   2.027   1.856  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       3.814   2.347   2.735  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       3.092   1.276   0.733  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       5.108   1.929   2.497  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       4.382   0.855   0.488  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       5.387   1.183   1.372  1.00  0.66           C  
ATOM    386  OH  TYR A  23       6.672   0.762   1.125  1.00  0.74           O  
ATOM    387  H   TYR A  23       1.776   5.278   2.734  1.00  0.52           H  
ATOM    388  HA  TYR A  23       1.134   3.691   0.356  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.245   2.601   3.178  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       0.699   1.719   1.754  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       3.591   2.933   3.614  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       2.303   1.022   0.042  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       5.894   2.188   3.190  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       4.599   0.272  -0.391  1.00  0.70           H  
ATOM    395  HH  TYR A  23       6.898   0.951   0.206  1.00  1.09           H  
ATOM    396  N   GLU A  24      -1.174   4.493   0.704  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.558   4.894   0.870  1.00  0.23           C  
ATOM    398  C   GLU A  24      -3.467   3.678   0.767  1.00  0.27           C  
ATOM    399  O   GLU A  24      -3.375   2.922  -0.195  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -2.940   5.936  -0.182  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -2.228   7.266  -0.004  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -2.502   7.892   1.350  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -3.606   8.442   1.545  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -1.616   7.837   2.226  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -0.801   4.419  -0.203  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.661   5.329   1.850  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -2.695   5.548  -1.159  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -4.004   6.108  -0.131  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -1.165   7.109  -0.102  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -2.564   7.946  -0.773  1.00  1.43           H  
HETATM  411  N   MVA A  25      -4.363   3.470   1.744  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.547   4.503   2.787  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -5.186   2.245   1.756  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -4.420   1.047   2.390  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -3.838   1.391   3.753  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -5.324  -0.170   2.489  1.00  0.36           C  
HETATM  417  C   MVA A  25      -6.537   2.427   2.459  1.00  0.32           C  
HETATM  418  O   MVA A  25      -6.623   2.677   3.664  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -4.691   5.465   2.320  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -3.673   4.536   3.420  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -5.415   4.260   3.382  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -5.404   1.965   0.734  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -3.598   0.795   1.735  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -3.365   0.516   4.174  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -4.628   1.725   4.407  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -3.105   2.177   3.643  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -4.770  -0.997   2.906  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -5.682  -0.435   1.506  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -6.165   0.058   3.127  1.00  1.18           H  
ATOM    430  N   HIS A  26      -7.597   2.277   1.682  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -8.953   2.428   2.183  1.00  0.48           C  
ATOM    432  C   HIS A  26      -9.651   1.076   2.232  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.839   0.430   1.200  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.756   3.386   1.295  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -9.272   4.804   1.314  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -9.742   5.746   2.203  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -8.367   5.445   0.536  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -9.150   6.901   1.971  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -8.311   6.748   0.965  1.00  0.77           N  
ATOM    440  H   HIS A  26      -7.460   2.033   0.736  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -8.897   2.832   3.182  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.710   3.037   0.276  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.784   3.382   1.621  1.00  0.67           H  
ATOM    444  HD1 HIS A  26     -10.414   5.588   2.905  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -7.798   5.013  -0.274  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -9.323   7.819   2.513  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -7.858   7.482   0.492  1.00  0.91           H  
ATOM    448  N   CYS A  27     -10.016   0.648   3.427  1.00  0.63           N  
ATOM    449  CA  CYS A  27     -10.753  -0.592   3.605  1.00  0.72           C  
ATOM    450  C   CYS A  27     -12.169  -0.289   4.080  1.00  1.07           C  
ATOM    451  O   CYS A  27     -12.530  -0.557   5.224  1.00  1.52           O  
ATOM    452  CB  CYS A  27     -10.050  -1.495   4.619  1.00  0.83           C  
ATOM    453  SG  CYS A  27      -8.350  -1.967   4.162  1.00  1.10           S  
ATOM    454  H   CYS A  27      -9.784   1.179   4.218  1.00  0.68           H  
ATOM    455  HA  CYS A  27     -10.798  -1.096   2.651  1.00  0.61           H  
ATOM    456  HB2 CYS A  27     -10.002  -0.984   5.568  1.00  1.38           H  
ATOM    457  HB3 CYS A  27     -10.622  -2.404   4.735  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -12.968   0.285   3.202  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -12.616   0.471   2.306  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -13.880   0.503   3.482  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
MODEL        6                                                                  
ATOM      1  N   ASN A   1      12.594  -6.706   2.168  1.00  2.83           N  
ATOM      2  CA  ASN A   1      11.169  -6.843   1.795  1.00  2.53           C  
ATOM      3  C   ASN A   1      10.811  -5.798   0.754  1.00  1.75           C  
ATOM      4  O   ASN A   1      11.337  -4.689   0.781  1.00  1.89           O  
ATOM      5  CB  ASN A   1      10.269  -6.669   3.022  1.00  3.29           C  
ATOM      6  CG  ASN A   1      10.604  -7.635   4.139  1.00  4.23           C  
ATOM      7  OD1 ASN A   1      11.087  -8.738   3.896  1.00  4.58           O  
ATOM      8  ND2 ASN A   1      10.357  -7.223   5.374  1.00  4.97           N  
ATOM      9  H1  ASN A   1      13.195  -6.819   1.328  1.00  3.33           H  
ATOM     10  H2  ASN A   1      12.857  -7.430   2.866  1.00  3.20           H  
ATOM     11  H3  ASN A   1      12.768  -5.766   2.578  1.00  2.74           H  
ATOM     12  HA  ASN A   1      11.017  -7.826   1.376  1.00  2.86           H  
ATOM     13  HB2 ASN A   1      10.377  -5.665   3.398  1.00  3.24           H  
ATOM     14  HB3 ASN A   1       9.241  -6.828   2.731  1.00  3.69           H  
ATOM     15 HD21 ASN A   1       9.974  -6.325   5.498  1.00  4.96           H  
ATOM     16 HD22 ASN A   1      10.565  -7.831   6.116  1.00  5.67           H  
ATOM     17  N   ASP A   2       9.928  -6.149  -0.166  1.00  1.32           N  
ATOM     18  CA  ASP A   2       9.482  -5.206  -1.179  1.00  0.96           C  
ATOM     19  C   ASP A   2       8.040  -4.823  -0.922  1.00  0.74           C  
ATOM     20  O   ASP A   2       7.113  -5.458  -1.429  1.00  0.80           O  
ATOM     21  CB  ASP A   2       9.628  -5.784  -2.589  1.00  1.49           C  
ATOM     22  CG  ASP A   2      11.073  -5.975  -2.995  1.00  2.21           C  
ATOM     23  OD1 ASP A   2      11.635  -7.055  -2.720  1.00  2.88           O  
ATOM     24  OD2 ASP A   2      11.655  -5.047  -3.601  1.00  2.65           O1-
ATOM     25  H   ASP A   2       9.557  -7.058  -0.163  1.00  1.67           H  
ATOM     26  HA  ASP A   2      10.095  -4.321  -1.097  1.00  1.19           H  
ATOM     27  HB2 ASP A   2       9.132  -6.741  -2.632  1.00  1.81           H  
ATOM     28  HB3 ASP A   2       9.161  -5.112  -3.294  1.00  2.06           H  
HETATM   29  N   B3K A   3       7.848  -3.806  -0.096  1.00  0.63           N  
HETATM   30  CA  B3K A   3       6.515  -3.350   0.234  1.00  0.56           C  
HETATM   31  CG  B3K A   3       6.336  -3.309   1.755  1.00  0.70           C  
HETATM   32  CD  B3K A   3       6.597  -4.645   2.438  1.00  0.81           C  
HETATM   33  CE  B3K A   3       6.375  -4.556   3.941  1.00  1.07           C  
HETATM   34  CF  B3K A   3       6.756  -5.850   4.647  1.00  1.41           C  
HETATM   35  NZ  B3K A   3       5.927  -7.001   4.201  1.00  1.88           N  
HETATM   36  CB  B3K A   3       6.249  -1.959  -0.330  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.021  -1.932  -1.213  1.00  0.52           C  
HETATM   38  O   B3K A   3       3.909  -2.249  -0.772  1.00  0.53           O  
HETATM   39  H   B3K A   3       8.626  -3.353   0.296  1.00  0.74           H  
HETATM   40  HA  B3K A   3       5.816  -4.051  -0.213  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       5.326  -3.007   1.977  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       7.018  -2.581   2.166  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       7.618  -4.941   2.250  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       5.925  -5.384   2.030  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       5.332  -4.349   4.127  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       6.978  -3.753   4.336  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       6.625  -5.715   5.710  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       7.794  -6.067   4.440  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3       6.200  -7.861   4.721  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3       6.064  -7.173   3.185  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       6.100  -1.270   0.487  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       7.100  -1.641  -0.916  1.00  0.56           H  
ATOM     53  N   CYS A   4       5.230  -1.573  -2.472  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.160  -1.534  -3.454  1.00  0.57           C  
ATOM     55  C   CYS A   4       3.844  -2.933  -3.967  1.00  0.56           C  
ATOM     56  O   CYS A   4       2.765  -3.176  -4.503  1.00  0.78           O  
ATOM     57  CB  CYS A   4       4.537  -0.623  -4.622  1.00  0.62           C  
ATOM     58  SG  CYS A   4       4.662   1.143  -4.188  1.00  1.29           S  
ATOM     59  H   CYS A   4       6.137  -1.324  -2.751  1.00  0.55           H  
ATOM     60  HA  CYS A   4       3.282  -1.136  -2.969  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       5.495  -0.931  -5.011  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       3.793  -0.721  -5.398  1.00  1.09           H  
ATOM     63  N   LYS A   5       4.792  -3.848  -3.819  1.00  0.45           N  
ATOM     64  CA  LYS A   5       4.573  -5.229  -4.220  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.809  -5.981  -3.137  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.594  -6.162  -3.232  1.00  0.35           O  
ATOM     67  CB  LYS A   5       5.900  -5.930  -4.516  1.00  0.57           C  
ATOM     68  CG  LYS A   5       6.686  -5.305  -5.656  1.00  0.70           C  
ATOM     69  CD  LYS A   5       7.981  -6.059  -5.925  1.00  1.19           C  
ATOM     70  CE  LYS A   5       7.712  -7.479  -6.400  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       8.967  -8.237  -6.646  1.00  2.67           N1+
ATOM     72  H   LYS A   5       5.660  -3.588  -3.438  1.00  0.48           H  
ATOM     73  HA  LYS A   5       3.975  -5.218  -5.120  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       6.514  -5.902  -3.628  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       5.700  -6.961  -4.768  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       6.080  -5.322  -6.548  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       6.922  -4.284  -5.400  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       8.539  -5.535  -6.685  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       8.558  -6.098  -5.014  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       7.138  -7.993  -5.645  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       7.142  -7.436  -7.315  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5       9.512  -8.331  -5.767  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5       9.553  -7.748  -7.351  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5       8.744  -9.187  -7.004  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.516  -6.396  -2.093  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.897  -7.125  -1.005  1.00  0.30           C  
HETATM   87  CG  B3E A   6       4.525  -8.518  -0.889  1.00  0.49           C  
HETATM   88  CD  B3E A   6       4.530  -9.299  -2.195  1.00  0.97           C  
HETATM   89  CE  B3E A   6       5.266 -10.617  -2.085  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       6.516 -10.613  -2.146  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       4.601 -11.667  -1.947  1.00  1.43           O  
HETATM   92  CB  B3E A   6       4.109  -6.405   0.324  1.00  0.35           C  
HETATM   93  C   B3E A   6       2.814  -5.989   0.980  1.00  0.38           C  
HETATM   94  O   B3E A   6       2.044  -6.821   1.466  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.479  -6.193  -2.051  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.827  -7.187  -1.221  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       3.974  -9.089  -0.158  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       5.545  -8.414  -0.555  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       5.006  -8.700  -2.956  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       3.509  -9.499  -2.484  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       4.635  -7.064   0.998  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.702  -5.522   0.157  1.00  0.37           H  
ATOM    103  N   LEU A   7       2.574  -4.683   0.997  1.00  0.40           N  
ATOM    104  CA  LEU A   7       1.366  -4.142   1.591  1.00  0.51           C  
ATOM    105  C   LEU A   7       0.205  -4.277   0.626  1.00  0.54           C  
ATOM    106  O   LEU A   7      -0.879  -4.706   1.021  1.00  0.63           O  
ATOM    107  CB  LEU A   7       1.560  -2.675   1.984  1.00  0.62           C  
ATOM    108  CG  LEU A   7       2.641  -2.418   3.038  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       2.796  -0.928   3.291  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       2.316  -3.144   4.334  1.00  0.89           C  
ATOM    111  H   LEU A   7       3.224  -4.070   0.591  1.00  0.37           H  
ATOM    112  HA  LEU A   7       1.145  -4.718   2.474  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       1.815  -2.117   1.095  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       0.624  -2.301   2.366  1.00  0.77           H  
ATOM    115  HG  LEU A   7       3.583  -2.792   2.673  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       3.552  -0.767   4.044  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       1.855  -0.520   3.631  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       3.091  -0.437   2.374  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       1.341  -2.842   4.682  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       3.057  -2.896   5.079  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       2.324  -4.210   4.163  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.455  -3.932  -0.641  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.565  -4.013  -1.679  1.00  0.62           C  
ATOM    124  C   LYS A   8      -1.244  -5.368  -1.640  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.419  -5.471  -1.295  1.00  0.75           O  
ATOM    126  CB  LYS A   8       0.048  -3.762  -3.057  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -0.958  -3.842  -4.194  1.00  0.90           C  
ATOM    128  CD  LYS A   8      -0.331  -3.459  -5.520  1.00  1.14           C  
ATOM    129  CE  LYS A   8      -1.345  -3.503  -6.647  1.00  1.72           C  
ATOM    130  NZ  LYS A   8      -0.762  -3.051  -7.935  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.349  -3.618  -0.881  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -1.299  -3.251  -1.476  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.496  -2.780  -3.068  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       0.816  -4.500  -3.235  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -1.328  -4.853  -4.262  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -1.776  -3.171  -3.984  1.00  1.35           H  
ATOM    137  HD2 LYS A   8       0.065  -2.458  -5.444  1.00  1.64           H  
ATOM    138  HD3 LYS A   8       0.470  -4.150  -5.740  1.00  1.57           H  
ATOM    139  HE2 LYS A   8      -1.696  -4.518  -6.759  1.00  2.39           H  
ATOM    140  HE3 LYS A   8      -2.176  -2.862  -6.394  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8      -1.471  -3.117  -8.692  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8       0.051  -3.648  -8.188  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8      -0.442  -2.067  -7.859  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.504  -6.412  -1.970  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -1.061  -7.739  -1.924  1.00  0.57           C  
HETATM  146  CG  B3K A   9      -0.817  -8.471  -3.249  1.00  0.76           C  
HETATM  147  CD  B3K A   9       0.647  -8.550  -3.657  1.00  1.37           C  
HETATM  148  CE  B3K A   9       0.815  -9.231  -5.007  1.00  1.57           C  
HETATM  149  CF  B3K A   9       0.079  -8.481  -6.107  1.00  2.17           C  
HETATM  150  NZ  B3K A   9       0.225  -9.148  -7.426  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.435  -8.545  -0.791  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.437  -8.867   0.289  1.00  0.43           C  
HETATM  153  O   B3K A   9      -2.183  -9.841   0.196  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.430  -6.281  -2.247  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -2.135  -7.616  -1.726  1.00  0.62           H  
HETATM  156  HG2 B3K A   9      -1.358  -7.958  -4.029  1.00  1.17           H  
HETATM  157  HG3 B3K A   9      -1.197  -9.477  -3.165  1.00  1.48           H  
HETATM  158  HD2 B3K A   9       1.189  -9.112  -2.910  1.00  2.13           H  
HETATM  159  HD3 B3K A   9       1.049  -7.549  -3.717  1.00  1.86           H  
HETATM  160  HE2 B3K A   9       0.425 -10.236  -4.942  1.00  2.04           H  
HETATM  161  HE3 B3K A   9       1.867  -9.267  -5.252  1.00  1.90           H  
HETATM  162  HF1 B3K A   9       0.477  -7.480  -6.174  1.00  2.47           H  
HETATM  163  HF2 B3K A   9      -0.969  -8.435  -5.855  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9      -0.314  -8.630  -8.149  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9      -0.134 -10.122  -7.376  1.00  3.36           H  
HETATM  166  HB1 B3K A   9      -0.051  -9.472  -1.190  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.375  -7.979  -0.351  1.00  0.45           H  
ATOM    168  N   ARG A  10      -1.462  -8.028   1.318  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -2.398  -8.202   2.419  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.693  -7.447   2.146  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.781  -7.929   2.452  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -1.792  -7.708   3.736  1.00  0.54           C  
ATOM    173  CG  ARG A  10      -0.431  -8.304   4.057  1.00  0.96           C  
ATOM    174  CD  ARG A  10      -0.019  -8.025   5.496  1.00  1.33           C  
ATOM    175  NE  ARG A  10      -0.171  -6.612   5.864  1.00  1.88           N  
ATOM    176  CZ  ARG A  10       0.750  -5.910   6.529  1.00  2.80           C  
ATOM    177  NH1 ARG A  10       1.913  -6.466   6.846  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10       0.510  -4.649   6.879  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.837  -7.272   1.335  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -2.618  -9.254   2.504  1.00  0.53           H  
ATOM    181  HB2 ARG A  10      -1.685  -6.635   3.687  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -2.467  -7.954   4.539  1.00  1.03           H  
ATOM    183  HG2 ARG A  10      -0.472  -9.373   3.908  1.00  1.46           H  
ATOM    184  HG3 ARG A  10       0.305  -7.875   3.394  1.00  1.60           H  
ATOM    185  HD2 ARG A  10      -0.631  -8.625   6.152  1.00  1.90           H  
ATOM    186  HD3 ARG A  10       1.017  -8.307   5.618  1.00  1.74           H  
ATOM    187  HE  ARG A  10      -1.022  -6.175   5.627  1.00  2.07           H  
ATOM    188 HH11 ARG A  10       2.604  -5.938   7.345  1.00  4.18           H  
ATOM    189 HH12 ARG A  10       2.105  -7.417   6.592  1.00  3.23           H  
ATOM    190 HH21 ARG A  10       1.207  -4.123   7.379  1.00  4.28           H  
ATOM    191 HH22 ARG A  10      -0.371  -4.216   6.656  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.569  -6.272   1.544  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.713  -5.395   1.333  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.305  -5.591  -0.059  1.00  0.33           C  
ATOM    195  O   TYR A  11      -5.867  -4.664  -0.640  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -4.293  -3.935   1.525  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -3.629  -3.661   2.858  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.218  -4.065   4.048  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.412  -2.993   2.924  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -3.614  -3.814   5.265  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -1.803  -2.738   4.134  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -2.406  -3.150   5.302  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -1.795  -2.903   6.510  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.688  -5.987   1.222  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.463  -5.645   2.068  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.597  -3.664   0.745  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -5.167  -3.308   1.454  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.163  -4.585   4.015  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -1.939  -2.672   2.007  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -4.086  -4.136   6.179  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -0.860  -2.216   4.164  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -1.572  -1.963   6.569  1.00  1.30           H  
HETATM  213  N   AIB A  12      -5.195  -6.819  -0.564  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.690  -7.183  -1.900  1.00  0.54           C  
HETATM  215  C   AIB A  12      -7.166  -6.793  -2.054  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.600  -6.370  -3.128  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -5.537  -8.676  -2.101  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -4.861  -6.500  -2.971  1.00  0.69           C  
HETATM  219  H   AIB A  12      -4.759  -7.505  -0.020  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -6.155  -9.199  -1.388  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -4.504  -8.955  -1.956  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -5.844  -8.937  -3.104  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -3.825  -6.784  -2.861  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -4.953  -5.430  -2.867  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -5.215  -6.799  -3.946  1.00  1.24           H  
ATOM    226  N   GLY A  13      -7.930  -6.926  -0.979  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.347  -6.622  -1.033  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.665  -5.198  -0.620  1.00  0.45           C  
ATOM    229  O   GLY A  13     -10.794  -4.894  -0.232  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.531  -7.238  -0.141  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.696  -6.778  -2.042  1.00  0.50           H  
ATOM    232  HA3 GLY A  13      -9.870  -7.299  -0.377  1.00  0.55           H  
ATOM    233  N   CYS A  14      -8.674  -4.324  -0.693  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -8.853  -2.923  -0.346  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.203  -2.048  -1.412  1.00  0.27           C  
ATOM    236  O   CYS A  14      -7.493  -2.554  -2.284  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -8.219  -2.647   1.020  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -8.735  -3.811   2.333  1.00  0.86           S  
