HEADER    ANTIBIOTIC                              27-AUG-10   2L2X              
TITLE     THIOSTREPTON, OXIDIZED AT CA-CB BOND OF RESIDUE 9                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: THIOSTREPTON;                                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 1-16;                                             
COMPND   5 SYNONYM: ALANINAMIDE, BRYAMYCIN, GARGON, THIACTIN;                   
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES AZUREUS;                           
SOURCE   3 ORGANISM_TAXID: 146537                                               
KEYWDS    NATURAL ANTIBIOTIC, THIOPEPTIDE, ANTIBIOTIC, ANTIMICROBIAL,           
KEYWDS   2 ANTIBACTERIAL, THIAZOLE, THIAZOLINE                                  
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    H.R.A.JONKER,S.BAUMANN,A.WOLF,S.SCHOOF,F.HILLER,K.W.SCHULTE,          
AUTHOR   2 K.N.KIRSCHNER,H.SCHWALBE,H.-D.ARNDT                                  
REVDAT   2   26-JUN-13 2L2X    1       JRNL   VERSN                             
REVDAT   1   02-FEB-11 2L2X    0                                                
JRNL        AUTH   H.R.JONKER,S.BAUMANN,A.WOLF,S.SCHOOF,F.HILLER,K.W.SCHULTE,   
JRNL        AUTH 2 K.N.KIRSCHNER,H.SCHWALBE,H.D.ARNDT                           
JRNL        TITL   NMR STRUCTURES OF THIOSTREPTON DERIVATIVES FOR               
JRNL        TITL 2 CHARACTERIZATION OF THE RIBOSOMAL BINDING SITE.              
JRNL        REF    