ATOM    239  H   CYS A  14      -7.787  -4.630  -0.986  1.00  0.27           H  
ATOM    240  HA  CYS A  14      -9.912  -2.713  -0.305  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -7.146  -2.712   0.926  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -8.486  -1.650   1.339  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.451  -0.746  -1.360  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -7.807   0.178  -2.281  1.00  0.34           C  
ATOM    245  C   GLU A  15      -6.432   0.544  -1.745  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.298   0.868  -0.566  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -8.634   1.452  -2.473  1.00  0.45           C  
ATOM    248  CG  GLU A  15     -10.033   1.218  -3.012  1.00  0.46           C  
ATOM    249  CD  GLU A  15     -10.711   2.508  -3.423  1.00  1.31           C  
ATOM    250  OE1 GLU A  15     -10.850   3.414  -2.573  1.00  2.00           O  
ATOM    251  OE2 GLU A  15     -11.107   2.627  -4.601  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.066  -0.394  -0.678  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -7.695  -0.322  -3.232  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -8.723   1.952  -1.520  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.112   2.103  -3.159  1.00  0.59           H  
ATOM    256  HG2 GLU A  15      -9.972   0.569  -3.872  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -10.625   0.746  -2.245  1.00  0.96           H  
HETATM  258  N   MVA A  16      -5.394   0.519  -2.588  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -5.637   0.266  -4.030  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.032   0.783  -2.095  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.299  -0.524  -1.677  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -3.261  -1.549  -2.801  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -1.890  -0.214  -1.184  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.183   1.580  -3.092  1.00  0.33           C  
HETATM  265  O   MVA A  16      -2.826   1.114  -4.179  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -4.740   0.485  -4.589  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -6.440   0.898  -4.376  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -5.905  -0.770  -4.175  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.104   1.390  -1.202  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -3.846  -0.962  -0.854  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -2.806  -2.459  -2.443  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -2.684  -1.157  -3.625  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -4.268  -1.756  -3.133  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -1.326   0.251  -1.980  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -1.402  -1.130  -0.885  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -1.942   0.460  -0.341  1.00  1.04           H  
ATOM    277  N   ARG A  17      -2.863   2.796  -2.687  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -2.129   3.731  -3.519  1.00  0.46           C  
ATOM    279  C   ARG A  17      -0.820   4.104  -2.841  1.00  0.44           C  
ATOM    280  O   ARG A  17      -0.805   4.849  -1.863  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -2.979   4.979  -3.757  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -4.244   4.710  -4.558  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -5.293   5.796  -4.344  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -4.755   7.141  -4.545  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -5.495   8.200  -4.873  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -6.801   8.068  -5.089  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -4.924   9.392  -4.988  1.00  3.60           N  
ATOM    288  H   ARG A  17      -3.111   3.069  -1.777  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -1.919   3.253  -4.462  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -3.262   5.394  -2.802  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -2.387   5.703  -4.292  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -3.992   4.670  -5.607  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -4.656   3.759  -4.251  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -6.103   5.637  -5.040  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -5.671   5.718  -3.334  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -3.788   7.265  -4.409  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -7.239   7.169  -5.008  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -7.355   8.867  -5.332  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -5.473  10.195  -5.234  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -3.938   9.499  -4.822  1.00  3.84           H  
ATOM    301  N   CYS A  18       0.272   3.568  -3.344  1.00  0.49           N  
ATOM    302  CA  CYS A  18       1.567   3.791  -2.733  1.00  0.49           C  
ATOM    303  C   CYS A  18       2.329   4.899  -3.456  1.00  0.50           C  
ATOM    304  O   CYS A  18       2.421   4.910  -4.685  1.00  0.67           O  
ATOM    305  CB  CYS A  18       2.379   2.497  -2.725  1.00  0.62           C  
ATOM    306  SG  CYS A  18       2.756   1.819  -4.374  1.00  1.54           S  
ATOM    307  H   CYS A  18       0.208   3.014  -4.151  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.395   4.098  -1.713  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       3.317   2.674  -2.223  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       1.824   1.746  -2.182  1.00  1.05           H  
ATOM    311  N   ASP A  19       2.855   5.835  -2.685  1.00  0.47           N  
ATOM    312  CA  ASP A  19       3.633   6.940  -3.221  1.00  0.61           C  
ATOM    313  C   ASP A  19       4.990   6.986  -2.534  1.00  0.55           C  
ATOM    314  O   ASP A  19       5.173   7.707  -1.548  1.00  0.58           O  
ATOM    315  CB  ASP A  19       2.899   8.273  -3.027  1.00  0.81           C  
ATOM    316  CG  ASP A  19       1.744   8.461  -3.993  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       0.596   8.101  -3.647  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       1.977   8.977  -5.107  1.00  1.37           O1-
ATOM    319  H   ASP A  19       2.735   5.773  -1.710  1.00  0.47           H  
ATOM    320  HA  ASP A  19       3.777   6.765  -4.276  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       2.508   8.314  -2.021  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       3.598   9.083  -3.168  1.00  0.85           H  
HETATM  323  N   DPR A  20       5.959   6.207  -3.036  1.00  0.55           N  
HETATM  324  CA  DPR A  20       7.278   6.085  -2.413  1.00  0.55           C  
HETATM  325  CB  DPR A  20       8.052   5.151  -3.348  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.291   5.157  -4.628  1.00  0.78           C  
HETATM  327  CD  DPR A  20       5.856   5.389  -4.255  1.00  0.65           C  
HETATM  328  C   DPR A  20       7.181   5.484  -1.011  1.00  0.42           C  
HETATM  329  O   DPR A  20       6.686   4.369  -0.835  1.00  0.42           O  
HETATM  330  HA  DPR A  20       7.782   7.035  -2.364  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       8.089   4.162  -2.919  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       9.054   5.527  -3.484  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       7.399   4.205  -5.125  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       7.648   5.956  -5.263  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.361   4.452  -4.050  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       5.346   5.925  -5.039  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.639   6.227   0.007  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.585   5.781   1.400  1.00  0.50           C  
ATOM    339  C   PRO A  21       6.183   5.886   1.996  1.00  0.49           C  
ATOM    340  O   PRO A  21       5.946   5.465   3.127  1.00  0.54           O  
ATOM    341  CB  PRO A  21       8.533   6.744   2.109  1.00  0.65           C  
ATOM    342  CG  PRO A  21       8.474   7.991   1.299  1.00  0.69           C  
ATOM    343  CD  PRO A  21       8.266   7.554  -0.126  1.00  0.58           C  
ATOM    344  HA  PRO A  21       7.947   4.770   1.505  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       8.190   6.911   3.120  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       9.530   6.331   2.125  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       7.646   8.602   1.626  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       9.402   8.534   1.392  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       7.609   8.240  -0.639  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       9.213   7.481  -0.640  1.00  0.59           H  
ATOM    351  N   ARG A  22       5.259   6.452   1.233  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.900   6.651   1.708  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.973   5.619   1.097  1.00  0.39           C  
ATOM    354  O   ARG A  22       3.064   5.320  -0.090  1.00  0.44           O  
ATOM    355  CB  ARG A  22       3.422   8.060   1.368  1.00  0.67           C  
ATOM    356  CG  ARG A  22       4.310   9.149   1.941  1.00  0.83           C  
ATOM    357  CD  ARG A  22       4.413   9.055   3.454  1.00  0.97           C  
ATOM    358  NE  ARG A  22       5.382  10.006   3.993  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       5.738  10.060   5.276  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       5.171   9.251   6.161  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22       6.653  10.935   5.673  1.00  3.38           N  
ATOM    362  H   ARG A  22       5.494   6.728   0.321  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.902   6.526   2.780  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       3.400   8.171   0.294  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       2.424   8.196   1.756  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       5.298   9.049   1.519  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       3.898  10.110   1.676  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       3.444   9.261   3.883  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       4.719   8.054   3.722  1.00  1.53           H  
ATOM    370  HE  ARG A  22       5.802  10.631   3.354  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       5.439   9.289   7.126  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       4.464   8.602   5.871  1.00  1.29           H  
ATOM    373 HH21 ARG A  22       6.925  10.980   6.637  1.00  3.77           H  
ATOM    374 HH22 ARG A  22       7.075  11.560   5.009  1.00  3.90           H  
ATOM    375  N   TYR A  23       2.089   5.071   1.907  1.00  0.40           N  
ATOM    376  CA  TYR A  23       1.190   4.028   1.446  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.240   4.326   1.856  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.563   4.340   3.044  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.616   2.671   2.007  1.00  0.55           C  
ATOM    380  CG  TYR A  23       3.043   2.305   1.677  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       4.074   2.586   2.563  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       3.360   1.686   0.477  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       5.380   2.259   2.262  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       4.662   1.354   0.168  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       5.668   1.644   1.063  1.00  0.66           C  
ATOM    386  OH  TYR A  23       6.969   1.316   0.759  1.00  0.74           O  
ATOM    387  H   TYR A  23       2.039   5.372   2.840  1.00  0.52           H  
ATOM    388  HA  TYR A  23       1.245   3.992   0.368  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.517   2.687   3.082  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       0.973   1.905   1.600  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       3.845   3.068   3.501  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       2.568   1.463  -0.221  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       6.166   2.485   2.964  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       4.887   0.873  -0.771  1.00  0.70           H  
ATOM    395  HH  TYR A  23       7.398   0.966   1.549  1.00  1.09           H  
ATOM    396  N   GLU A  24      -1.087   4.583   0.878  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.497   4.786   1.138  1.00  0.23           C  
ATOM    398  C   GLU A  24      -3.236   3.461   1.054  1.00  0.27           C  
ATOM    399  O   GLU A  24      -3.064   2.715   0.093  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -3.116   5.763   0.140  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -2.736   7.213   0.361  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -3.524   8.142  -0.534  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -4.743   8.301  -0.309  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -2.924   8.728  -1.466  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -0.758   4.627  -0.046  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.598   5.185   2.134  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -2.803   5.483  -0.853  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -4.191   5.682   0.201  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -2.930   7.473   1.391  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -1.684   7.337   0.150  1.00  1.43           H  
HETATM  411  N   MVA A  25      -4.081   3.155   2.043  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.238   4.093   3.179  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -4.878   1.923   1.994  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -4.209   0.732   2.741  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -3.851   1.062   4.181  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -5.109  -0.495   2.681  1.00  0.36           C  
HETATM  417  C   MVA A  25      -6.296   2.166   2.509  1.00  0.32           C  
HETATM  418  O   MVA A  25      -6.566   2.213   3.713  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -3.308   4.163   3.721  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -5.014   3.730   3.839  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -4.512   5.068   2.806  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -4.978   1.622   0.958  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -3.292   0.489   2.223  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -3.137   1.872   4.197  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -3.419   0.193   4.653  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -4.742   1.357   4.715  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -6.051  -0.273   3.160  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -4.630  -1.319   3.190  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -5.285  -0.761   1.649  1.00  1.18           H  
ATOM    430  N   HIS A  26      -7.197   2.330   1.560  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -8.572   2.682   1.850  1.00  0.48           C  
ATOM    432  C   HIS A  26      -9.453   1.459   1.655  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.597   0.955   0.543  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.033   3.827   0.942  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -8.174   5.060   1.031  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -8.189   5.917   2.112  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -7.258   5.569   0.168  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -7.324   6.897   1.910  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -6.746   6.708   0.739  1.00  0.77           N  
ATOM    440  H   HIS A  26      -6.934   2.171   0.625  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -8.628   2.997   2.880  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.023   3.488  -0.083  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.039   4.103   1.212  1.00  0.67           H  
ATOM    444  HD1 HIS A  26      -8.752   5.820   2.914  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -6.986   5.157  -0.792  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -7.122   7.711   2.589  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -6.041   7.286   0.349  1.00  0.91           H  
ATOM    448  N   CYS A  27     -10.015   0.965   2.738  1.00  0.63           N  
ATOM    449  CA  CYS A  27     -10.770  -0.271   2.690  1.00  0.72           C  
ATOM    450  C   CYS A  27     -12.183  -0.057   3.219  1.00  1.07           C  
ATOM    451  O   CYS A  27     -12.442  -0.179   4.414  1.00  1.52           O  
ATOM    452  CB  CYS A  27     -10.050  -1.345   3.505  1.00  0.83           C  
ATOM    453  SG  CYS A  27     -10.483  -3.051   3.034  1.00  1.10           S  
ATOM    454  H   CYS A  27      -9.923   1.442   3.590  1.00  0.68           H  
ATOM    455  HA  CYS A  27     -10.823  -0.590   1.661  1.00  0.61           H  
ATOM    456  HB2 CYS A  27      -8.985  -1.230   3.375  1.00  1.38           H  
ATOM    457  HB3 CYS A  27     -10.295  -1.217   4.548  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -13.094   0.281   2.323  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -12.817   0.362   1.384  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -14.009   0.438   2.631  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
MODEL        7                                                                  
ATOM      1  N   ASN A   1      12.752  -4.469   0.714  1.00  2.83           N  
ATOM      2  CA  ASN A   1      12.322  -3.888  -0.580  1.00  2.53           C  
ATOM      3  C   ASN A   1      11.092  -4.611  -1.117  1.00  1.75           C  
ATOM      4  O   ASN A   1      10.458  -4.150  -2.070  1.00  1.89           O  
ATOM      5  CB  ASN A   1      13.455  -3.970  -1.610  1.00  3.29           C  
ATOM      6  CG  ASN A   1      13.795  -5.398  -1.995  1.00  4.23           C  
ATOM      7  OD1 ASN A   1      13.211  -5.960  -2.921  1.00  4.58           O  
ATOM      8  ND2 ASN A   1      14.749  -5.995  -1.295  1.00  4.97           N  
ATOM      9  H1  ASN A   1      11.966  -4.444   1.397  1.00  3.33           H  
ATOM     10  H2  ASN A   1      13.546  -3.922   1.104  1.00  3.20           H  
ATOM     11  H3  ASN A   1      13.055  -5.453   0.587  1.00  2.74           H  
ATOM     12  HA  ASN A   1      12.069  -2.851  -0.416  1.00  2.86           H  
ATOM     13  HB2 ASN A   1      13.159  -3.439  -2.501  1.00  3.24           H  
ATOM     14  HB3 ASN A   1      14.339  -3.507  -1.198  1.00  3.69           H  
ATOM     15 HD21 ASN A   1      15.185  -5.490  -0.573  1.00  4.96           H  
ATOM     16 HD22 ASN A   1      14.984  -6.920  -1.528  1.00  5.67           H  
ATOM     17  N   ASP A   2      10.757  -5.742  -0.505  1.00  1.32           N  
ATOM     18  CA  ASP A   2       9.599  -6.527  -0.922  1.00  0.96           C  
ATOM     19  C   ASP A   2       8.309  -5.873  -0.444  1.00  0.74           C  
ATOM     20  O   ASP A   2       7.235  -6.091  -1.012  1.00  0.80           O  
ATOM     21  CB  ASP A   2       9.688  -7.961  -0.383  1.00  1.49           C  
ATOM     22  CG  ASP A   2      10.810  -8.768  -1.014  1.00  2.21           C  
ATOM     23  OD1 ASP A   2      10.539  -9.531  -1.964  1.00  2.88           O  
ATOM     24  OD2 ASP A   2      11.967  -8.663  -0.551  1.00  2.65           O1-
ATOM     25  H   ASP A   2      11.301  -6.061   0.247  1.00  1.67           H  
ATOM     26  HA  ASP A   2       9.592  -6.557  -2.002  1.00  1.19           H  
ATOM     27  HB2 ASP A   2       9.854  -7.927   0.683  1.00  1.81           H  
ATOM     28  HB3 ASP A   2       8.754  -8.466  -0.578  1.00  2.06           H  
HETATM   29  N   B3K A   3       8.419  -5.059   0.601  1.00  0.63           N  
HETATM   30  CA  B3K A   3       7.266  -4.368   1.146  1.00  0.56           C  
HETATM   31  CG  B3K A   3       7.254  -4.461   2.672  1.00  0.70           C  
HETATM   32  CD  B3K A   3       7.205  -5.884   3.194  1.00  0.81           C  
HETATM   33  CE  B3K A   3       7.164  -5.914   4.709  1.00  1.07           C  
HETATM   34  CF  B3K A   3       7.162  -7.338   5.235  1.00  1.41           C  
HETATM   35  NZ  B3K A   3       5.987  -8.110   4.750  1.00  1.88           N  
HETATM   36  CB  B3K A   3       7.273  -2.895   0.750  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.992  -2.491   0.061  1.00  0.52           C  
HETATM   38  O   B3K A   3       4.893  -2.770   0.547  1.00  0.53           O  
HETATM   39  H   B3K A   3       9.301  -4.919   1.010  1.00  0.74           H  
HETATM   40  HA  B3K A   3       6.380  -4.842   0.731  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       6.389  -3.933   3.046  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       8.146  -3.989   3.058  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       8.083  -6.414   2.855  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       6.319  -6.368   2.811  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       6.267  -5.415   5.045  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       8.032  -5.400   5.095  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       7.140  -7.308   6.313  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       8.065  -7.832   4.908  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3       6.029  -9.085   5.105  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3       5.976  -8.134   3.711  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       7.390  -2.293   1.637  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       8.099  -2.709   0.077  1.00  0.56           H  
ATOM     53  N   CYS A   4       6.133  -1.849  -1.086  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.985  -1.461  -1.880  1.00  0.57           C  
ATOM     55  C   CYS A   4       4.373  -2.697  -2.520  1.00  0.56           C  
ATOM     56  O   CYS A   4       3.158  -2.877  -2.475  1.00  0.78           O  
ATOM     57  CB  CYS A   4       5.388  -0.439  -2.952  1.00  0.62           C  
ATOM     58  SG  CYS A   4       3.985   0.282  -3.865  1.00  1.29           S  
ATOM     59  H   CYS A   4       7.033  -1.638  -1.409  1.00  0.55           H  
ATOM     60  HA  CYS A   4       4.259  -1.018  -1.220  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       5.922   0.371  -2.483  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       6.035  -0.919  -3.672  1.00  1.09           H  
ATOM     63  N   LYS A   5       5.234  -3.568  -3.063  1.00  0.45           N  
ATOM     64  CA  LYS A   5       4.792  -4.794  -3.733  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.841  -5.573  -2.832  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.626  -5.600  -3.062  1.00  0.35           O  
ATOM     67  CB  LYS A   5       5.996  -5.670  -4.100  1.00  0.57           C  
ATOM     68  CG  LYS A   5       7.026  -4.982  -4.984  1.00  0.70           C  
ATOM     69  CD  LYS A   5       6.458  -4.629  -6.348  1.00  1.19           C  
ATOM     70  CE  LYS A   5       7.507  -3.983  -7.241  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       8.039  -2.724  -6.656  1.00  2.67           N1+
ATOM     72  H   LYS A   5       6.196  -3.386  -2.998  1.00  0.48           H  
ATOM     73  HA  LYS A   5       4.269  -4.513  -4.634  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       6.488  -5.980  -3.190  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       5.639  -6.546  -4.619  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       7.352  -4.076  -4.500  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       7.869  -5.643  -5.116  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       6.101  -5.530  -6.824  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       5.637  -3.941  -6.217  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       8.323  -4.676  -7.377  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       7.060  -3.764  -8.200  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5       8.739  -2.301  -7.294  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5       8.495  -2.915  -5.741  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5       7.267  -2.040  -6.509  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.390  -6.196  -1.798  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.579  -6.932  -0.867  1.00  0.30           C  
HETATM   87  CG  B3E A   6       3.993  -8.411  -0.857  1.00  0.49           C  
HETATM   88  CD  B3E A   6       3.113  -9.291   0.020  1.00  0.97           C  
HETATM   89  CE  B3E A   6       3.573 -10.735   0.049  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       4.511 -11.050   0.813  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       3.004 -11.563  -0.695  1.00  1.43           O  
HETATM   92  CB  B3E A   6       3.755  -6.374   0.541  1.00  0.35           C  
HETATM   93  C   B3E A   6       2.516  -5.685   1.054  1.00  0.38           C  
HETATM   94  O   B3E A   6       1.528  -6.327   1.424  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.365  -6.151  -1.663  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.537  -6.799  -1.187  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       5.008  -8.483  -0.499  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       3.949  -8.789  -1.867  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       2.104  -9.258  -0.360  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       3.130  -8.906   1.027  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       4.000  -7.181   1.212  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.563  -5.658   0.538  1.00  0.37           H  
ATOM    103  N   LEU A   7       2.561  -4.359   1.054  1.00  0.40           N  
ATOM    104  CA  LEU A   7       1.478  -3.559   1.588  1.00  0.51           C  
ATOM    105  C   LEU A   7       0.388  -3.322   0.550  1.00  0.54           C  
ATOM    106  O   LEU A   7      -0.792  -3.354   0.885  1.00  0.63           O  
ATOM    107  CB  LEU A   7       2.015  -2.235   2.128  1.00  0.62           C  
ATOM    108  CG  LEU A   7       3.073  -2.380   3.227  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       3.578  -1.021   3.671  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       2.516  -3.150   4.415  1.00  0.89           C  
ATOM    111  H   LEU A   7       3.354  -3.904   0.685  1.00  0.37           H  
ATOM    112  HA  LEU A   7       1.045  -4.112   2.407  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       2.447  -1.682   1.306  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       1.188  -1.669   2.527  1.00  0.77           H  
ATOM    115  HG  LEU A   7       3.913  -2.934   2.835  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       4.325  -1.150   4.440  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       2.756  -0.439   4.059  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       4.016  -0.507   2.827  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       2.264  -4.153   4.109  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       1.632  -2.652   4.784  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       3.259  -3.189   5.198  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.760  -3.089  -0.709  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.249  -2.943  -1.750  1.00  0.62           C  
ATOM    124  C   LYS A   8      -0.963  -4.270  -1.941  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.168  -4.383  -1.718  1.00  0.75           O  
ATOM    126  CB  LYS A   8       0.362  -2.490  -3.076  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -0.676  -2.245  -4.159  1.00  0.90           C  
ATOM    128  CD  LYS A   8      -0.036  -2.046  -5.521  1.00  1.14           C  
ATOM    129  CE  LYS A   8       0.941  -0.883  -5.519  1.00  1.72           C  
ATOM    130  NZ  LYS A   8       1.473  -0.610  -6.876  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.715  -3.022  -0.940  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -0.962  -2.208  -1.415  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.909  -1.573  -2.913  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       1.043  -3.251  -3.425  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -1.337  -3.096  -4.206  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -1.243  -1.362  -3.905  1.00  1.35           H  
ATOM    137  HD2 LYS A   8       0.496  -2.946  -5.793  1.00  1.64           H  
ATOM    138  HD3 LYS A   8      -0.812  -1.851  -6.247  1.00  1.57           H  
ATOM    139  HE2 LYS A   8       0.434  -0.003  -5.156  1.00  2.39           H  
ATOM    140  HE3 LYS A   8       1.762  -1.122  -4.861  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8       0.702  -0.336  -7.515  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8       1.936  -1.462  -7.258  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8       2.170   0.160  -6.840  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.205  -5.280  -2.342  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -0.759  -6.597  -2.539  1.00  0.57           C  
HETATM  146  CG  B3K A   9      -0.462  -7.076  -3.967  1.00  0.76           C  
HETATM  147  CD  B3K A   9      -0.935  -6.117  -5.048  1.00  1.37           C  
HETATM  148  CE  B3K A   9      -0.493  -6.577  -6.429  1.00  1.57           C  
HETATM  149  CF  B3K A   9      -0.940  -5.613  -7.518  1.00  2.17           C  
HETATM  150  NZ  B3K A   9      -2.421  -5.533  -7.616  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.123  -7.589  -1.569  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.088  -8.112  -0.533  1.00  0.43           C  
HETATM  153  O   B3K A   9      -1.969  -8.922  -0.826  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.757  -5.129  -2.508  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -1.838  -6.527  -2.343  1.00  0.62           H  
HETATM  156  HG2 B3K A   9      -0.947  -8.028  -4.124  1.00  1.17           H  
HETATM  157  HG3 B3K A   9       0.605  -7.205  -4.075  1.00  1.48           H  
HETATM  158  HD2 B3K A   9      -0.521  -5.138  -4.855  1.00  2.13           H  
HETATM  159  HD3 B3K A   9      -2.013  -6.065  -5.025  1.00  1.86           H  
HETATM  160  HE2 B3K A   9      -0.918  -7.550  -6.626  1.00  2.04           H  
HETATM  161  HE3 B3K A   9       0.585  -6.644  -6.445  1.00  1.90           H  
HETATM  162  HF1 B3K A   9      -0.543  -5.949  -8.464  1.00  2.47           H  
HETATM  163  HF2 B3K A   9      -0.551  -4.632  -7.293  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9      -2.821  -6.483  -7.753  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9      -2.697  -4.935  -8.419  1.00  3.36           H  
HETATM  166  HB1 B3K A   9       0.263  -8.427  -2.129  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.688  -7.103  -1.053  1.00  0.45           H  
ATOM    168  N   ARG A  10      -0.910  -7.638   0.695  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -1.725  -8.071   1.816  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.103  -7.421   1.771  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.113  -8.059   2.068  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -1.028  -7.719   3.132  1.00  0.54           C  
ATOM    173  CG  ARG A  10      -1.653  -8.376   4.352  1.00  0.96           C  
ATOM    174  CD  ARG A  10      -1.492  -9.889   4.310  1.00  1.33           C  
ATOM    175  NE  ARG A  10      -0.085 -10.290   4.270  1.00  1.88           N  
ATOM    176  CZ  ARG A  10       0.366 -11.372   3.631  1.00  2.80           C  
ATOM    177  NH1 ARG A  10      -0.473 -12.159   2.969  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10       1.660 -11.665   3.654  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.195  -6.980   0.854  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -1.840  -9.140   1.752  1.00  0.53           H  
ATOM    181  HB2 ARG A  10       0.004  -8.028   3.073  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -1.065  -6.647   3.268  1.00  1.03           H  
ATOM    183  HG2 ARG A  10      -1.171  -7.995   5.239  1.00  1.46           H  
ATOM    184  HG3 ARG A  10      -2.705  -8.133   4.378  1.00  1.60           H  
ATOM    185  HD2 ARG A  10      -1.951 -10.310   5.192  1.00  1.90           H  
ATOM    186  HD3 ARG A  10      -1.992 -10.267   3.431  1.00  1.74           H  
ATOM    187  HE  ARG A  10       0.560  -9.719   4.752  1.00  2.07           H  
ATOM    188 HH11 ARG A  10      -0.131 -12.973   2.490  1.00  4.18           H  
ATOM    189 HH12 ARG A  10      -1.452 -11.947   2.942  1.00  3.23           H  
ATOM    190 HH21 ARG A  10       2.001 -12.480   3.175  1.00  4.28           H  
ATOM    191 HH22 ARG A  10       2.306 -11.074   4.145  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.141  -6.154   1.378  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.384  -5.396   1.361  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.092  -5.525   0.019  1.00  0.33           C  
ATOM    195  O   TYR A  11      -5.995  -4.744  -0.283  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -4.120  -3.921   1.660  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -3.672  -3.643   3.079  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.579  -3.631   4.128  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.333  -3.410   3.369  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -4.170  -3.395   5.426  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -1.915  -3.171   4.664  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -2.858  -3.102   5.683  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -2.425  -2.932   6.982  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.314  -5.718   1.083  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.026  -5.797   2.130  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.349  -3.560   0.996  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -5.026  -3.361   1.484  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.626  -3.810   3.920  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -1.614  -3.413   2.564  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -4.895  -3.390   6.226  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -0.870  -2.991   4.868  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -2.819  -3.590   7.569  1.00  1.30           H  
HETATM  213  N   AIB A  12      -4.679  -6.517  -0.769  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.284  -6.791  -2.078  1.00  0.54           C  
HETATM  215  C   AIB A  12      -6.801  -6.962  -1.907  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.263  -7.955  -1.338  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -4.693  -8.059  -2.660  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -4.969  -5.658  -3.044  1.00  0.69           C  
HETATM  219  H   AIB A  12      -3.945  -7.083  -0.462  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -4.899  -8.887  -1.999  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -3.625  -7.942  -2.770  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -5.135  -8.250  -3.625  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -3.898  -5.570  -3.155  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -5.366  -4.733  -2.656  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -5.415  -5.868  -4.003  1.00  1.24           H  
ATOM    226  N   GLY A  13      -7.564  -5.995  -2.391  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.001  -6.007  -2.214  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.495  -4.684  -1.669  1.00  0.45           C  
ATOM    229  O   GLY A  13     -10.600  -4.237  -1.979  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.143  -5.256  -2.880  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.474  -6.197  -3.165  1.00  0.50           H  
ATOM    232  HA3 GLY A  13      -9.264  -6.792  -1.523  1.00  0.55           H  
ATOM    233  N   CYS A  14      -8.660  -4.057  -0.859  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -8.943  -2.743  -0.312  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.522  -1.678  -1.313  1.00  0.27           C  
ATOM    236  O   CYS A  14      -7.878  -1.986  -2.319  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -8.173  -2.555   0.998  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -8.533  -3.817   2.267  1.00  0.86           S  
ATOM    239  H   CYS A  14      -7.811  -4.492  -0.622  1.00  0.27           H  
ATOM    240  HA  CYS A  14     -10.004  -2.667  -0.126  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -7.115  -2.594   0.790  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -8.415  -1.587   1.414  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.894  -0.433  -1.057  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -8.417   0.673  -1.871  1.00  0.34           C  
ATOM    245  C   GLU A  15      -7.008   1.035  -1.432  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.810   1.461  -0.298  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -9.341   1.885  -1.739  1.00  0.45           C  
ATOM    248  CG  GLU A  15     -10.682   1.705  -2.425  1.00  0.46           C  
ATOM    249  CD  GLU A  15     -10.561   1.656  -3.934  1.00  1.31           C  
ATOM    250  OE1 GLU A  15     -10.523   2.731  -4.570  1.00  2.00           O  
ATOM    251  OE2 GLU A  15     -10.508   0.540  -4.493  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.487  -0.249  -0.292  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -8.397   0.346  -2.900  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -9.518   2.076  -0.689  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.850   2.744  -2.173  1.00  0.59           H  
ATOM    256  HG2 GLU A  15     -11.124   0.779  -2.085  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -11.323   2.529  -2.154  1.00  0.96           H  
HETATM  258  N   MVA A  16      -6.004   0.874  -2.303  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -6.302   0.536  -3.714  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.615   1.092  -1.867  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.920  -0.230  -1.421  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -3.886  -1.276  -2.527  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -2.512   0.058  -0.911  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.775   1.818  -2.919  1.00  0.33           C  
HETATM  265  O   MVA A  16      -3.401   1.271  -3.960  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -5.390   0.567  -4.292  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -7.008   1.250  -4.114  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -6.724  -0.456  -3.766  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.632   1.733  -0.995  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -4.487  -0.642  -0.600  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -4.896  -1.519  -2.823  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -3.392  -2.166  -2.164  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -3.347  -0.884  -3.375  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -2.081  -0.847  -0.510  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -2.555   0.810  -0.136  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -1.901   0.418  -1.726  1.00  1.04           H  
ATOM    277  N   ARG A  17      -3.491   3.072  -2.618  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -2.719   3.930  -3.488  1.00  0.46           C  
ATOM    279  C   ARG A  17      -1.303   4.060  -2.944  1.00  0.44           C  
ATOM    280  O   ARG A  17      -1.057   4.775  -1.967  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -3.381   5.303  -3.589  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -4.816   5.251  -4.099  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -5.497   6.609  -4.002  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -4.790   7.640  -4.758  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -4.902   8.945  -4.520  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -5.697   9.380  -3.550  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -4.224   9.815  -5.255  1.00  3.60           N  
ATOM    288  H   ARG A  17      -3.795   3.426  -1.753  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -2.682   3.475  -4.465  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -3.384   5.760  -2.611  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -2.805   5.919  -4.262  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -4.809   4.935  -5.132  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -5.372   4.537  -3.509  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -6.503   6.522  -4.386  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -5.536   6.904  -2.963  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -4.198   7.340  -5.487  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -6.218   8.729  -2.992  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -5.778  10.366  -3.367  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -4.305  10.801  -5.077  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -3.627   9.494  -5.995  1.00  3.84           H  
ATOM    301  N   CYS A  18      -0.386   3.352  -3.565  1.00  0.49           N  
ATOM    302  CA  CYS A  18       0.991   3.316  -3.111  1.00  0.49           C  
ATOM    303  C   CYS A  18       1.873   4.211  -3.974  1.00  0.50           C  
ATOM    304  O   CYS A  18       1.761   4.217  -5.203  1.00  0.67           O  
ATOM    305  CB  CYS A  18       1.508   1.877  -3.142  1.00  0.62           C  
ATOM    306  SG  CYS A  18       3.234   1.676  -2.591  1.00  1.54           S  
ATOM    307  H   CYS A  18      -0.640   2.839  -4.362  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.015   3.675  -2.093  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       0.887   1.271  -2.500  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       1.442   1.507  -4.152  1.00  1.05           H  
ATOM    311  N   ASP A  19       2.729   4.977  -3.321  1.00  0.47           N  
ATOM    312  CA  ASP A  19       3.715   5.795  -4.005  1.00  0.61           C  
ATOM    313  C   ASP A  19       4.988   5.845  -3.180  1.00  0.55           C  
ATOM    314  O   ASP A  19       5.096   6.641  -2.243  1.00  0.58           O  
ATOM    315  CB  ASP A  19       3.206   7.216  -4.246  1.00  0.81           C  
ATOM    316  CG  ASP A  19       4.223   8.060  -4.993  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       4.816   8.975  -4.384  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       4.455   7.796  -6.193  1.00  1.37           O1-
ATOM    319  H   ASP A  19       2.705   4.983  -2.339  1.00  0.47           H  
ATOM    320  HA  ASP A  19       3.931   5.329  -4.955  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       2.298   7.175  -4.825  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       3.004   7.685  -3.295  1.00  0.85           H  
HETATM  323  N   DPR A  20       5.960   4.981  -3.501  1.00  0.55           N  
HETATM  324  CA  DPR A  20       7.228   4.912  -2.776  1.00  0.55           C  
HETATM  325  CB  DPR A  20       7.961   3.734  -3.418  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.325   3.560  -4.752  1.00  0.78           C  
HETATM  327  CD  DPR A  20       5.895   3.993  -4.591  1.00  0.65           C  
HETATM  328  C   DPR A  20       7.018   4.664  -1.283  1.00  0.42           C  
HETATM  329  O   DPR A  20       6.553   3.599  -0.882  1.00  0.42           O  
HETATM  330  HA  DPR A  20       7.809   5.809  -2.913  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       7.838   2.855  -2.805  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       9.011   3.970  -3.509  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       7.371   2.523  -5.046  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       7.825   4.180  -5.481  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.274   3.154  -4.315  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       5.538   4.447  -5.502  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.352   5.656  -0.447  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.213   5.551   1.007  1.00  0.50           C  
ATOM    339  C   PRO A  21       5.773   5.729   1.493  1.00  0.49           C  
ATOM    340  O   PRO A  21       5.502   5.610   2.687  1.00  0.54           O  
ATOM    341  CB  PRO A  21       8.088   6.696   1.516  1.00  0.65           C  
ATOM    342  CG  PRO A  21       8.021   7.720   0.437  1.00  0.69           C  
ATOM    343  CD  PRO A  21       7.921   6.955  -0.854  1.00  0.58           C  
ATOM    344  HA  PRO A  21       7.600   4.613   1.371  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       7.689   7.072   2.448  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       9.098   6.345   1.663  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       7.146   8.339   0.574  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       8.914   8.325   0.447  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       7.266   7.462  -1.544  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       8.898   6.824  -1.289  1.00  0.59           H  
ATOM    351  N   ARG A  22       4.855   6.021   0.581  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.462   6.227   0.959  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.606   5.037   0.572  1.00  0.39           C  
ATOM    354  O   ARG A  22       2.693   4.528  -0.545  1.00  0.44           O  
ATOM    355  CB  ARG A  22       2.901   7.502   0.328  1.00  0.67           C  
ATOM    356  CG  ARG A  22       3.513   8.776   0.882  1.00  0.83           C  
ATOM    357  CD  ARG A  22       3.312   8.892   2.388  1.00  0.97           C  
ATOM    358  NE  ARG A  22       1.897   8.856   2.767  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       1.396   9.445   3.851  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       2.179  10.155   4.656  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22       0.107   9.323   4.126  1.00  3.38           N  
ATOM    362  H   ARG A  22       5.114   6.086  -0.366  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.431   6.331   2.033  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       3.085   7.472  -0.736  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       1.836   7.534   0.499  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       4.573   8.774   0.672  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       3.050   9.624   0.398  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       3.824   8.074   2.871  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       3.738   9.825   2.721  1.00  1.53           H  
ATOM    370  HE  ARG A  22       1.282   8.345   2.185  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       1.794  10.593   5.472  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       3.153  10.259   4.450  1.00  1.29           H  
ATOM    373 HH21 ARG A  22      -0.283   9.764   4.939  1.00  3.77           H  
ATOM    374 HH22 ARG A  22      -0.489   8.782   3.516  1.00  3.90           H  
ATOM    375  N   TYR A  23       1.779   4.603   1.509  1.00  0.40           N  
ATOM    376  CA  TYR A  23       0.909   3.459   1.308  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.495   3.805   1.777  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.882   3.474   2.900  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.420   2.256   2.099  1.00  0.55           C  
ATOM    380  CG  TYR A  23       2.919   2.082   2.052  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       3.724   2.539   3.083  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       3.528   1.462   0.968  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       5.093   2.388   3.037  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       4.897   1.303   0.915  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       5.676   1.756   1.982  1.00  0.66           C  
ATOM    386  OH  TYR A  23       7.044   1.617   1.897  1.00  0.74           O  
ATOM    387  H   TYR A  23       1.750   5.074   2.369  1.00  0.52           H  
ATOM    388  HA  TYR A  23       0.890   3.220   0.255  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.134   2.369   3.134  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       0.967   1.358   1.703  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       3.263   3.021   3.932  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       2.914   1.097   0.157  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       5.702   2.750   3.848  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       5.349   0.819   0.065  1.00  0.70           H  
ATOM    395  HH  TYR A  23       7.351   1.821   1.004  1.00  1.09           H  
ATOM    396  N   GLU A  24      -1.253   4.481   0.931  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.587   4.914   1.306  1.00  0.23           C  
ATOM    398  C   GLU A  24      -3.555   3.747   1.167  1.00  0.27           C  
ATOM    399  O   GLU A  24      -3.717   3.211   0.080  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -3.041   6.089   0.438  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -2.074   7.265   0.444  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -1.657   7.677   1.843  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -2.495   8.231   2.584  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -0.486   7.456   2.209  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -0.919   4.672   0.027  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.557   5.226   2.339  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -3.148   5.746  -0.579  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -3.998   6.436   0.792  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -1.189   6.991  -0.111  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -2.551   8.106  -0.036  1.00  1.43           H  
HETATM  411  N   MVA A  25      -4.222   3.333   2.253  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.162   4.140   3.490  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -5.041   2.106   2.188  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -4.229   0.843   2.592  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -3.665   0.938   4.003  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -5.086  -0.404   2.444  1.00  0.36           C  
HETATM  417  C   MVA A  25      -6.332   2.184   3.013  1.00  0.32           C  
HETATM  418  O   MVA A  25      -6.328   2.364   4.234  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -3.171   4.084   3.913  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -4.879   3.756   4.203  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -4.397   5.168   3.262  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -5.345   1.955   1.161  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -3.396   0.751   1.911  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -3.134   0.028   4.240  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -4.474   1.076   4.705  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -2.988   1.776   4.063  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -5.405  -0.503   1.417  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -5.953  -0.324   3.084  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -4.510  -1.273   2.728  1.00  1.18           H  
ATOM    430  N   HIS A  26      -7.445   2.030   2.316  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -8.758   2.098   2.923  1.00  0.48           C  
ATOM    432  C   HIS A  26      -9.550   0.839   2.593  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.881   0.586   1.433  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.512   3.335   2.427  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -8.820   4.633   2.719  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -8.988   5.332   3.895  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -7.947   5.357   1.979  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -8.249   6.425   3.863  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -7.610   6.461   2.715  1.00  0.77           N  
ATOM    440  H   HIS A  26      -7.378   1.849   1.351  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -8.630   2.164   3.992  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.639   3.261   1.356  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.484   3.363   2.893  1.00  0.67           H  
ATOM    444  HD1 HIS A  26      -9.568   5.069   4.643  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -7.584   5.110   0.992  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -8.180   7.163   4.648  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -7.006   7.181   2.421  1.00  0.91           H  
ATOM    448  N   CYS A  27      -9.829   0.041   3.608  1.00  0.63           N  
ATOM    449  CA  CYS A  27     -10.607  -1.174   3.432  1.00  0.72           C  
ATOM    450  C   CYS A  27     -12.080  -0.903   3.693  1.00  1.07           C  
ATOM    451  O   CYS A  27     -12.586  -1.119   4.793  1.00  1.52           O  
ATOM    452  CB  CYS A  27     -10.098  -2.273   4.363  1.00  0.83           C  
ATOM    453  SG  CYS A  27      -8.387  -2.804   4.021  1.00  1.10           S  
ATOM    454  H   CYS A  27      -9.502   0.275   4.504  1.00  0.68           H  
ATOM    455  HA  CYS A  27     -10.488  -1.497   2.409  1.00  0.61           H  
ATOM    456  HB2 CYS A  27     -10.135  -1.917   5.381  1.00  1.38           H  
ATOM    457  HB3 CYS A  27     -10.738  -3.138   4.266  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -12.770  -0.417   2.678  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -12.304  -0.266   1.827  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -13.720  -0.228   2.814  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
MODEL        8                                                                  
ATOM      1  N   ASN A   1      13.672  -6.391  -0.135  1.00  2.83           N  
ATOM      2  CA  ASN A   1      12.474  -5.746   0.451  1.00  2.53           C  
ATOM      3  C   ASN A   1      11.558  -5.227  -0.645  1.00  1.75           C  
ATOM      4  O   ASN A   1      11.911  -4.292  -1.361  1.00  1.89           O  
ATOM      5  CB  ASN A   1      12.886  -4.591   1.367  1.00  3.29           C  
ATOM      6  CG  ASN A   1      13.603  -5.061   2.615  1.00  4.23           C  
ATOM      7  OD1 ASN A   1      14.301  -6.075   2.601  1.00  4.58           O  
ATOM      8  ND2 ASN A   1      13.432  -4.329   3.704  1.00  4.97           N  
ATOM      9  H1  ASN A   1      13.390  -7.191  -0.736  1.00  3.33           H  
ATOM     10  H2  ASN A   1      14.298  -6.739   0.618  1.00  3.20           H  
ATOM     11  H3  ASN A   1      14.195  -5.708  -0.719  1.00  2.74           H  
ATOM     12  HA  ASN A   1      11.942  -6.483   1.033  1.00  2.86           H  
ATOM     13  HB2 ASN A   1      13.546  -3.929   0.825  1.00  3.24           H  
ATOM     14  HB3 ASN A   1      12.005  -4.045   1.664  1.00  3.69           H  
ATOM     15 HD21 ASN A   1      12.861  -3.534   3.643  1.00  4.96           H  
ATOM     16 HD22 ASN A   1      13.884  -4.611   4.529  1.00  5.67           H  
ATOM     17  N   ASP A   2      10.383  -5.836  -0.782  1.00  1.32           N  
ATOM     18  CA  ASP A   2       9.438  -5.445  -1.827  1.00  0.96           C  
ATOM     19  C   ASP A   2       8.092  -5.033  -1.248  1.00  0.74           C  
ATOM     20  O   ASP A   2       7.047  -5.261  -1.859  1.00  0.80           O  
ATOM     21  CB  ASP A   2       9.239  -6.583  -2.832  1.00  1.49           C  
ATOM     22  CG  ASP A   2      10.343  -6.645  -3.866  1.00  2.21           C  
ATOM     23  OD1 ASP A   2      10.336  -5.827  -4.812  1.00  2.88           O  
ATOM     24  OD2 ASP A   2      11.226  -7.519  -3.742  1.00  2.65           O1-
ATOM     25  H   ASP A   2      10.145  -6.567  -0.172  1.00  1.67           H  
ATOM     26  HA  ASP A   2       9.860  -4.599  -2.344  1.00  1.19           H  
ATOM     27  HB2 ASP A   2       9.214  -7.522  -2.303  1.00  1.81           H  
ATOM     28  HB3 ASP A   2       8.300  -6.439  -3.345  1.00  2.06           H  
HETATM   29  N   B3K A   3       8.112  -4.404  -0.080  1.00  0.63           N  
HETATM   30  CA  B3K A   3       6.878  -3.964   0.541  1.00  0.56           C  
HETATM   31  CG  B3K A   3       6.873  -4.268   2.042  1.00  0.70           C  
HETATM   32  CD  B3K A   3       6.882  -5.753   2.365  1.00  0.81           C  
HETATM   33  CE  B3K A   3       6.701  -6.000   3.852  1.00  1.07           C  
HETATM   34  CF  B3K A   3       6.674  -7.486   4.177  1.00  1.41           C  
HETATM   35  NZ  B3K A   3       7.959  -8.153   3.844  1.00  1.88           N  
HETATM   36  CB  B3K A   3       6.664  -2.467   0.339  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.340  -2.186  -0.327  1.00  0.52           C  
HETATM   38  O   B3K A   3       4.277  -2.530   0.200  1.00  0.53           O  
HETATM   39  H   B3K A   3       8.969  -4.218   0.356  1.00  0.74           H  
HETATM   40  HA  B3K A   3       6.071  -4.501   0.046  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       5.989  -3.832   2.482  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       7.746  -3.818   2.491  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       7.827  -6.174   2.052  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       6.077  -6.232   1.829  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       5.770  -5.554   4.169  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       7.520  -5.542   4.384  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       5.880  -7.950   3.610  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       6.480  -7.607   5.232  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3       8.738  -7.717   4.377  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3       8.158  -8.065   2.828  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       6.679  -1.977   1.301  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       7.454  -2.069  -0.282  1.00  0.56           H  
ATOM     53  N   CYS A   4       5.398  -1.583  -1.507  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.200  -1.341  -2.285  1.00  0.57           C  
ATOM     55  C   CYS A   4       3.678  -2.653  -2.837  1.00  0.56           C  
ATOM     56  O   CYS A   4       2.544  -3.025  -2.558  1.00  0.78           O  
ATOM     57  CB  CYS A   4       4.461  -0.354  -3.429  1.00  0.62           C  
ATOM     58  SG  CYS A   4       3.012  -0.067  -4.500  1.00  1.29           S  
ATOM     59  H   CYS A   4       6.270  -1.310  -1.867  1.00  0.55           H  
ATOM     60  HA  CYS A   4       3.455  -0.927  -1.623  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       4.758   0.597  -3.016  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       5.258  -0.734  -4.050  1.00  1.09           H  
ATOM     63  N   LYS A   5       4.529  -3.369  -3.577  1.00  0.45           N  
ATOM     64  CA  LYS A   5       4.131  -4.619  -4.228  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.484  -5.573  -3.234  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.312  -5.937  -3.377  1.00  0.35           O  
ATOM     67  CB  LYS A   5       5.336  -5.292  -4.888  1.00  0.57           C  
ATOM     68  CG  LYS A   5       5.983  -4.447  -5.967  1.00  0.70           C  
ATOM     69  CD  LYS A   5       7.017  -5.239  -6.748  1.00  1.19           C  
ATOM     70  CE  LYS A   5       7.616  -4.409  -7.871  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       6.573  -3.911  -8.809  1.00  2.67           N1+
ATOM     72  H   LYS A   5       5.450  -3.050  -3.685  1.00  0.48           H  
ATOM     73  HA  LYS A   5       3.407  -4.375  -4.991  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       6.077  -5.500  -4.131  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       5.014  -6.222  -5.330  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       5.219  -4.102  -6.648  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       6.464  -3.598  -5.506  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       7.806  -5.543  -6.077  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       6.543  -6.113  -7.170  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       8.134  -3.566  -7.442  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       8.317  -5.021  -8.419  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5       5.867  -3.346  -8.296  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5       6.092  -4.709  -9.269  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5       7.006  -3.314  -9.542  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.245  -5.983  -2.231  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.721  -6.863  -1.222  1.00  0.30           C  
HETATM   87  CG  B3E A   6       4.574  -8.132  -1.141  1.00  0.49           C  
HETATM   88  CD  B3E A   6       4.600  -8.928  -2.436  1.00  0.97           C  
HETATM   89  CE  B3E A   6       5.443 -10.179  -2.332  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       4.983 -11.162  -1.716  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       6.571 -10.189  -2.859  1.00  1.43           O  
HETATM   92  CB  B3E A   6       3.749  -6.196   0.149  1.00  0.35           C  
HETATM   93  C   B3E A   6       2.381  -5.801   0.631  1.00  0.38           C  
HETATM   94  O   B3E A   6       1.548  -6.647   0.969  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.182  -5.681  -2.175  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.678  -7.081  -1.507  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       4.182  -8.768  -0.362  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       5.588  -7.855  -0.893  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       5.004  -8.303  -3.220  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       3.590  -9.213  -2.688  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       4.179  -6.881   0.863  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.358  -5.308   0.097  1.00  0.37           H  
ATOM    103  N   LEU A   7       2.138  -4.498   0.647  1.00  0.40           N  
ATOM    104  CA  LEU A   7       0.862  -3.970   1.087  1.00  0.51           C  
ATOM    105  C   LEU A   7      -0.194  -4.138  -0.001  1.00  0.54           C  
ATOM    106  O   LEU A   7      -1.292  -4.618   0.275  1.00  0.63           O  
ATOM    107  CB  LEU A   7       1.006  -2.500   1.483  1.00  0.62           C  
ATOM    108  CG  LEU A   7       2.039  -2.223   2.578  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       2.081  -0.744   2.907  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       1.735  -3.035   3.830  1.00  0.89           C  
ATOM    111  H   LEU A   7       2.844  -3.873   0.358  1.00  0.37           H  
ATOM    112  HA  LEU A   7       0.556  -4.536   1.952  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       1.285  -1.939   0.603  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       0.047  -2.147   1.825  1.00  0.77           H  
ATOM    115  HG  LEU A   7       3.017  -2.512   2.223  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       2.338  -0.186   2.019  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       2.824  -0.568   3.671  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       1.112  -0.427   3.265  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       2.431  -2.765   4.611  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       1.834  -4.088   3.612  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       0.728  -2.828   4.158  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.157  -3.772  -1.237  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.760  -3.883  -2.371  1.00  0.62           C  
ATOM    124  C   LYS A   8      -1.306  -5.298  -2.453  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.519  -5.509  -2.516  1.00  0.75           O  
ATOM    126  CB  LYS A   8      -0.047  -3.505  -3.670  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -0.958  -3.387  -4.875  1.00  0.90           C  
ATOM    128  CD  LYS A   8      -0.166  -2.997  -6.109  1.00  1.14           C  
ATOM    129  CE  LYS A   8      -1.066  -2.757  -7.306  1.00  1.72           C  
ATOM    130  NZ  LYS A   8      -0.286  -2.381  -8.515  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.061  -3.420  -1.394  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -1.576  -3.202  -2.205  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.446  -2.555  -3.529  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       0.700  -4.254  -3.887  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -1.438  -4.339  -5.046  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -1.705  -2.631  -4.679  1.00  1.35           H  
ATOM    137  HD2 LYS A   8       0.384  -2.092  -5.901  1.00  1.64           H  
ATOM    138  HD3 LYS A   8       0.527  -3.792  -6.346  1.00  1.57           H  
ATOM    139  HE2 LYS A   8      -1.619  -3.662  -7.512  1.00  2.39           H  
ATOM    140  HE3 LYS A   8      -1.755  -1.962  -7.070  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8      -0.927  -2.170  -9.307  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8       0.343  -3.161  -8.792  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8       0.292  -1.538  -8.318  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.401  -6.267  -2.454  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -0.785  -7.653  -2.473  1.00  0.57           C  
HETATM  146  CG  B3K A   9      -0.294  -8.320  -3.768  1.00  0.76           C  
HETATM  147  CD  B3K A   9      -0.845  -7.697  -5.044  1.00  1.37           C  
HETATM  148  CE  B3K A   9      -2.360  -7.783  -5.099  1.00  1.57           C  
HETATM  149  CF  B3K A   9      -2.904  -7.248  -6.413  1.00  2.17           C  
HETATM  150  NZ  B3K A   9      -4.391  -7.225  -6.431  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.140  -8.401  -1.304  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.098  -8.698  -0.177  1.00  0.43           C  
HETATM  153  O   B3K A   9      -1.850  -9.674  -0.216  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.557  -6.030  -2.453  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -1.885  -7.678  -2.375  1.00  0.62           H  
HETATM  156  HG2 B3K A   9      -0.580  -9.361  -3.752  1.00  1.17           H  
HETATM  157  HG3 B3K A   9       0.783  -8.255  -3.803  1.00  1.48           H  
HETATM  158  HD2 B3K A   9      -0.433  -8.221  -5.895  1.00  2.13           H  
HETATM  159  HD3 B3K A   9      -0.553  -6.658  -5.083  1.00  1.86           H  
HETATM  160  HE2 B3K A   9      -2.774  -7.204  -4.287  1.00  2.04           H  
HETATM  161  HE3 B3K A   9      -2.656  -8.816  -4.993  1.00  1.90           H  
HETATM  162  HF1 B3K A   9      -2.553  -7.878  -7.217  1.00  2.47           H  
HETATM  163  HF2 B3K A   9      -2.538  -6.243  -6.558  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9      -4.747  -6.554  -5.721  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9      -4.768  -8.171  -6.215  1.00  3.36           H  
HETATM  166  HB1 B3K A   9       0.256  -9.337  -1.667  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.669  -7.805  -0.907  1.00  0.45           H  
ATOM    168  N   ARG A  10      -1.059  -7.848   0.846  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -1.887  -8.024   2.034  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.290  -7.467   1.831  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.280  -8.108   2.190  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -1.239  -7.343   3.242  1.00  0.54           C  
ATOM    173  CG  ARG A  10       0.156  -7.854   3.562  1.00  0.96           C  
ATOM    174  CD  ARG A  10       0.168  -9.361   3.750  1.00  1.33           C  
ATOM    175  NE  ARG A  10       1.511  -9.867   4.011  1.00  1.88           N  
ATOM    176  CZ  ARG A  10       1.830 -11.160   4.023  1.00  2.80           C  
ATOM    177  NH1 ARG A  10       0.900 -12.082   3.786  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10       3.078 -11.526   4.275  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.439  -7.083   0.806  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -1.963  -9.079   2.229  1.00  0.53           H  
ATOM    181  HB2 ARG A  10      -1.174  -6.281   3.051  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -1.864  -7.504   4.106  1.00  1.03           H  
ATOM    183  HG2 ARG A  10       0.821  -7.599   2.751  1.00  1.46           H  
ATOM    184  HG3 ARG A  10       0.499  -7.386   4.472  1.00  1.60           H  
ATOM    185  HD2 ARG A  10      -0.472  -9.614   4.582  1.00  1.90           H  
ATOM    186  HD3 ARG A  10      -0.212  -9.825   2.852  1.00  1.74           H  
ATOM    187  HE  ARG A  10       2.215  -9.203   4.197  1.00  2.07           H  
ATOM    188 HH11 ARG A  10       1.142 -13.058   3.794  1.00  4.18           H  
ATOM    189 HH12 ARG A  10      -0.047 -11.808   3.605  1.00  3.23           H  
ATOM    190 HH21 ARG A  10       3.325 -12.501   4.285  1.00  4.28           H  
ATOM    191 HH22 ARG A  10       3.781 -10.835   4.461  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.372  -6.283   1.242  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.642  -5.586   1.079  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.356  -6.035  -0.195  1.00  0.33           C  
ATOM    195  O   TYR A  11      -5.890  -5.217  -0.949  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -4.402  -4.077   1.057  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -3.846  -3.528   2.354  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.508  -3.729   3.561  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.662  -2.802   2.371  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -4.002  -3.225   4.744  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -2.152  -2.296   3.550  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -2.823  -2.509   4.733  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -2.314  -2.008   5.909  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.555  -5.861   0.897  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.261  -5.830   1.929  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.697  -3.849   0.275  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -5.331  -3.574   0.852  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.429  -4.292   3.567  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -2.135  -2.636   1.443  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -4.529  -3.391   5.670  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -1.230  -1.734   3.541  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -2.301  -2.708   6.573  1.00  1.30           H  
HETATM  213  N   AIB A  12      -5.391  -7.353  -0.390  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.989  -7.977  -1.578  1.00  0.54           C  
HETATM  215  C   AIB A  12      -7.426  -7.484  -1.799  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.891  -7.392  -2.937  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -5.992  -9.481  -1.406  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -5.146  -7.670  -2.797  1.00  0.69           C  
HETATM  219  H   AIB A  12      -4.995  -7.932   0.294  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -6.628  -9.747  -0.574  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -4.986  -9.825  -1.214  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -6.365  -9.945  -2.307  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -4.144  -8.041  -2.644  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -5.115  -6.601  -2.948  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -5.580  -8.144  -3.664  1.00  1.24           H  
ATOM    226  N   GLY A  13      -8.126  -7.177  -0.715  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.499  -6.731  -0.831  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.705  -5.313  -0.337  1.00  0.45           C  
ATOM    229  O   GLY A  13     -10.778  -4.976   0.167  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.709  -7.257   0.169  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.794  -6.785  -1.868  1.00  0.50           H  
ATOM    232  HA3 GLY A  13     -10.125  -7.394  -0.256  1.00  0.55           H  
ATOM    233  N   CYS A  14      -8.684  -4.481  -0.479  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -8.752  -3.102  -0.012  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.006  -2.186  -0.980  1.00  0.27           C  
ATOM    236  O   CYS A  14      -7.055  -2.617  -1.632  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -8.146  -3.025   1.391  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -8.094  -1.359   2.114  1.00  0.86           S  
ATOM    239  H   CYS A  14      -7.853  -4.801  -0.902  1.00  0.27           H  
ATOM    240  HA  CYS A  14      -9.789  -2.808   0.027  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -8.724  -3.647   2.058  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -7.137  -3.396   1.353  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.444  -0.931  -1.087  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -7.808   0.016  -1.997  1.00  0.34           C  
ATOM    245  C   GLU A  15      -6.461   0.444  -1.435  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.377   0.827  -0.272  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -8.694   1.246  -2.211  1.00  0.45           C  
ATOM    248  CG  GLU A  15      -9.986   0.952  -2.949  1.00  0.46           C  
ATOM    249  CD  GLU A  15      -9.752   0.480  -4.370  1.00  1.31           C  
ATOM    250  OE1 GLU A  15      -9.386   1.311  -5.229  1.00  2.00           O  
ATOM    251  OE2 GLU A  15      -9.941  -0.723  -4.640  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.188  -0.624  -0.518  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -7.657  -0.481  -2.943  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -8.944   1.667  -1.248  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.140   1.979  -2.780  1.00  0.59           H  
ATOM    256  HG2 GLU A  15     -10.522   0.183  -2.415  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -10.582   1.852  -2.976  1.00  0.96           H  
HETATM  258  N   MVA A  16      -5.388   0.399  -2.239  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -5.560   0.040  -3.664  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.053   0.733  -1.714  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.437  -0.461  -0.935  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -3.438  -1.737  -1.762  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -2.026  -0.127  -0.466  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.077   1.212  -2.794  1.00  0.33           C  
HETATM  265  O   MVA A  16      -2.622   0.453  -3.655  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -6.356   0.631  -4.091  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -5.805  -1.009  -3.745  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -4.643   0.237  -4.198  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.153   1.543  -1.004  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -4.043  -0.637  -0.058  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -3.009  -2.538  -1.183  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -2.854  -1.585  -2.657  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -4.454  -1.989  -2.032  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -2.055   0.739   0.180  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -1.402   0.084  -1.323  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -1.619  -0.967   0.077  1.00  1.04           H  
ATOM    277  N   ARG A  17      -2.753   2.491  -2.722  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -1.809   3.103  -3.637  1.00  0.46           C  
ATOM    279  C   ARG A  17      -0.527   3.433  -2.891  1.00  0.44           C  
ATOM    280  O   ARG A  17      -0.518   3.499  -1.663  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -2.402   4.366  -4.261  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -3.627   4.103  -5.121  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -4.135   5.379  -5.773  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -5.299   5.140  -6.628  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -5.594   5.867  -7.702  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -4.808   6.878  -8.062  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -6.675   5.585  -8.416  1.00  3.60           N  
ATOM    288  H   ARG A  17      -3.144   3.036  -2.003  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -1.586   2.389  -4.415  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -2.683   5.045  -3.470  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -1.651   4.837  -4.876  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -3.366   3.394  -5.893  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -4.407   3.690  -4.498  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -4.409   6.079  -4.998  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -3.341   5.802  -6.373  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -5.899   4.397  -6.380  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -3.991   7.096  -7.527  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -5.033   7.430  -8.870  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -6.902   6.129  -9.230  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -7.279   4.828  -8.144  1.00  3.84           H  
ATOM    301  N   CYS A  18       0.550   3.640  -3.620  1.00  0.49           N  
ATOM    302  CA  CYS A  18       1.838   3.859  -2.991  1.00  0.49           C  
ATOM    303  C   CYS A  18       2.603   4.998  -3.658  1.00  0.50           C  
ATOM    304  O   CYS A  18       2.656   5.096  -4.888  1.00  0.67           O  
ATOM    305  CB  CYS A  18       2.659   2.572  -3.042  1.00  0.62           C  
ATOM    306  SG  CYS A  18       2.952   1.947  -4.728  1.00  1.54           S  
ATOM    307  H   CYS A  18       0.479   3.643  -4.598  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.658   4.115  -1.957  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       3.621   2.746  -2.583  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       2.134   1.805  -2.493  1.00  1.05           H  
ATOM    311  N   ASP A  19       3.185   5.853  -2.835  1.00  0.47           N  
ATOM    312  CA  ASP A  19       4.031   6.938  -3.302  1.00  0.61           C  
ATOM    313  C   ASP A  19       5.352   6.886  -2.545  1.00  0.55           C  
ATOM    314  O   ASP A  19       5.507   7.526  -1.504  1.00  0.58           O  
ATOM    315  CB  ASP A  19       3.347   8.292  -3.083  1.00  0.81           C  
ATOM    316  CG  ASP A  19       4.148   9.451  -3.648  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       4.931  10.060  -2.890  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       4.010   9.754  -4.852  1.00  1.37           O1-
ATOM    319  H   ASP A  19       3.052   5.746  -1.868  1.00  0.47           H  
ATOM    320  HA  ASP A  19       4.217   6.793  -4.356  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       2.379   8.279  -3.562  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       3.215   8.452  -2.023  1.00  0.85           H  
HETATM  323  N   DPR A  20       6.313   6.097  -3.046  1.00  0.55           N  
HETATM  324  CA  DPR A  20       7.581   5.863  -2.354  1.00  0.55           C  
HETATM  325  CB  DPR A  20       8.324   4.876  -3.255  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.678   5.009  -4.589  1.00  0.78           C  
HETATM  327  CD  DPR A  20       6.247   5.377  -4.326  1.00  0.65           C  
HETATM  328  C   DPR A  20       7.358   5.254  -0.971  1.00  0.42           C  
HETATM  329  O   DPR A  20       6.830   4.146  -0.849  1.00  0.42           O  
HETATM  330  HA  DPR A  20       8.159   6.766  -2.262  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       8.213   3.876  -2.864  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       9.369   5.139  -3.294  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       7.731   4.070  -5.117  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       8.167   5.786  -5.157  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.637   4.491  -4.238  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       5.875   6.018  -5.109  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.753   5.974   0.086  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.567   5.526   1.464  1.00  0.50           C  
ATOM    339  C   PRO A  21       6.163   5.819   1.991  1.00  0.49           C  
ATOM    340  O   PRO A  21       5.841   5.500   3.136  1.00  0.54           O  
ATOM    341  CB  PRO A  21       8.603   6.347   2.224  1.00  0.65           C  
ATOM    342  CG  PRO A  21       8.683   7.627   1.465  1.00  0.69           C  
ATOM    343  CD  PRO A  21       8.440   7.277   0.020  1.00  0.58           C  
ATOM    344  HA  PRO A  21       7.784   4.475   1.573  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       8.269   6.506   3.239  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       9.551   5.830   2.225  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       7.924   8.310   1.817  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       9.663   8.063   1.584  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       7.810   8.017  -0.448  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       9.376   7.189  -0.509  1.00  0.59           H  
ATOM    351  N   ARG A  22       5.332   6.436   1.159  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.973   6.771   1.558  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.997   5.756   0.996  1.00  0.39           C  
ATOM    354  O   ARG A  22       3.167   5.272  -0.123  1.00  0.44           O  
ATOM    355  CB  ARG A  22       3.592   8.174   1.083  1.00  0.67           C  
ATOM    356  CG  ARG A  22       4.558   9.253   1.532  1.00  0.83           C  
ATOM    357  CD  ARG A  22       4.726   9.267   3.041  1.00  0.97           C  
ATOM    358  NE  ARG A  22       5.727  10.241   3.465  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       6.328  10.224   4.654  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       6.026   9.282   5.545  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22       7.237  11.146   4.948  1.00  3.38           N  
ATOM    362  H   ARG A  22       5.636   6.661   0.248  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.926   6.737   2.636  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       3.561   8.177   0.004  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       2.611   8.418   1.463  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       5.520   9.073   1.075  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       4.180  10.212   1.212  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       3.779   9.514   3.497  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       5.035   8.283   3.365  1.00  1.53           H  
ATOM    370  HE  ARG A  22       5.968  10.946   2.821  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       6.479   9.268   6.440  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       5.341   8.580   5.326  1.00  1.29           H  
ATOM    373 HH21 ARG A  22       7.694  11.137   5.841  1.00  3.77           H  
ATOM    374 HH22 ARG A  22       7.471  11.857   4.277  1.00  3.90           H  
ATOM    375  N   TYR A  23       1.979   5.430   1.771  1.00  0.40           N  
ATOM    376  CA  TYR A  23       1.004   4.437   1.363  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.409   4.904   1.674  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.712   5.303   2.800  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.271   3.108   2.067  1.00  0.55           C  
ATOM    380  CG  TYR A  23       2.669   2.582   1.854  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       3.640   2.725   2.834  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       3.016   1.946   0.672  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       4.919   2.243   2.643  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       4.293   1.463   0.473  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       5.241   1.613   1.462  1.00  0.66           C  
ATOM    386  OH  TYR A  23       6.513   1.124   1.270  1.00  0.74           O  
ATOM    387  H   TYR A  23       1.877   5.871   2.641  1.00  0.52           H  
ATOM    388  HA  TYR A  23       1.100   4.293   0.298  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.121   3.234   3.128  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       0.578   2.368   1.695  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       3.384   3.220   3.759  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       2.271   1.833  -0.102  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       5.661   2.365   3.417  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       4.543   0.972  -0.451  1.00  0.70           H  
ATOM    395  HH  TYR A  23       6.784   0.631   2.056  1.00  1.09           H  
ATOM    396  N   GLU A  24      -1.260   4.854   0.670  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.663   5.173   0.836  1.00  0.23           C  
ATOM    398  C   GLU A  24      -3.476   3.888   0.844  1.00  0.27           C  
ATOM    399  O   GLU A  24      -3.391   3.102  -0.092  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -3.149   6.093  -0.285  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -2.827   7.557  -0.048  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -3.462   8.080   1.222  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -4.712   8.082   1.316  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -2.719   8.500   2.135  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -0.939   4.570  -0.214  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.780   5.673   1.783  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -2.684   5.791  -1.211  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -4.218   5.993  -0.380  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -1.755   7.670   0.029  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -3.192   8.134  -0.884  1.00  1.43           H  
HETATM  411  N   MVA A  25      -4.273   3.650   1.890  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.428   4.687   2.934  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -5.027   2.389   1.978  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -4.251   1.293   2.770  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -3.873   1.739   4.176  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -5.054   0.006   2.820  1.00  0.36           C  
HETATM  417  C   MVA A  25      -6.428   2.592   2.563  1.00  0.32           C  
HETATM  418  O   MVA A  25      -6.611   2.873   3.749  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -3.496   4.807   3.465  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -5.201   4.386   3.626  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -4.701   5.624   2.472  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -5.166   2.002   0.976  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -3.334   1.087   2.235  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -3.366   0.932   4.685  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -4.766   2.005   4.721  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -3.218   2.596   4.117  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -5.245  -0.339   1.814  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -5.993   0.187   3.322  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -4.497  -0.746   3.358  1.00  1.18           H  
ATOM    430  N   HIS A  26      -7.418   2.439   1.702  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -8.799   2.707   2.055  1.00  0.48           C  
ATOM    432  C   HIS A  26      -9.638   1.454   1.847  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.817   0.987   0.718  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.352   3.861   1.210  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -8.564   5.136   1.326  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -8.856   6.122   2.242  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -7.483   5.579   0.637  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -7.991   7.111   2.114  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -7.145   6.807   1.150  1.00  0.77           N  
ATOM    440  H   HIS A  26      -7.212   2.102   0.799  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -8.831   2.983   3.098  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.354   3.564   0.173  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.365   4.067   1.518  1.00  0.67           H  
ATOM    444  HD1 HIS A  26      -9.594   6.104   2.889  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -6.984   5.063  -0.170  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -7.979   8.018   2.700  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -6.303   7.294   0.961  1.00  0.91           H  
ATOM    448  N   CYS A  27     -10.125   0.896   2.939  1.00  0.63           N  
ATOM    449  CA  CYS A  27     -10.903  -0.326   2.883  1.00  0.72           C  
ATOM    450  C   CYS A  27     -12.386  -0.010   2.995  1.00  1.07           C  
ATOM    451  O   CYS A  27     -13.028  -0.312   4.003  1.00  1.52           O  
ATOM    452  CB  CYS A  27     -10.478  -1.273   4.004  1.00  0.83           C  
ATOM    453  SG  CYS A  27      -8.689  -1.638   4.034  1.00  1.10           S  
ATOM    454  H   CYS A  27      -9.955   1.313   3.810  1.00  0.68           H  
ATOM    455  HA  CYS A  27     -10.713  -0.800   1.930  1.00  0.61           H  
ATOM    456  HB2 CYS A  27     -10.739  -0.830   4.954  1.00  1.38           H  
ATOM    457  HB3 CYS A  27     -11.004  -2.207   3.893  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -12.929   0.597   1.954  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -12.355   0.807   1.186  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -13.883   0.814   1.991  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
MODEL        9                                                                  
ATOM      1  N   ASN A   1      13.421  -3.294   2.028  1.00  2.83           N  
ATOM      2  CA  ASN A   1      12.365  -4.309   1.813  1.00  2.53           C  
ATOM      3  C   ASN A   1      11.649  -4.052   0.495  1.00  1.75           C  
ATOM      4  O   ASN A   1      11.681  -2.938  -0.027  1.00  1.89           O  
ATOM      5  CB  ASN A   1      11.361  -4.286   2.969  1.00  3.29           C  
ATOM      6  CG  ASN A   1      11.993  -4.687   4.284  1.00  4.23           C  
ATOM      7  OD1 ASN A   1      12.937  -5.473   4.315  1.00  4.58           O  
ATOM      8  ND2 ASN A   1      11.485  -4.143   5.375  1.00  4.97           N  
ATOM      9  H1  ASN A   1      13.890  -3.447   2.942  1.00  3.33           H  
ATOM     10  H2  ASN A   1      13.006  -2.342   2.017  1.00  3.20           H  
ATOM     11  H3  ASN A   1      14.133  -3.353   1.271  1.00  2.74           H  
ATOM     12  HA  ASN A   1      12.836  -5.279   1.771  1.00  2.86           H  
ATOM     13  HB2 ASN A   1      10.962  -3.291   3.074  1.00  3.24           H  
ATOM     14  HB3 ASN A   1      10.556  -4.973   2.753  1.00  3.69           H  
ATOM     15 HD21 ASN A   1      10.734  -3.517   5.279  1.00  4.96           H  
ATOM     16 HD22 ASN A   1      11.875  -4.392   6.241  1.00  5.67           H  
ATOM     17  N   ASP A   2      11.014  -5.085  -0.044  1.00  1.32           N  
ATOM     18  CA  ASP A   2      10.317  -4.979  -1.323  1.00  0.96           C  
ATOM     19  C   ASP A   2       8.810  -4.862  -1.117  1.00  0.74           C  
ATOM     20  O   ASP A   2       8.016  -5.349  -1.923  1.00  0.80           O  
ATOM     21  CB  ASP A   2      10.640  -6.188  -2.212  1.00  1.49           C  
ATOM     22  CG  ASP A   2      10.319  -7.517  -1.555  1.00  2.21           C  
ATOM     23  OD1 ASP A   2       9.261  -8.100  -1.873  1.00  2.88           O  
ATOM     24  OD2 ASP A   2      11.107  -7.985  -0.714  1.00  2.65           O1-
ATOM     25  H   ASP A   2      11.016  -5.947   0.427  1.00  1.67           H  
ATOM     26  HA  ASP A   2      10.667  -4.082  -1.813  1.00  1.19           H  
ATOM     27  HB2 ASP A   2      10.069  -6.115  -3.123  1.00  1.81           H  
ATOM     28  HB3 ASP A   2      11.693  -6.172  -2.453  1.00  2.06           H  
HETATM   29  N   B3K A   3       8.418  -4.185  -0.047  1.00  0.63           N  
HETATM   30  CA  B3K A   3       7.009  -3.995   0.249  1.00  0.56           C  
HETATM   31  CG  B3K A   3       6.725  -4.283   1.727  1.00  0.70           C  
HETATM   32  CD  B3K A   3       7.184  -5.656   2.190  1.00  0.81           C  
HETATM   33  CE  B3K A   3       6.867  -5.877   3.661  1.00  1.07           C  
HETATM   34  CF  B3K A   3       7.410  -7.207   4.162  1.00  1.41           C  
HETATM   35  NZ  B3K A   3       6.850  -8.358   3.408  1.00  1.88           N  
HETATM   36  CB  B3K A   3       6.592  -2.556  -0.056  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.389  -2.472  -0.968  1.00  0.52           C  
HETATM   38  O   B3K A   3       4.259  -2.773  -0.564  1.00  0.53           O  
HETATM   39  H   B3K A   3       9.093  -3.789   0.545  1.00  0.74           H  
HETATM   40  HA  B3K A   3       6.444  -4.675  -0.384  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       5.661  -4.207   1.895  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       7.226  -3.538   2.327  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       8.252  -5.737   2.045  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       6.680  -6.409   1.607  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       5.795  -5.864   3.794  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       7.311  -5.081   4.239  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       7.155  -7.314   5.206  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       8.484  -7.207   4.054  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3       7.205  -9.254   3.801  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3       7.129  -8.302   2.408  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       6.352  -2.058   0.871  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       7.416  -2.042  -0.533  1.00  0.56           H  
ATOM     53  N   CYS A   4       5.635  -2.068  -2.210  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.571  -1.907  -3.183  1.00  0.57           C  
ATOM     55  C   CYS A   4       4.136  -3.255  -3.735  1.00  0.56           C  
ATOM     56  O   CYS A   4       2.958  -3.455  -4.028  1.00  0.78           O  
ATOM     57  CB  CYS A   4       5.013  -0.981  -4.319  1.00  0.62           C  
ATOM     58  SG  CYS A   4       5.448   0.702  -3.771  1.00  1.29           S  
ATOM     59  H   CYS A   4       6.560  -1.879  -2.479  1.00  0.55           H  
ATOM     60  HA  CYS A   4       3.733  -1.456  -2.674  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       5.878  -1.403  -4.809  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       4.209  -0.895  -5.033  1.00  1.09           H  
ATOM     63  N   LYS A   5       5.084  -4.181  -3.864  1.00  0.45           N  
ATOM     64  CA  LYS A   5       4.766  -5.532  -4.304  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.782  -6.165  -3.328  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.596  -6.316  -3.637  1.00  0.35           O  
ATOM     67  CB  LYS A   5       6.036  -6.375  -4.416  1.00  0.57           C  
ATOM     68  CG  LYS A   5       7.027  -5.841  -5.434  1.00  0.70           C  
ATOM     69  CD  LYS A   5       8.314  -6.650  -5.444  1.00  1.19           C  
ATOM     70  CE  LYS A   5       8.083  -8.088  -5.881  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       7.502  -8.176  -7.248  1.00  2.67           N1+
ATOM     72  H   LYS A   5       6.017  -3.948  -3.655  1.00  0.48           H  
ATOM     73  HA  LYS A   5       4.300  -5.464  -5.275  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       6.523  -6.403  -3.451  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       5.763  -7.378  -4.701  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       6.578  -5.885  -6.415  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       7.260  -4.814  -5.191  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       9.012  -6.187  -6.124  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       8.729  -6.651  -4.449  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       9.029  -8.609  -5.870  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       7.409  -8.559  -5.183  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5       7.463  -9.169  -7.557  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5       8.082  -7.638  -7.921  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5       6.536  -7.788  -7.255  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.277  -6.530  -2.151  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.433  -7.099  -1.112  1.00  0.30           C  
HETATM   87  CG  B3E A   6       3.540  -8.625  -1.074  1.00  0.49           C  
HETATM   88  CD  B3E A   6       3.056  -9.315  -2.335  1.00  0.97           C  
HETATM   89  CE  B3E A   6       3.178 -10.817  -2.247  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       4.110 -11.381  -2.859  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       2.341 -11.443  -1.566  1.00  1.43           O  
HETATM   92  CB  B3E A   6       3.833  -6.555   0.254  1.00  0.35           C  
HETATM   93  C   B3E A   6       2.668  -5.931   0.988  1.00  0.38           C  
HETATM   94  O   B3E A   6       1.709  -6.611   1.367  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.240  -6.424  -1.982  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.411  -6.796  -1.328  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       2.954  -8.992  -0.246  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       4.570  -8.898  -0.917  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       3.646  -8.967  -3.171  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       2.019  -9.060  -2.496  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       4.223  -7.364   0.854  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.600  -5.802   0.129  1.00  0.37           H  
ATOM    103  N   LEU A   7       2.742  -4.619   1.177  1.00  0.40           N  
ATOM    104  CA  LEU A   7       1.696  -3.896   1.871  1.00  0.51           C  
ATOM    105  C   LEU A   7       0.527  -3.643   0.938  1.00  0.54           C  
ATOM    106  O   LEU A   7      -0.618  -3.908   1.298  1.00  0.63           O  
ATOM    107  CB  LEU A   7       2.224  -2.577   2.438  1.00  0.62           C  
ATOM    108  CG  LEU A   7       3.364  -2.711   3.453  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       3.771  -1.348   3.981  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       2.961  -3.626   4.601  1.00  0.89           C  
ATOM    111  H   LEU A   7       3.516  -4.124   0.828  1.00  0.37           H  
ATOM    112  HA  LEU A   7       1.354  -4.516   2.686  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       2.572  -1.970   1.615  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       1.406  -2.063   2.919  1.00  0.77           H  
ATOM    115  HG  LEU A   7       4.221  -3.146   2.962  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       4.113  -0.733   3.161  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       4.569  -1.464   4.700  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       2.924  -0.875   4.456  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       3.739  -3.628   5.349  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       2.819  -4.629   4.229  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       2.040  -3.270   5.041  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.819  -3.160  -0.270  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.227  -2.910  -1.250  1.00  0.62           C  
ATOM    124  C   LYS A   8      -0.982  -4.203  -1.523  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.174  -4.307  -1.250  1.00  0.75           O  
ATOM    126  CB  LYS A   8       0.349  -2.346  -2.549  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -0.724  -1.872  -3.518  1.00  0.90           C  
ATOM    128  CD  LYS A   8      -0.140  -1.364  -4.825  1.00  1.14           C  
ATOM    129  CE  LYS A   8       0.496  -2.486  -5.626  1.00  1.72           C  
ATOM    130  NZ  LYS A   8       1.005  -2.017  -6.937  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.750  -2.974  -0.502  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -0.910  -2.192  -0.825  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.990  -1.510  -2.313  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       0.932  -3.114  -3.036  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -1.388  -2.695  -3.730  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -1.282  -1.073  -3.051  1.00  1.35           H  
ATOM    137  HD2 LYS A   8      -0.928  -0.920  -5.412  1.00  1.64           H  
ATOM    138  HD3 LYS A   8       0.612  -0.619  -4.606  1.00  1.57           H  
ATOM    139  HE2 LYS A   8       1.318  -2.896  -5.059  1.00  2.39           H  
ATOM    140  HE3 LYS A   8      -0.245  -3.255  -5.792  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8       1.664  -1.224  -6.806  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8       0.217  -1.699  -7.535  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8       1.503  -2.789  -7.424  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.281  -5.202  -2.043  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -0.907  -6.476  -2.300  1.00  0.57           C  
HETATM  146  CG  B3K A   9      -0.664  -6.914  -3.752  1.00  0.76           C  
HETATM  147  CD  B3K A   9      -1.162  -5.911  -4.782  1.00  1.37           C  
HETATM  148  CE  B3K A   9      -1.006  -6.432  -6.204  1.00  1.57           C  
HETATM  149  CF  B3K A   9      -1.934  -7.604  -6.479  1.00  2.17           C  
HETATM  150  NZ  B3K A   9      -1.867  -8.049  -7.897  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.341  -7.552  -1.379  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.355  -8.042  -0.377  1.00  0.43           C  
HETATM  153  O   B3K A   9      -2.255  -8.817  -0.704  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.669  -5.073  -2.249  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -1.979  -6.347  -2.090  1.00  0.62           H  
HETATM  156  HG2 B3K A   9      -1.168  -7.853  -3.920  1.00  1.17           H  
HETATM  157  HG3 B3K A   9       0.397  -7.053  -3.900  1.00  1.48           H  
HETATM  158  HD2 B3K A   9      -0.597  -4.996  -4.680  1.00  2.13           H  
HETATM  159  HD3 B3K A   9      -2.206  -5.711  -4.600  1.00  1.86           H  
HETATM  160  HE2 B3K A   9       0.016  -6.751  -6.348  1.00  2.04           H  
HETATM  161  HE3 B3K A   9      -1.235  -5.635  -6.895  1.00  1.90           H  
HETATM  162  HF1 B3K A   9      -2.946  -7.304  -6.252  1.00  2.47           H  
HETATM  163  HF2 B3K A   9      -1.652  -8.427  -5.841  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9      -0.913  -8.390  -8.122  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9      -2.097  -7.258  -8.531  1.00  3.36           H  
HETATM  166  HB1 B3K A   9      -0.017  -8.391  -1.975  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.502  -7.150  -0.838  1.00  0.45           H  
ATOM    168  N   ARG A  10      -1.207  -7.578   0.859  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -2.127  -7.931   1.927  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.443  -7.185   1.764  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.518  -7.747   1.964  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -1.522  -7.601   3.292  1.00  0.54           C  
ATOM    173  CG  ARG A  10      -0.167  -8.243   3.544  1.00  0.96           C  
ATOM    174  CD  ARG A  10       0.321  -7.977   4.959  1.00  1.33           C  
ATOM    175  NE  ARG A  10       0.413  -6.544   5.260  1.00  1.88           N  
ATOM    176  CZ  ARG A  10       0.388  -6.046   6.499  1.00  2.80           C  
ATOM    177  NH1 ARG A  10       0.293  -6.860   7.542  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10       0.463  -4.734   6.698  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.450  -6.983   1.057  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -2.317  -8.992   1.868  1.00  0.53           H  
ATOM    181  HB2 ARG A  10      -1.407  -6.530   3.371  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -2.203  -7.936   4.060  1.00  1.03           H  
ATOM    183  HG2 ARG A  10      -0.251  -9.311   3.398  1.00  1.46           H  
ATOM    184  HG3 ARG A  10       0.548  -7.837   2.843  1.00  1.60           H  
ATOM    185  HD2 ARG A  10      -0.366  -8.435   5.654  1.00  1.90           H  
ATOM    186  HD3 ARG A  10       1.298  -8.423   5.077  1.00  1.74           H  
ATOM    187  HE  ARG A  10       0.496  -5.928   4.500  1.00  2.07           H  
ATOM    188 HH11 ARG A  10       0.275  -6.486   8.476  1.00  4.18           H  
ATOM    189 HH12 ARG A  10       0.240  -7.851   7.407  1.00  3.23           H  
ATOM    190 HH21 ARG A  10       0.441  -4.366   7.635  1.00  4.28           H  
ATOM    191 HH22 ARG A  10       0.542  -4.107   5.924  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.351  -5.922   1.376  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.524  -5.068   1.256  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.100  -5.120  -0.156  1.00  0.33           C  
ATOM    195  O   TYR A  11      -5.757  -4.181  -0.599  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -4.167  -3.630   1.627  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -3.783  -3.453   3.077  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.730  -3.587   4.083  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.476  -3.152   3.443  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -4.388  -3.424   5.409  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -2.126  -2.988   4.768  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -3.086  -3.127   5.747  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -2.743  -2.963   7.072  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.472  -5.552   1.153  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.267  -5.433   1.949  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.335  -3.305   1.022  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -5.016  -2.995   1.430  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.750  -3.823   3.815  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -1.726  -3.045   2.671  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -5.138  -3.534   6.176  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -1.105  -2.752   5.031  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -3.044  -3.733   7.576  1.00  1.30           H  
HETATM  213  N   AIB A  12      -4.875  -6.243  -0.836  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.340  -6.446  -2.217  1.00  0.54           C  
HETATM  215  C   AIB A  12      -6.862  -6.261  -2.302  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.383  -5.781  -3.311  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -4.974  -7.843  -2.674  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -4.650  -5.469  -3.151  1.00  0.69           C  
HETATM  219  H   AIB A  12      -4.377  -6.963  -0.396  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -3.902  -7.971  -2.622  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -5.304  -7.988  -3.693  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -5.454  -8.570  -2.034  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -4.958  -5.661  -4.166  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -3.580  -5.587  -3.069  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -4.923  -4.459  -2.877  1.00  1.24           H  
ATOM    226  N   GLY A  13      -7.563  -6.641  -1.241  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.008  -6.518  -1.219  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.475  -5.129  -0.824  1.00  0.45           C  
ATOM    229  O   GLY A  13     -10.675  -4.873  -0.715  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.094  -7.018  -0.467  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.390  -6.747  -2.201  1.00  0.50           H  
ATOM    232  HA3 GLY A  13      -9.407  -7.233  -0.515  1.00  0.55           H  
ATOM    233  N   CYS A  14      -8.530  -4.233  -0.612  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -8.832  -2.866  -0.227  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.365  -1.912  -1.322  1.00  0.27           C  
ATOM    236  O   CYS A  14      -7.742  -2.339  -2.295  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -8.121  -2.538   1.089  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -8.319  -3.813   2.384  1.00  0.86           S  
ATOM    239  H   CYS A  14      -7.590  -4.493  -0.727  1.00  0.27           H  
ATOM    240  HA  CYS A  14      -9.900  -2.772  -0.097  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -7.064  -2.429   0.897  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -8.507  -1.608   1.480  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.678  -0.634  -1.177  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -8.184   0.374  -2.102  1.00  0.34           C  
ATOM    245  C   GLU A  15      -6.840   0.887  -1.602  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.775   1.552  -0.571  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -9.178   1.530  -2.239  1.00  0.45           C  
ATOM    248  CG  GLU A  15     -10.528   1.105  -2.794  1.00  0.46           C  
ATOM    249  CD  GLU A  15     -11.445   2.279  -3.041  1.00  1.31           C  
ATOM    250  OE1 GLU A  15     -11.434   2.820  -4.168  1.00  2.00           O  
ATOM    251  OE2 GLU A  15     -12.177   2.673  -2.111  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.240  -0.356  -0.420  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -8.048  -0.095  -3.064  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -9.336   1.973  -1.267  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.760   2.273  -2.900  1.00  0.59           H  
ATOM    256  HG2 GLU A  15     -10.372   0.587  -3.728  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -11.001   0.440  -2.087  1.00  0.96           H  
HETATM  258  N   MVA A  16      -5.748   0.596  -2.322  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -5.907   0.059  -3.692  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.403   0.858  -1.773  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.856  -0.373  -0.994  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -3.853  -1.630  -1.850  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -2.460  -0.093  -0.452  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.382   1.303  -2.829  1.00  0.33           C  
HETATM  265  O   MVA A  16      -3.078   0.598  -3.797  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -6.323  -0.938  -3.643  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -4.943   0.022  -4.177  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -6.570   0.698  -4.255  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.477   1.664  -1.054  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -4.507  -0.551  -0.151  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -3.262  -1.461  -2.737  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -4.865  -1.874  -2.134  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -3.432  -2.448  -1.287  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -2.138  -0.922   0.159  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -2.477   0.809   0.143  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -1.773   0.034  -1.275  1.00  1.04           H  
ATOM    277  N   ARG A  17      -2.839   2.489  -2.610  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -1.869   3.074  -3.510  1.00  0.46           C  
ATOM    279  C   ARG A  17      -0.512   3.159  -2.829  1.00  0.44           C  
ATOM    280  O   ARG A  17      -0.374   3.779  -1.775  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -2.321   4.469  -3.941  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -3.653   4.486  -4.673  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -3.578   3.711  -5.980  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -2.571   4.261  -6.890  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -2.052   3.587  -7.916  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -2.427   2.336  -8.151  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -1.156   4.161  -8.705  1.00  3.60           N  
ATOM    288  H   ARG A  17      -3.087   2.979  -1.792  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -1.789   2.441  -4.378  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -2.409   5.092  -3.066  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -1.571   4.888  -4.593  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -4.406   4.036  -4.042  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -3.924   5.509  -4.883  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -3.325   2.685  -5.760  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -4.543   3.747  -6.463  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -2.270   5.184  -6.727  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -3.102   1.887  -7.557  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -2.033   1.830  -8.925  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -0.767   3.652  -9.478  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -0.865   5.105  -8.536  1.00  3.84           H  
ATOM    301  N   CYS A  18       0.478   2.523  -3.425  1.00  0.49           N  
ATOM    302  CA  CYS A  18       1.828   2.559  -2.893  1.00  0.49           C  
ATOM    303  C   CYS A  18       2.613   3.662  -3.586  1.00  0.50           C  
ATOM    304  O   CYS A  18       3.196   3.444  -4.648  1.00  0.67           O  
ATOM    305  CB  CYS A  18       2.521   1.214  -3.103  1.00  0.62           C  
ATOM    306  SG  CYS A  18       4.137   1.076  -2.267  1.00  1.54           S  
ATOM    307  H   CYS A  18       0.301   2.025  -4.252  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.769   2.770  -1.835  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       1.887   0.425  -2.729  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       2.685   1.068  -4.161  1.00  1.05           H  
ATOM    311  N   ASP A  19       2.609   4.847  -2.998  1.00  0.47           N  
ATOM    312  CA  ASP A  19       3.270   5.987  -3.605  1.00  0.61           C  
ATOM    313  C   ASP A  19       4.476   6.393  -2.769  1.00  0.55           C  
ATOM    314  O   ASP A  19       4.341   7.101  -1.765  1.00  0.58           O  
ATOM    315  CB  ASP A  19       2.295   7.155  -3.745  1.00  0.81           C  
ATOM    316  CG  ASP A  19       2.825   8.238  -4.663  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       3.400   9.225  -4.149  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       2.678   8.106  -5.895  1.00  1.37           O1-
ATOM    319  H   ASP A  19       2.168   4.956  -2.126  1.00  0.47           H  
ATOM    320  HA  ASP A  19       3.607   5.689  -4.585  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       1.363   6.791  -4.147  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       2.119   7.588  -2.771  1.00  0.85           H  
HETATM  323  N   DPR A  20       5.673   5.937  -3.168  1.00  0.55           N  
HETATM  324  CA  DPR A  20       6.899   6.165  -2.404  1.00  0.55           C  
HETATM  325  CB  DPR A  20       7.987   5.464  -3.218  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.414   5.305  -4.582  1.00  0.78           C  
HETATM  327  CD  DPR A  20       5.929   5.174  -4.399  1.00  0.65           C  
HETATM  328  C   DPR A  20       6.807   5.561  -1.007  1.00  0.42           C  
HETATM  329  O   DPR A  20       6.447   4.393  -0.844  1.00  0.42           O  
HETATM  330  HA  DPR A  20       7.131   7.214  -2.329  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       8.208   4.507  -2.772  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       8.876   6.075  -3.233  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       7.815   4.418  -5.048  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       7.642   6.177  -5.178  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.653   4.137  -4.276  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       5.410   5.609  -5.238  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.121   6.354   0.022  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.081   5.903   1.411  1.00  0.50           C  
ATOM    339  C   PRO A  21       5.674   5.947   2.001  1.00  0.49           C  
ATOM    340  O   PRO A  21       5.467   5.624   3.173  1.00  0.54           O  
ATOM    341  CB  PRO A  21       7.984   6.911   2.111  1.00  0.65           C  
ATOM    342  CG  PRO A  21       7.797   8.173   1.340  1.00  0.69           C  
ATOM    343  CD  PRO A  21       7.555   7.760  -0.088  1.00  0.58           C  
ATOM    344  HA  PRO A  21       7.489   4.911   1.518  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       7.674   7.024   3.141  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       9.009   6.573   2.072  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       6.944   8.712   1.721  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       8.686   8.781   1.409  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       6.780   8.368  -0.532  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       8.466   7.835  -0.660  1.00  0.59           H  
ATOM    351  N   ARG A  22       4.707   6.348   1.188  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.345   6.502   1.659  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.440   5.435   1.076  1.00  0.39           C  
ATOM    354  O   ARG A  22       2.225   5.361  -0.135  1.00  0.44           O  
ATOM    355  CB  ARG A  22       2.822   7.896   1.326  1.00  0.67           C  
ATOM    356  CG  ARG A  22       3.587   9.001   2.034  1.00  0.83           C  
ATOM    357  CD  ARG A  22       3.422   8.913   3.544  1.00  0.97           C  
ATOM    358  NE  ARG A  22       4.334   9.815   4.245  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       4.450   9.877   5.571  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       3.656   9.144   6.348  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22       5.347  10.689   6.118  1.00  3.38           N  
ATOM    362  H   ARG A  22       4.913   6.532   0.244  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.359   6.383   2.730  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       2.901   8.054   0.261  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       1.784   7.959   1.618  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       4.635   8.911   1.791  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       3.218   9.956   1.696  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       2.407   9.176   3.799  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       3.620   7.899   3.860  1.00  1.53           H  
ATOM    370  HE  ARG A  22       4.907  10.395   3.691  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       3.744   9.187   7.346  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       2.956   8.550   5.938  1.00  1.29           H  
ATOM    373 HH21 ARG A  22       5.442  10.741   7.116  1.00  3.77           H  
ATOM    374 HH22 ARG A  22       5.937  11.255   5.533  1.00  3.90           H  
ATOM    375  N   TYR A  23       1.927   4.605   1.959  1.00  0.40           N  
ATOM    376  CA  TYR A  23       1.043   3.525   1.585  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.390   3.918   1.890  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.866   3.780   3.021  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.424   2.251   2.337  1.00  0.55           C  
ATOM    380  CG  TYR A  23       2.884   1.897   2.186  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       3.830   2.362   3.091  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       3.318   1.112   1.130  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       5.168   2.058   2.943  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       4.653   0.798   0.978  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       5.574   1.273   1.885  1.00  0.66           C  
ATOM    386  OH  TYR A  23       6.908   0.969   1.729  1.00  0.74           O  
ATOM    387  H   TYR A  23       2.149   4.729   2.905  1.00  0.52           H  
ATOM    388  HA  TYR A  23       1.148   3.356   0.524  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.219   2.384   3.387  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       0.839   1.426   1.958  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       3.507   2.976   3.919  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       2.594   0.742   0.420  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       5.886   2.431   3.657  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       4.969   0.185   0.148  1.00  0.70           H  
ATOM    395  HH  TYR A  23       7.149   1.065   0.795  1.00  1.09           H  
ATOM    396  N   GLU A  24      -1.059   4.436   0.880  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.422   4.906   1.019  1.00  0.23           C  
ATOM    398  C   GLU A  24      -3.375   3.722   0.944  1.00  0.27           C  
ATOM    399  O   GLU A  24      -3.348   2.980  -0.028  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -2.740   5.906  -0.092  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -1.855   7.142  -0.075  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -2.148   8.058   1.093  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -3.009   8.954   0.945  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -1.517   7.900   2.159  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -0.628   4.479  -0.002  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.518   5.391   1.978  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -2.616   5.415  -1.043  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -3.767   6.222   0.007  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -0.825   6.830  -0.012  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -2.008   7.692  -0.991  1.00  1.43           H  
HETATM  411  N   MVA A  25      -4.235   3.523   1.951  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.355   4.539   3.023  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -5.086   2.321   1.960  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -4.365   1.098   2.599  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -3.808   1.412   3.980  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -5.304  -0.099   2.663  1.00  0.36           C  
HETATM  417  C   MVA A  25      -6.438   2.542   2.640  1.00  0.32           C  
HETATM  418  O   MVA A  25      -6.541   2.740   3.852  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -5.187   4.291   3.662  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -4.517   5.511   2.582  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -3.448   4.554   3.608  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -5.301   2.046   0.936  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -3.535   0.832   1.963  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -4.609   1.742   4.624  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -3.064   2.190   3.899  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -3.357   0.522   4.396  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -6.155   0.144   3.283  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -4.782  -0.945   3.085  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -5.643  -0.343   1.667  1.00  1.18           H  
ATOM    430  N   HIS A  26      -7.478   2.484   1.829  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -8.843   2.613   2.300  1.00  0.48           C  
ATOM    432  C   HIS A  26      -9.540   1.277   2.132  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.568   0.721   1.036  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.595   3.693   1.516  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -9.065   5.083   1.716  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -9.617   5.983   2.606  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -8.029   5.731   1.127  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -8.945   7.118   2.556  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -7.977   6.991   1.667  1.00  0.77           N  
ATOM    440  H   HIS A  26      -7.321   2.309   0.872  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -8.820   2.875   3.347  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.537   3.465   0.462  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.630   3.687   1.820  1.00  0.67           H  
ATOM    444  HD1 HIS A  26     -10.393   5.815   3.188  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -7.373   5.331   0.368  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -9.153   8.002   3.140  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -7.278   7.659   1.489  1.00  0.91           H  
ATOM    448  N   CYS A  27     -10.081   0.748   3.207  1.00  0.63           N  
ATOM    449  CA  CYS A  27     -10.677  -0.569   3.162  1.00  0.72           C  
ATOM    450  C   CYS A  27     -12.046  -0.554   3.827  1.00  1.07           C  
ATOM    451  O   CYS A  27     -12.177  -0.813   5.025  1.00  1.52           O  
ATOM    452  CB  CYS A  27      -9.755  -1.578   3.846  1.00  0.83           C  
ATOM    453  SG  CYS A  27     -10.035  -3.304   3.342  1.00  1.10           S  
ATOM    454  H   CYS A  27     -10.083   1.253   4.048  1.00  0.68           H  
ATOM    455  HA  CYS A  27     -10.793  -0.846   2.126  1.00  0.61           H  
ATOM    456  HB2 CYS A  27      -8.730  -1.330   3.614  1.00  1.38           H  
ATOM    457  HB3 CYS A  27      -9.901  -1.518   4.912  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -13.066  -0.241   3.050  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -12.888  -0.044   2.105  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -13.961  -0.220   3.448  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
MODEL       10                                                                  
ATOM      1  N   ASN A   1      13.374  -3.148  -1.210  1.00  2.83           N  
ATOM      2  CA  ASN A   1      12.038  -2.600  -0.875  1.00  2.53           C  
ATOM      3  C   ASN A   1      10.957  -3.293  -1.694  1.00  1.75           C  
ATOM      4  O   ASN A   1      10.430  -2.731  -2.656  1.00  1.89           O  
ATOM      5  CB  ASN A   1      11.985  -1.090  -1.130  1.00  3.29           C  
ATOM      6  CG  ASN A   1      12.975  -0.323  -0.279  1.00  4.23           C  
ATOM      7  OD1 ASN A   1      13.327  -0.752   0.819  1.00  4.58           O  
ATOM      8  ND2 ASN A   1      13.423   0.820  -0.773  1.00  4.97           N  
ATOM      9  H1  ASN A   1      13.407  -4.164  -0.988  1.00  3.33           H  
ATOM     10  H2  ASN A   1      14.111  -2.661  -0.662  1.00  3.20           H  
ATOM     11  H3  ASN A   1      13.566  -3.021  -2.223  1.00  2.74           H  
ATOM     12  HA  ASN A   1      11.851  -2.787   0.172  1.00  2.86           H  
ATOM     13  HB2 ASN A   1      12.208  -0.899  -2.168  1.00  3.24           H  
ATOM     14  HB3 ASN A   1      10.992  -0.730  -0.907  1.00  3.69           H  
ATOM     15 HD21 ASN A   1      13.093   1.109  -1.654  1.00  4.96           H  
ATOM     16 HD22 ASN A   1      14.076   1.328  -0.245  1.00  5.67           H  
ATOM     17  N   ASP A   2      10.635  -4.518  -1.314  1.00  1.32           N  
ATOM     18  CA  ASP A   2       9.600  -5.286  -1.995  1.00  0.96           C  
ATOM     19  C   ASP A   2       8.233  -4.978  -1.401  1.00  0.74           C  
ATOM     20  O   ASP A   2       7.198  -5.378  -1.939  1.00  0.80           O  
ATOM     21  CB  ASP A   2       9.888  -6.787  -1.903  1.00  1.49           C  
ATOM     22  CG  ASP A   2       9.771  -7.325  -0.491  1.00  2.21           C  
ATOM     23  OD1 ASP A   2       8.994  -8.280  -0.273  1.00  2.88           O  
ATOM     24  OD2 ASP A   2      10.434  -6.781   0.414  1.00  2.65           O1-
ATOM     25  H   ASP A   2      11.113  -4.928  -0.559  1.00  1.67           H  
ATOM     26  HA  ASP A   2       9.599  -4.991  -3.033  1.00  1.19           H  
ATOM     27  HB2 ASP A   2       9.185  -7.317  -2.527  1.00  1.81           H  
ATOM     28  HB3 ASP A   2      10.890  -6.975  -2.258  1.00  2.06           H  
HETATM   29  N   B3K A   3       8.232  -4.272  -0.278  1.00  0.63           N  
HETATM   30  CA  B3K A   3       6.994  -3.892   0.366  1.00  0.56           C  
HETATM   31  CG  B3K A   3       7.037  -4.213   1.861  1.00  0.70           C  
HETATM   32  CD  B3K A   3       7.172  -5.694   2.170  1.00  0.81           C  
HETATM   33  CE  B3K A   3       7.214  -5.936   3.667  1.00  1.07           C  
HETATM   34  CF  B3K A   3       7.369  -7.409   3.996  1.00  1.41           C  
HETATM   35  NZ  B3K A   3       7.457  -7.642   5.462  1.00  1.88           N  
HETATM   36  CB  B3K A   3       6.733  -2.399   0.204  1.00  0.54           C  
HETATM   37  C   B3K A   3       5.428  -2.143  -0.502  1.00  0.52           C  
HETATM   38  O   B3K A   3       4.350  -2.415   0.033  1.00  0.53           O  
HETATM   39  H   B3K A   3       9.084  -4.010   0.124  1.00  0.74           H  
HETATM   40  HA  B3K A   3       6.197  -4.448  -0.127  1.00  0.57           H  
HETATM   41  HG2 B3K A   3       6.127  -3.854   2.320  1.00  0.79           H  
HETATM   42  HG3 B3K A   3       7.878  -3.699   2.303  1.00  0.78           H  
HETATM   43  HD2 B3K A   3       8.084  -6.065   1.726  1.00  1.10           H  
HETATM   44  HD3 B3K A   3       6.325  -6.218   1.753  1.00  0.95           H  
HETATM   45  HE2 B3K A   3       6.297  -5.571   4.107  1.00  1.22           H  
HETATM   46  HE3 B3K A   3       8.052  -5.398   4.082  1.00  1.52           H  
HETATM   47  HF1 B3K A   3       8.269  -7.776   3.527  1.00  1.96           H  
HETATM   48  HF2 B3K A   3       6.517  -7.943   3.605  1.00  1.81           H  
HETATM   49 HNZ1 B3K A   3       7.571  -8.658   5.658  1.00  2.31           H  
HETATM   50 HNZ2 B3K A   3       6.591  -7.308   5.930  1.00  2.09           H  
HETATM   51  HB1 B3K A   3       6.694  -1.940   1.179  1.00  0.63           H  
HETATM   52  HB2 B3K A   3       7.531  -1.954  -0.373  1.00  0.56           H  
ATOM     53  N   CYS A   4       5.524  -1.636  -1.720  1.00  0.53           N  
ATOM     54  CA  CYS A   4       4.353  -1.440  -2.545  1.00  0.57           C  
ATOM     55  C   CYS A   4       3.840  -2.781  -3.040  1.00  0.56           C  
ATOM     56  O   CYS A   4       2.672  -3.099  -2.844  1.00  0.78           O  
ATOM     57  CB  CYS A   4       4.664  -0.522  -3.729  1.00  0.62           C  
ATOM     58  SG  CYS A   4       5.164   1.159  -3.249  1.00  1.29           S  
ATOM     59  H   CYS A   4       6.408  -1.393  -2.073  1.00  0.55           H  
ATOM     60  HA  CYS A   4       3.592  -0.982  -1.933  1.00  0.61           H  
ATOM     61  HB2 CYS A   4       5.466  -0.950  -4.310  1.00  1.21           H  
ATOM     62  HB3 CYS A   4       3.783  -0.437  -4.346  1.00  1.09           H  
ATOM     63  N   LYS A   5       4.736  -3.578  -3.632  1.00  0.45           N  
ATOM     64  CA  LYS A   5       4.367  -4.868  -4.212  1.00  0.47           C  
ATOM     65  C   LYS A   5       3.646  -5.727  -3.179  1.00  0.34           C  
ATOM     66  O   LYS A   5       2.441  -5.965  -3.289  1.00  0.35           O  
ATOM     67  CB  LYS A   5       5.606  -5.601  -4.734  1.00  0.57           C  
ATOM     68  CG  LYS A   5       6.396  -4.820  -5.771  1.00  0.70           C  
ATOM     69  CD  LYS A   5       7.660  -5.563  -6.175  1.00  1.19           C  
ATOM     70  CE  LYS A   5       8.557  -4.713  -7.061  1.00  1.84           C  
ATOM     71  NZ  LYS A   5       7.924  -4.389  -8.367  1.00  2.67           N1+
ATOM     72  H   LYS A   5       5.677  -3.298  -3.661  1.00  0.48           H  
ATOM     73  HA  LYS A   5       3.695  -4.679  -5.036  1.00  0.58           H  
ATOM     74  HB2 LYS A   5       6.260  -5.812  -3.901  1.00  0.56           H  
ATOM     75  HB3 LYS A   5       5.293  -6.534  -5.179  1.00  0.62           H  
ATOM     76  HG2 LYS A   5       5.780  -4.674  -6.645  1.00  1.22           H  
ATOM     77  HG3 LYS A   5       6.669  -3.862  -5.356  1.00  0.84           H  
ATOM     78  HD2 LYS A   5       8.205  -5.833  -5.284  1.00  1.31           H  
ATOM     79  HD3 LYS A   5       7.380  -6.457  -6.713  1.00  2.04           H  
ATOM     80  HE2 LYS A   5       8.780  -3.793  -6.545  1.00  2.28           H  
ATOM     81  HE3 LYS A   5       9.476  -5.253  -7.241  1.00  2.17           H  
ATOM     82  HZ1 LYS A   5       7.036  -3.871  -8.219  1.00  3.19           H  
ATOM     83  HZ2 LYS A   5       7.719  -5.264  -8.892  1.00  2.92           H  
ATOM     84  HZ3 LYS A   5       8.565  -3.802  -8.938  1.00  3.13           H  
HETATM   85  N   B3E A   6       4.378  -6.184  -2.173  1.00  0.30           N  
HETATM   86  CA  B3E A   6       3.775  -6.978  -1.130  1.00  0.30           C  
HETATM   87  CG  B3E A   6       4.470  -8.338  -1.016  1.00  0.49           C  
HETATM   88  CD  B3E A   6       4.442  -9.152  -2.299  1.00  0.97           C  
HETATM   89  CE  B3E A   6       4.924 -10.569  -2.089  1.00  1.16           C  
HETATM   90  OF2 B3E A   6       6.149 -10.798  -2.089  1.00  1.78           O  
HETATM   91  OF1 B3E A   6       4.075 -11.465  -1.909  1.00  1.43           O  
HETATM   92  CB  B3E A   6       3.906  -6.281   0.219  1.00  0.35           C  
HETATM   93  C   B3E A   6       2.586  -5.782   0.749  1.00  0.38           C  
HETATM   94  O   B3E A   6       1.701  -6.560   1.125  1.00  0.46           O  
HETATM   95  H   B3E A   6       5.341  -5.976  -2.135  1.00  0.36           H  
HETATM   96  HA  B3E A   6       2.712  -7.081  -1.390  1.00  0.33           H  
HETATM   97  HG2 B3E A   6       3.984  -8.912  -0.242  1.00  0.69           H  
HETATM   98  HG3 B3E A   6       5.502  -8.181  -0.739  1.00  0.77           H  
HETATM   99  HD2 B3E A   6       5.079  -8.674  -3.028  1.00  1.25           H  
HETATM  100  HD3 B3E A   6       3.430  -9.182  -2.670  1.00  1.25           H  
HETATM  101  HB1 B3E A   6       4.316  -6.978   0.933  1.00  0.45           H  
HETATM  102  HB2 B3E A   6       4.571  -5.439   0.121  1.00  0.37           H  
ATOM    103  N   LEU A   7       2.441  -4.465   0.764  1.00  0.40           N  
ATOM    104  CA  LEU A   7       1.243  -3.851   1.286  1.00  0.51           C  
ATOM    105  C   LEU A   7       0.118  -3.896   0.261  1.00  0.54           C  
ATOM    106  O   LEU A   7      -1.012  -4.210   0.619  1.00  0.63           O  
ATOM    107  CB  LEU A   7       1.521  -2.419   1.743  1.00  0.62           C  
ATOM    108  CG  LEU A   7       2.563  -2.297   2.860  1.00  0.70           C  
ATOM    109  CD1 LEU A   7       2.734  -0.851   3.280  1.00  0.89           C  
ATOM    110  CD2 LEU A   7       2.181  -3.152   4.062  1.00  0.89           C  
ATOM    111  H   LEU A   7       3.161  -3.892   0.413  1.00  0.37           H  
ATOM    112  HA  LEU A   7       0.936  -4.431   2.142  1.00  0.55           H  
ATOM    113  HB2 LEU A   7       1.863  -1.851   0.890  1.00  0.58           H  
ATOM    114  HB3 LEU A   7       0.597  -1.989   2.096  1.00  0.77           H  
ATOM    115  HG  LEU A   7       3.516  -2.649   2.492  1.00  1.04           H  
ATOM    116 HD11 LEU A   7       3.469  -0.790   4.068  1.00  1.50           H  
ATOM    117 HD12 LEU A   7       1.789  -0.468   3.637  1.00  1.27           H  
ATOM    118 HD13 LEU A   7       3.064  -0.269   2.432  1.00  1.36           H  
ATOM    119 HD21 LEU A   7       2.214  -4.196   3.790  1.00  1.39           H  
ATOM    120 HD22 LEU A   7       1.183  -2.895   4.382  1.00  1.63           H  
ATOM    121 HD23 LEU A   7       2.875  -2.967   4.868  1.00  1.17           H  
ATOM    122  N   LYS A   8       0.415  -3.615  -1.013  1.00  0.53           N  
ATOM    123  CA  LYS A   8      -0.619  -3.706  -2.036  1.00  0.62           C  
ATOM    124  C   LYS A   8      -1.153  -5.128  -2.075  1.00  0.61           C  
ATOM    125  O   LYS A   8      -2.343  -5.354  -1.880  1.00  0.75           O  
ATOM    126  CB  LYS A   8      -0.107  -3.277  -3.416  1.00  0.70           C  
ATOM    127  CG  LYS A   8      -1.176  -3.323  -4.496  1.00  0.90           C  
ATOM    128  CD  LYS A   8      -0.690  -2.723  -5.806  1.00  1.14           C  
ATOM    129  CE  LYS A   8       0.451  -3.525  -6.413  1.00  1.72           C  
ATOM    130  NZ  LYS A   8       0.882  -2.966  -7.722  1.00  1.77           N1+
ATOM    131  H   LYS A   8       1.329  -3.356  -1.263  1.00  0.49           H  
ATOM    132  HA  LYS A   8      -1.421  -3.048  -1.740  1.00  0.69           H  
ATOM    133  HB2 LYS A   8       0.266  -2.265  -3.351  1.00  0.72           H  
ATOM    134  HB3 LYS A   8       0.701  -3.930  -3.710  1.00  0.64           H  
ATOM    135  HG2 LYS A   8      -1.454  -4.352  -4.665  1.00  0.87           H  
ATOM    136  HG3 LYS A   8      -2.037  -2.768  -4.155  1.00  1.35           H  
ATOM    137  HD2 LYS A   8      -1.510  -2.705  -6.506  1.00  1.64           H  
ATOM    138  HD3 LYS A   8      -0.349  -1.715  -5.623  1.00  1.57           H  
ATOM    139  HE2 LYS A   8       1.289  -3.507  -5.731  1.00  2.39           H  
ATOM    140  HE3 LYS A   8       0.124  -4.544  -6.555  1.00  2.33           H  
ATOM    141  HZ1 LYS A   8       0.086  -2.968  -8.392  1.00  1.85           H  
ATOM    142  HZ2 LYS A   8       1.652  -3.539  -8.118  1.00  2.07           H  
ATOM    143  HZ3 LYS A   8       1.218  -1.990  -7.603  1.00  2.32           H  
HETATM  144  N   B3K A   9      -0.267  -6.090  -2.298  1.00  0.53           N  
HETATM  145  CA  B3K A   9      -0.666  -7.472  -2.309  1.00  0.57           C  
HETATM  146  CG  B3K A   9      -0.067  -8.187  -3.528  1.00  0.76           C  
HETATM  147  CD  B3K A   9      -0.547  -7.648  -4.868  1.00  1.37           C  
HETATM  148  CE  B3K A   9       0.152  -8.346  -6.027  1.00  1.57           C  
HETATM  149  CF  B3K A   9      -0.124  -9.844  -6.031  1.00  2.17           C  
HETATM  150  NZ  B3K A   9       0.666 -10.553  -7.070  1.00  2.88           N  
HETATM  151  CB  B3K A   9      -0.132  -8.189  -1.070  1.00  0.48           C  
HETATM  152  C   B3K A   9      -1.178  -8.414  -0.011  1.00  0.43           C  
HETATM  153  O   B3K A   9      -2.061  -9.262  -0.149  1.00  0.57           O  
HETATM  154  H   B3K A   9       0.678  -5.856  -2.457  1.00  0.51           H  
HETATM  155  HA  B3K A   9      -1.770  -7.486  -2.308  1.00  0.62           H  
HETATM  156  HG2 B3K A   9      -0.324  -9.234  -3.473  1.00  1.17           H  
HETATM  157  HG3 B3K A   9       1.008  -8.090  -3.492  1.00  1.48           H  
HETATM  158  HD2 B3K A   9      -0.338  -6.589  -4.917  1.00  2.13           H  
HETATM  159  HD3 B3K A   9      -1.612  -7.811  -4.951  1.00  1.86           H  
HETATM  160  HE2 B3K A   9       1.215  -8.185  -5.942  1.00  2.04           H  
HETATM  161  HE3 B3K A   9      -0.204  -7.924  -6.955  1.00  1.90           H  
HETATM  162  HF1 B3K A   9      -1.176 -10.004  -6.219  1.00  2.47           H  
HETATM  163  HF2 B3K A   9       0.132 -10.247  -5.063  1.00  2.60           H  
HETATM  164 HNZ1 B3K A   9       0.463 -11.574  -7.036  1.00  3.28           H  
HETATM  165 HNZ2 B3K A   9       1.684 -10.410  -6.906  1.00  3.36           H  
HETATM  166  HB1 B3K A   9       0.261  -9.148  -1.366  1.00  0.58           H  
HETATM  167  HB2 B3K A   9       0.662  -7.598  -0.638  1.00  0.45           H  
ATOM    168  N   ARG A  10      -1.076  -7.634   1.059  1.00  0.34           N  
ATOM    169  CA  ARG A  10      -1.968  -7.768   2.204  1.00  0.41           C  
ATOM    170  C   ARG A  10      -3.290  -7.030   1.994  1.00  0.34           C  
ATOM    171  O   ARG A  10      -4.314  -7.412   2.559  1.00  0.44           O  
ATOM    172  CB  ARG A  10      -1.286  -7.241   3.468  1.00  0.54           C  
ATOM    173  CG  ARG A  10       0.004  -7.965   3.817  1.00  0.96           C  
ATOM    174  CD  ARG A  10       0.637  -7.406   5.083  1.00  1.33           C  
ATOM    175  NE  ARG A  10       1.933  -8.024   5.361  1.00  1.88           N  
ATOM    176  CZ  ARG A  10       2.691  -7.739   6.420  1.00  2.80           C  
ATOM    177  NH1 ARG A  10       2.283  -6.853   7.321  1.00  3.36           N1+
ATOM    178  NH2 ARG A  10       3.857  -8.350   6.580  1.00  3.57           N  
ATOM    179  H   ARG A  10      -0.361  -6.955   1.085  1.00  0.33           H  
ATOM    180  HA  ARG A  10      -2.177  -8.817   2.333  1.00  0.53           H  
ATOM    181  HB2 ARG A  10      -1.059  -6.193   3.330  1.00  0.88           H  
ATOM    182  HB3 ARG A  10      -1.967  -7.344   4.297  1.00  1.03           H  
ATOM    183  HG2 ARG A  10      -0.212  -9.012   3.968  1.00  1.46           H  
ATOM    184  HG3 ARG A  10       0.700  -7.853   2.999  1.00  1.60           H  
ATOM    185  HD2 ARG A  10       0.774  -6.341   4.962  1.00  1.90           H  
ATOM    186  HD3 ARG A  10      -0.027  -7.591   5.914  1.00  1.74           H  
ATOM    187  HE  ARG A  10       2.262  -8.691   4.712  1.00  2.07           H  
ATOM    188 HH11 ARG A  10       2.860  -6.643   8.116  1.00  4.18           H  
ATOM    189 HH12 ARG A  10       1.398  -6.394   7.217  1.00  3.23           H  
ATOM    190 HH21 ARG A  10       4.435  -8.141   7.373  1.00  4.28           H  
ATOM    191 HH22 ARG A  10       4.164  -9.036   5.911  1.00  3.66           H  
ATOM    192  N   TYR A  11      -3.272  -5.979   1.188  1.00  0.27           N  
ATOM    193  CA  TYR A  11      -4.454  -5.141   1.005  1.00  0.28           C  
ATOM    194  C   TYR A  11      -5.112  -5.383  -0.353  1.00  0.33           C  
ATOM    195  O   TYR A  11      -5.719  -4.477  -0.927  1.00  0.39           O  
ATOM    196  CB  TYR A  11      -4.079  -3.665   1.157  1.00  0.31           C  
ATOM    197  CG  TYR A  11      -3.597  -3.301   2.544  1.00  0.34           C  
ATOM    198  CD1 TYR A  11      -4.388  -3.541   3.661  1.00  0.39           C  
ATOM    199  CD2 TYR A  11      -2.354  -2.713   2.739  1.00  0.44           C  
ATOM    200  CE1 TYR A  11      -3.953  -3.208   4.927  1.00  0.48           C  
ATOM    201  CE2 TYR A  11      -1.912  -2.378   4.003  1.00  0.53           C  
ATOM    202  CZ  TYR A  11      -2.714  -2.627   5.093  1.00  0.53           C  
ATOM    203  OH  TYR A  11      -2.276  -2.299   6.356  1.00  0.67           O  
ATOM    204  H   TYR A  11      -2.448  -5.757   0.702  1.00  0.29           H  
ATOM    205  HA  TYR A  11      -5.157  -5.401   1.779  1.00  0.31           H  
ATOM    206  HB2 TYR A  11      -3.290  -3.429   0.460  1.00  0.35           H  
ATOM    207  HB3 TYR A  11      -4.941  -3.057   0.934  1.00  0.36           H  
ATOM    208  HD1 TYR A  11      -5.357  -3.998   3.528  1.00  0.42           H  
ATOM    209  HD2 TYR A  11      -1.724  -2.521   1.882  1.00  0.50           H  
ATOM    210  HE1 TYR A  11      -4.581  -3.402   5.782  1.00  0.57           H  
ATOM    211  HE2 TYR A  11      -0.944  -1.922   4.132  1.00  0.65           H  
ATOM    212  HH  TYR A  11      -1.980  -1.379   6.360  1.00  1.30           H  
HETATM  213  N   AIB A  12      -5.013  -6.621  -0.834  1.00  0.43           N  
HETATM  214  CA  AIB A  12      -5.595  -7.031  -2.125  1.00  0.54           C  
HETATM  215  C   AIB A  12      -7.080  -6.642  -2.199  1.00  0.47           C  
HETATM  216  O   AIB A  12      -7.571  -6.219  -3.249  1.00  0.92           O  
HETATM  217  CB1 AIB A  12      -5.456  -8.532  -2.282  1.00  0.74           C  
HETATM  218  CB2 AIB A  12      -4.838  -6.388  -3.272  1.00  0.69           C  
HETATM  219  H   AIB A  12      -4.525  -7.287  -0.307  1.00  0.49           H  
HETATM  220 HB11 AIB A  12      -4.415  -8.808  -2.204  1.00  1.39           H  
HETATM  221 HB12 AIB A  12      -5.836  -8.829  -3.248  1.00  1.37           H  
HETATM  222 HB13 AIB A  12      -6.019  -9.029  -1.506  1.00  1.06           H  
HETATM  223 HB21 AIB A  12      -3.796  -6.664  -3.216  1.00  1.21           H  
HETATM  224 HB22 AIB A  12      -4.931  -5.315  -3.207  1.00  1.24           H  
HETATM  225 HB23 AIB A  12      -5.250  -6.728  -4.210  1.00  1.24           H  
ATOM    226  N   GLY A  13      -7.783  -6.778  -1.084  1.00  0.60           N  
ATOM    227  CA  GLY A  13      -9.205  -6.497  -1.065  1.00  0.51           C  
ATOM    228  C   GLY A  13      -9.525  -5.099  -0.574  1.00  0.45           C  
ATOM    229  O   GLY A  13     -10.640  -4.832  -0.124  1.00  0.65           O  
ATOM    230  H   GLY A  13      -7.332  -7.070  -0.263  1.00  1.04           H  
ATOM    231  HA2 GLY A  13      -9.593  -6.610  -2.066  1.00  0.50           H  
ATOM    232  HA3 GLY A  13      -9.691  -7.211  -0.421  1.00  0.55           H  
ATOM    233  N   CYS A  14      -8.552  -4.209  -0.648  1.00  0.27           N  
ATOM    234  CA  CYS A  14      -8.744  -2.830  -0.234  1.00  0.25           C  
ATOM    235  C   CYS A  14      -8.243  -1.888  -1.319  1.00  0.27           C  
ATOM    236  O   CYS A  14      -7.514  -2.305  -2.219  1.00  0.41           O  
ATOM    237  CB  CYS A  14      -7.982  -2.560   1.064  1.00  0.34           C  
ATOM    238  SG  CYS A  14      -8.452  -3.642   2.455  1.00  0.86           S  
ATOM    239  H   CYS A  14      -7.671  -4.484  -0.990  1.00  0.27           H  
ATOM    240  HA  CYS A  14      -9.798  -2.666  -0.074  1.00  0.27           H  
ATOM    241  HB2 CYS A  14      -6.928  -2.698   0.882  1.00  0.74           H  
ATOM    242  HB3 CYS A  14      -8.155  -1.538   1.368  1.00  0.72           H  
ATOM    243  N   GLU A  15      -8.654  -0.631  -1.253  1.00  0.25           N  
ATOM    244  CA  GLU A  15      -8.089   0.386  -2.125  1.00  0.34           C  
ATOM    245  C   GLU A  15      -6.714   0.769  -1.600  1.00  0.35           C  
ATOM    246  O   GLU A  15      -6.583   1.171  -0.447  1.00  0.50           O  
ATOM    247  CB  GLU A  15      -8.989   1.623  -2.192  1.00  0.45           C  
ATOM    248  CG  GLU A  15     -10.324   1.370  -2.866  1.00  0.46           C  
ATOM    249  CD  GLU A  15     -10.175   0.809  -4.266  1.00  1.31           C  
ATOM    250  OE1 GLU A  15      -9.521   1.466  -5.104  1.00  2.00           O  
ATOM    251  OE2 GLU A  15     -10.713  -0.285  -4.542  1.00  1.87           O1-
ATOM    252  H   GLU A  15      -9.346  -0.379  -0.599  1.00  0.26           H  
ATOM    253  HA  GLU A  15      -7.988  -0.038  -3.111  1.00  0.38           H  
ATOM    254  HB2 GLU A  15      -9.178   1.971  -1.187  1.00  0.46           H  
ATOM    255  HB3 GLU A  15      -8.473   2.397  -2.740  1.00  0.59           H  
ATOM    256  HG2 GLU A  15     -10.883   0.664  -2.272  1.00  1.02           H  
ATOM    257  HG3 GLU A  15     -10.866   2.301  -2.921  1.00  0.96           H  
HETATM  258  N   MVA A  16      -5.666   0.658  -2.421  1.00  0.29           N  
HETATM  259  CN  MVA A  16      -5.896   0.357  -3.854  1.00  0.39           C  
HETATM  260  CA  MVA A  16      -4.300   0.873  -1.908  1.00  0.28           C  
HETATM  261  CB  MVA A  16      -3.655  -0.460  -1.423  1.00  0.35           C  
HETATM  262  CG1 MVA A  16      -3.635  -1.518  -2.516  1.00  0.46           C  
HETATM  263  CG2 MVA A  16      -2.249  -0.213  -0.892  1.00  0.37           C  
HETATM  264  C   MVA A  16      -3.382   1.572  -2.916  1.00  0.33           C  
HETATM  265  O   MVA A  16      -3.091   1.066  -4.005  1.00  0.42           O  
HETATM  266  HN1 MVA A  16      -4.978   0.497  -4.403  1.00  0.97           H  
HETATM  267  HN2 MVA A  16      -6.654   1.021  -4.245  1.00  1.01           H  
HETATM  268  HN3 MVA A  16      -6.224  -0.667  -3.960  1.00  0.88           H  
HETATM  269  HA  MVA A  16      -4.357   1.519  -1.040  1.00  0.26           H  
HETATM  270  HB  MVA A  16      -4.254  -0.841  -0.609  1.00  0.38           H  
HETATM  271 HG11 MVA A  16      -3.031  -1.170  -3.341  1.00  1.06           H  
HETATM  272 HG12 MVA A  16      -4.642  -1.700  -2.859  1.00  1.18           H  
HETATM  273 HG13 MVA A  16      -3.218  -2.432  -2.124  1.00  1.14           H  
HETATM  274 HG21 MVA A  16      -2.291   0.492  -0.073  1.00  1.02           H  
HETATM  275 HG22 MVA A  16      -1.631   0.192  -1.682  1.00  1.13           H  
HETATM  276 HG23 MVA A  16      -1.824  -1.144  -0.546  1.00  1.04           H  
ATOM    277  N   ARG A  17      -2.925   2.752  -2.534  1.00  0.35           N  
ATOM    278  CA  ARG A  17      -2.071   3.555  -3.389  1.00  0.46           C  
ATOM    279  C   ARG A  17      -0.702   3.703  -2.748  1.00  0.44           C  
ATOM    280  O   ARG A  17      -0.529   4.479  -1.804  1.00  0.55           O  
ATOM    281  CB  ARG A  17      -2.676   4.943  -3.621  1.00  0.56           C  
ATOM    282  CG  ARG A  17      -4.146   4.928  -4.009  1.00  0.67           C  
ATOM    283  CD  ARG A  17      -4.388   4.151  -5.293  1.00  1.18           C  
ATOM    284  NE  ARG A  17      -3.662   4.712  -6.430  1.00  1.85           N  
ATOM    285  CZ  ARG A  17      -4.037   4.558  -7.696  1.00  2.69           C  
ATOM    286  NH1 ARG A  17      -5.146   3.886  -7.993  1.00  3.08           N1+
ATOM    287  NH2 ARG A  17      -3.304   5.081  -8.665  1.00  3.60           N  
ATOM    288  H   ARG A  17      -3.143   3.080  -1.631  1.00  0.34           H  
ATOM    289  HA  ARG A  17      -1.968   3.047  -4.335  1.00  0.55           H  
ATOM    290  HB2 ARG A  17      -2.573   5.521  -2.719  1.00  0.53           H  
ATOM    291  HB3 ARG A  17      -2.125   5.429  -4.411  1.00  0.66           H  
ATOM    292  HG2 ARG A  17      -4.710   4.468  -3.212  1.00  1.13           H  
ATOM    293  HG3 ARG A  17      -4.481   5.946  -4.144  1.00  0.96           H  
ATOM    294  HD2 ARG A  17      -4.069   3.131  -5.145  1.00  1.73           H  
ATOM    295  HD3 ARG A  17      -5.445   4.167  -5.511  1.00  1.74           H  
ATOM    296  HE  ARG A  17      -2.843   5.228  -6.238  1.00  2.20           H  
ATOM    297 HH11 ARG A  17      -5.709   3.491  -7.263  1.00  2.90           H  
ATOM    298 HH12 ARG A  17      -5.428   3.777  -8.950  1.00  3.86           H  
ATOM    299 HH21 ARG A  17      -3.579   4.973  -9.624  1.00  4.26           H  
ATOM    300 HH22 ARG A  17      -2.467   5.592  -8.444  1.00  3.84           H  
ATOM    301  N   CYS A  18       0.259   2.946  -3.238  1.00  0.49           N  
ATOM    302  CA  CYS A  18       1.611   3.025  -2.723  1.00  0.49           C  
ATOM    303  C   CYS A  18       2.476   3.882  -3.628  1.00  0.50           C  
ATOM    304  O   CYS A  18       2.617   3.602  -4.824  1.00  0.67           O  
ATOM    305  CB  CYS A  18       2.228   1.636  -2.592  1.00  0.62           C  
ATOM    306  SG  CYS A  18       3.856   1.633  -1.772  1.00  1.54           S  
ATOM    307  H   CYS A  18       0.057   2.320  -3.967  1.00  0.63           H  
ATOM    308  HA  CYS A  18       1.567   3.482  -1.745  1.00  0.48           H  
ATOM    309  HB2 CYS A  18       1.565   1.008  -2.017  1.00  1.22           H  
ATOM    310  HB3 CYS A  18       2.356   1.215  -3.578  1.00  1.05           H  
ATOM    311  N   ASP A  19       3.039   4.931  -3.059  1.00  0.47           N  
ATOM    312  CA  ASP A  19       3.953   5.796  -3.779  1.00  0.61           C  
ATOM    313  C   ASP A  19       5.172   6.067  -2.911  1.00  0.55           C  
ATOM    314  O   ASP A  19       5.149   6.951  -2.049  1.00  0.58           O  
ATOM    315  CB  ASP A  19       3.277   7.110  -4.168  1.00  0.81           C  
ATOM    316  CG  ASP A  19       4.082   7.890  -5.189  1.00  1.13           C  
ATOM    317  OD1 ASP A  19       4.890   8.756  -4.793  1.00  1.50           O  
ATOM    318  OD2 ASP A  19       3.904   7.644  -6.405  1.00  1.37           O1-
ATOM    319  H   ASP A  19       2.844   5.124  -2.114  1.00  0.47           H  
ATOM    320  HA  ASP A  19       4.265   5.278  -4.673  1.00  0.71           H  
ATOM    321  HB2 ASP A  19       2.305   6.897  -4.588  1.00  1.08           H  
ATOM    322  HB3 ASP A  19       3.159   7.721  -3.286  1.00  0.85           H  
HETATM  323  N   DPR A  20       6.243   5.291  -3.114  1.00  0.55           N  
HETATM  324  CA  DPR A  20       7.455   5.374  -2.296  1.00  0.55           C  
HETATM  325  CB  DPR A  20       8.346   4.260  -2.844  1.00  0.68           C  
HETATM  326  CG  DPR A  20       7.838   3.998  -4.217  1.00  0.78           C  
HETATM  327  CD  DPR A  20       6.364   4.274  -4.171  1.00  0.65           C  
HETATM  328  C   DPR A  20       7.161   5.148  -0.813  1.00  0.42           C  
HETATM  329  O   DPR A  20       6.696   4.077  -0.415  1.00  0.42           O  
HETATM  330  HA  DPR A  20       7.952   6.319  -2.423  1.00  0.65           H  
HETATM  331  HB2 DPR A  20       8.256   3.386  -2.219  1.00  0.66           H  
HETATM  332  HB3 DPR A  20       9.372   4.594  -2.860  1.00  0.79           H  
HETATM  333  HG2 DPR A  20       8.020   2.969  -4.487  1.00  0.86           H  
HETATM  334  HG3 DPR A  20       8.322   4.661  -4.919  1.00  0.90           H  
HETATM  335  HD2 DPR A  20       5.819   3.379  -3.910  1.00  0.61           H  
HETATM  336  HD3 DPR A  20       6.028   4.662  -5.120  1.00  0.75           H  
ATOM    337  N   PRO A  21       7.439   6.159   0.022  1.00  0.45           N  
ATOM    338  CA  PRO A  21       7.185   6.094   1.463  1.00  0.50           C  
ATOM    339  C   PRO A  21       5.710   6.271   1.826  1.00  0.49           C  
ATOM    340  O   PRO A  21       5.320   6.058   2.975  1.00  0.54           O  
ATOM    341  CB  PRO A  21       8.004   7.262   2.010  1.00  0.65           C  
ATOM    342  CG  PRO A  21       8.048   8.244   0.893  1.00  0.69           C  
ATOM    343  CD  PRO A  21       8.064   7.432  -0.373  1.00  0.58           C  
ATOM    344  HA  PRO A  21       7.549   5.172   1.884  1.00  0.53           H  
ATOM    345  HB2 PRO A  21       7.513   7.672   2.879  1.00  0.77           H  
ATOM    346  HB3 PRO A  21       8.993   6.921   2.274  1.00  0.69           H  
ATOM    347  HG2 PRO A  21       7.171   8.873   0.921  1.00  0.78           H  
ATOM    348  HG3 PRO A  21       8.943   8.842   0.965  1.00  0.77           H  
ATOM    349  HD2 PRO A  21       7.490   7.918  -1.143  1.00  0.68           H  
ATOM    350  HD3 PRO A  21       9.079   7.272  -0.703  1.00  0.59           H  
ATOM    351  N   ARG A  22       4.890   6.662   0.856  1.00  0.47           N  
ATOM    352  CA  ARG A  22       3.477   6.896   1.118  1.00  0.51           C  
ATOM    353  C   ARG A  22       2.661   5.645   0.845  1.00  0.39           C  
ATOM    354  O   ARG A  22       2.661   5.115  -0.265  1.00  0.44           O  
ATOM    355  CB  ARG A  22       2.949   8.061   0.281  1.00  0.67           C  
ATOM    356  CG  ARG A  22       3.471   9.420   0.724  1.00  0.83           C  
ATOM    357  CD  ARG A  22       3.036   9.758   2.145  1.00  0.97           C  
ATOM    358  NE  ARG A  22       1.578   9.787   2.288  1.00  1.82           N  
ATOM    359  CZ  ARG A  22       0.944   9.724   3.461  1.00  2.26           C  
ATOM    360  NH1 ARG A  22       1.635   9.666   4.593  1.00  1.78           N1+
ATOM    361  NH2 ARG A  22      -0.383   9.732   3.500  1.00  3.38           N  
ATOM    362  H   ARG A  22       5.239   6.777  -0.059  1.00  0.47           H  
ATOM    363  HA  ARG A  22       3.378   7.144   2.163  1.00  0.61           H  
ATOM    364  HB2 ARG A  22       3.237   7.908  -0.748  1.00  0.65           H  
ATOM    365  HB3 ARG A  22       1.872   8.073   0.345  1.00  0.77           H  
ATOM    366  HG2 ARG A  22       4.549   9.409   0.683  1.00  0.80           H  
ATOM    367  HG3 ARG A  22       3.091  10.175   0.052  1.00  0.96           H  
ATOM    368  HD2 ARG A  22       3.438   9.016   2.818  1.00  1.02           H  
ATOM    369  HD3 ARG A  22       3.432  10.728   2.407  1.00  1.53           H  
ATOM    370  HE  ARG A  22       1.043   9.852   1.464  1.00  2.34           H  
ATOM    371 HH11 ARG A  22       1.158   9.618   5.474  1.00  2.19           H  
ATOM    372 HH12 ARG A  22       2.639   9.676   4.575  1.00  1.29           H  
ATOM    373 HH21 ARG A  22      -0.865   9.684   4.381  1.00  3.77           H  
ATOM    374 HH22 ARG A  22      -0.913   9.789   2.651  1.00  3.90           H  
ATOM    375  N   TYR A  23       1.963   5.182   1.867  1.00  0.40           N  
ATOM    376  CA  TYR A  23       1.172   3.970   1.770  1.00  0.41           C  
ATOM    377  C   TYR A  23      -0.286   4.270   2.078  1.00  0.42           C  
ATOM    378  O   TYR A  23      -0.698   4.280   3.238  1.00  0.67           O  
ATOM    379  CB  TYR A  23       1.697   2.918   2.744  1.00  0.55           C  
ATOM    380  CG  TYR A  23       3.171   2.620   2.591  1.00  0.56           C  
ATOM    381  CD1 TYR A  23       4.081   3.021   3.557  1.00  0.60           C  
ATOM    382  CD2 TYR A  23       3.652   1.947   1.476  1.00  0.59           C  
ATOM    383  CE1 TYR A  23       5.429   2.763   3.418  1.00  0.65           C  
ATOM    384  CE2 TYR A  23       4.999   1.681   1.330  1.00  0.64           C  
ATOM    385  CZ  TYR A  23       5.878   2.055   2.315  1.00  0.66           C  
ATOM    386  OH  TYR A  23       7.230   1.832   2.162  1.00  0.74           O  
ATOM    387  H   TYR A  23       1.972   5.678   2.714  1.00  0.52           H  
ATOM    388  HA  TYR A  23       1.252   3.594   0.760  1.00  0.42           H  
ATOM    389  HB2 TYR A  23       1.534   3.261   3.753  1.00  0.63           H  
ATOM    390  HB3 TYR A  23       1.153   1.997   2.590  1.00  0.64           H  
ATOM    391  HD1 TYR A  23       3.722   3.543   4.430  1.00  0.62           H  
ATOM    392  HD2 TYR A  23       2.955   1.626   0.717  1.00  0.61           H  
ATOM    393  HE1 TYR A  23       6.120   3.085   4.183  1.00  0.70           H  
ATOM    394  HE2 TYR A  23       5.352   1.155   0.456  1.00  0.70           H  
ATOM    395  HH  TYR A  23       7.584   1.527   3.006  1.00  1.09           H  
ATOM    396  N   GLU A  24      -1.063   4.518   1.041  1.00  0.23           N  
ATOM    397  CA  GLU A  24      -2.466   4.861   1.209  1.00  0.23           C  
ATOM    398  C   GLU A  24      -3.333   3.609   1.140  1.00  0.27           C  
ATOM    399  O   GLU A  24      -3.147   2.782   0.252  1.00  0.40           O  
ATOM    400  CB  GLU A  24      -2.897   5.850   0.133  1.00  0.29           C  
ATOM    401  CG  GLU A  24      -2.181   7.186   0.209  1.00  0.76           C  
ATOM    402  CD  GLU A  24      -2.642   8.145  -0.864  1.00  1.30           C  
ATOM    403  OE1 GLU A  24      -3.775   8.657  -0.759  1.00  1.56           O  
ATOM    404  OE2 GLU A  24      -1.874   8.396  -1.815  1.00  2.02           O1-
ATOM    405  H   GLU A  24      -0.689   4.456   0.134  1.00  0.27           H  
ATOM    406  HA  GLU A  24      -2.582   5.319   2.178  1.00  0.25           H  
ATOM    407  HB2 GLU A  24      -2.699   5.415  -0.832  1.00  0.56           H  
ATOM    408  HB3 GLU A  24      -3.957   6.026   0.226  1.00  0.60           H  
ATOM    409  HG2 GLU A  24      -2.373   7.631   1.175  1.00  1.38           H  
ATOM    410  HG3 GLU A  24      -1.121   7.020   0.091  1.00  1.43           H  
HETATM  411  N   MVA A  25      -4.299   3.452   2.062  1.00  0.24           N  
HETATM  412  CN  MVA A  25      -4.513   4.515   3.072  1.00  0.31           C  
HETATM  413  CA  MVA A  25      -5.145   2.241   2.062  1.00  0.27           C  
HETATM  414  CB  MVA A  25      -4.428   1.047   2.749  1.00  0.31           C  
HETATM  415  CG1 MVA A  25      -4.012   1.372   4.177  1.00  0.37           C  
HETATM  416  CG2 MVA A  25      -5.310  -0.191   2.720  1.00  0.36           C  
HETATM  417  C   MVA A  25      -6.530   2.449   2.699  1.00  0.32           C  
HETATM  418  O   MVA A  25      -6.669   2.815   3.869  1.00  0.37           O  
HETATM  419  HN1 MVA A  25      -5.402   4.293   3.643  1.00  1.01           H  
HETATM  420  HN2 MVA A  25      -4.633   5.466   2.574  1.00  1.04           H  
HETATM  421  HN3 MVA A  25      -3.664   4.560   3.736  1.00  0.90           H  
HETATM  422  HA  MVA A  25      -5.319   1.944   1.036  1.00  0.28           H  
HETATM  423  HB  MVA A  25      -3.532   0.828   2.186  1.00  0.32           H  
HETATM  424 HG11 MVA A  25      -4.885   1.640   4.753  1.00  1.07           H  
HETATM  425 HG12 MVA A  25      -3.316   2.199   4.168  1.00  0.99           H  
HETATM  426 HG13 MVA A  25      -3.539   0.507   4.618  1.00  1.12           H  
HETATM  427 HG21 MVA A  25      -5.537  -0.448   1.697  1.00  0.95           H  
HETATM  428 HG22 MVA A  25      -6.227   0.009   3.253  1.00  1.10           H  
HETATM  429 HG23 MVA A  25      -4.792  -1.013   3.193  1.00  1.18           H  
ATOM    430  N   HIS A  26      -7.558   2.192   1.901  1.00  0.37           N  
ATOM    431  CA  HIS A  26      -8.942   2.318   2.333  1.00  0.48           C  
ATOM    432  C   HIS A  26      -9.675   1.004   2.096  1.00  0.52           C  
ATOM    433  O   HIS A  26      -9.907   0.616   0.953  1.00  0.50           O  
ATOM    434  CB  HIS A  26      -9.650   3.439   1.565  1.00  0.58           C  
ATOM    435  CG  HIS A  26      -9.061   4.802   1.775  1.00  0.64           C  
ATOM    436  ND1 HIS A  26      -9.514   5.680   2.735  1.00  0.74           N  
ATOM    437  CD2 HIS A  26      -8.053   5.442   1.134  1.00  0.69           C  
ATOM    438  CE1 HIS A  26      -8.814   6.795   2.675  1.00  0.81           C  
ATOM    439  NE2 HIS A  26      -7.921   6.677   1.713  1.00  0.77           N  
ATOM    440  H   HIS A  26      -7.376   1.880   0.988  1.00  0.37           H  
ATOM    441  HA  HIS A  26      -8.949   2.546   3.387  1.00  0.52           H  
ATOM    442  HB2 HIS A  26      -9.608   3.220   0.509  1.00  0.57           H  
ATOM    443  HB3 HIS A  26     -10.684   3.474   1.875  1.00  0.67           H  
ATOM    444  HD1 HIS A  26     -10.250   5.512   3.364  1.00  0.81           H  
ATOM    445  HD2 HIS A  26      -7.465   5.054   0.315  1.00  0.74           H  
ATOM    446  HE1 HIS A  26      -8.949   7.658   3.305  1.00  0.93           H  
ATOM    447  HE2 HIS A  26      -7.176   7.301   1.558  1.00  0.91           H  
ATOM    448  N   CYS A  27     -10.019   0.315   3.168  1.00  0.63           N  
ATOM    449  CA  CYS A  27     -10.734  -0.949   3.063  1.00  0.72           C  
ATOM    450  C   CYS A  27     -12.237  -0.722   3.156  1.00  1.07           C  
ATOM    451  O   CYS A  27     -12.856  -0.935   4.203  1.00  1.52           O  
ATOM    452  CB  CYS A  27     -10.277  -1.914   4.157  1.00  0.83           C  
ATOM    453  SG  CYS A  27      -8.519  -2.386   4.048  1.00  1.10           S  
ATOM    454  H   CYS A  27      -9.786   0.660   4.055  1.00  0.68           H  
ATOM    455  HA  CYS A  27     -10.504  -1.379   2.099  1.00  0.61           H  
ATOM    456  HB2 CYS A  27     -10.434  -1.454   5.120  1.00  1.38           H  
ATOM    457  HB3 CYS A  27     -10.866  -2.816   4.095  1.00  1.21           H  
HETATM  458  N   NH2 A  28     -12.827  -0.293   2.056  1.00  1.31           N  
HETATM  459  HN1 NH2 A  28     -12.269  -0.145   1.258  1.00  1.48           H  
HETATM  460  HN2 NH2 A  28     -13.791  -0.138   2.080  1.00  1.54           H  
TER     461      NH2 A  28                                                      
ENDMDL                                                                          
CONECT   19   29                                                                
CONECT   29   19   30   39                                                      
CONECT   30   29   31   36   40                                                 
CONECT   31   30   32   41   42                                                 
CONECT   32   31   33   43   44                                                 
CONECT   33   32   34   45   46                                                 
CONECT   34   33   35   47   48                                                 
CONECT   35   34   49   50                                                      
CONECT   36   30   37   51   52                                                 
CONECT   37   36   38   53                                                      
CONECT   38   37                                                                
CONECT   39   29                                                                
CONECT   40   30                                                                
CONECT   41   31                                                                
CONECT   42   31                                                                
CONECT   43   32                                                                
CONECT   44   32                                                                
CONECT   45   33                                                                
CONECT   46   33                                                                
CONECT   47   34                                                                
CONECT   48   34                                                                
CONECT   49   35                                                                
CONECT   50   35                                                                
CONECT   51   36                                                                
CONECT   52   36                                                                
CONECT   53   37                                                                
CONECT   58  306                                                                
CONECT   65   85                                                                
CONECT   85   65   86   95                                                      
CONECT   86   85   87   92   96                                                 
CONECT   87   86   88   97   98                                                 
CONECT   88   87   89   99  100                                                 
CONECT   89   88   90   91                                                      
CONECT   90   89                                                                
CONECT   91   89                                                                
CONECT   92   86   93  101  102                                                 
CONECT   93   92   94  103                                                      
CONECT   94   93                                                                
CONECT   95   85                                                                
CONECT   96   86                                                                
CONECT   97   87                                                                
CONECT   98   87                                                                
CONECT   99   88                                                                
CONECT  100   88                                                                
CONECT  101   92                                                                
CONECT  102   92                                                                
CONECT  103   93                                                                
CONECT  124  144                                                                
CONECT  144  124  145  154                                                      
CONECT  145  144  146  151  155                                                 
CONECT  146  145  147  156  157                                                 
CONECT  147  146  148  158  159                                                 
CONECT  148  147  149  160  161                                                 
CONECT  149  148  150  162  163                                                 
CONECT  150  149  164  165                                                      
CONECT  151  145  152  166  167                                                 
CONECT  152  151  153  168                                                      
CONECT  153  152                                                                
CONECT  154  144                                                                
CONECT  155  145                                                                
CONECT  156  146                                                                
CONECT  157  146                                                                
CONECT  158  147                                                                
CONECT  159  147                                                                
CONECT  160  148                                                                
CONECT  161  148                                                                
CONECT  162  149                                                                
CONECT  163  149                                                                
CONECT  164  150                                                                
CONECT  165  150                                                                
CONECT  166  151                                                                
CONECT  167  151                                                                
CONECT  168  152                                                                
CONECT  194  213                                                                
CONECT  213  194  214  219                                                      
CONECT  214  213  215  217  218                                                 
CONECT  215  214  216  226                                                      
CONECT  216  215                                                                
CONECT  217  214  220  221  222                                                 
CONECT  218  214  223  224  225                                                 
CONECT  219  213                                                                
CONECT  220  217                                                                
CONECT  221  217                                                                
CONECT  222  217                                                                
CONECT  223  218                                                                
CONECT  224  218                                                                
CONECT  225  218                                                                
CONECT  226  215                                                                
CONECT  238  453                                                                
CONECT  245  258                                                                
CONECT  258  245  259  260                                                      
CONECT  259  258  266  267  268                                                 
CONECT  260  258  261  264  269                                                 
CONECT  261  260  262  263  270                                                 
CONECT  262  261  271  272  273                                                 
CONECT  263  261  274  275  276                                                 
CONECT  264  260  265  277                                                      
CONECT  265  264                                                                
CONECT  266  259                                                                
CONECT  267  259                                                                
CONECT  268  259                                                                
CONECT  269  260                                                                
CONECT  270  261                                                                
CONECT  271  262                                                                
CONECT  272  262                                                                
CONECT  273  262                                                                
CONECT  274  263                                                                
CONECT  275  263                                                                
CONECT  276  263                                                                
CONECT  277  264                                                                
CONECT  306   58                                                                
CONECT  313  323                                                                
CONECT  323  313  324  327                                                      
CONECT  324  323  325  328  330                                                 
CONECT  325  324  326  331  332                                                 
CONECT  326  325  327  333  334                                                 
CONECT  327  323  326  335  336                                                 
CONECT  328  324  329  337                                                      
CONECT  329  328                                                                
CONECT  330  324                                                                
CONECT  331  325                                                                
CONECT  332  325                                                                
CONECT  333  326                                                                
CONECT  334  326                                                                
CONECT  335  327                                                                
CONECT  336  327                                                                
CONECT  337  328                                                                
CONECT  398  411                                                                
CONECT  411  398  412  413                                                      
CONECT  412  411  419  420  421                                                 
CONECT  413  411  414  417  422                                                 
CONECT  414  413  415  416  423                                                 
CONECT  415  414  424  425  426                                                 
CONECT  416  414  427  428  429                                                 
CONECT  417  413  418  430                                                      
CONECT  418  417                                                                
CONECT  419  412                                                                
CONECT  420  412                                                                
CONECT  421  412                                                                
CONECT  422  413                                                                
CONECT  423  414                                                                
CONECT  424  415                                                                
CONECT  425  415                                                                
CONECT  426  415                                                                
CONECT  427  416                                                                
CONECT  428  416                                                                
CONECT  429  416                                                                
CONECT  430  417                                                                
CONECT  450  458                                                                
CONECT  453  238                                                                
CONECT  458  450  459  460                                                      
CONECT  459  458                                                                
CONECT  460  458                                                                
MASTER      214    0    8    1    2    0    0    6  230    1  153    3          
END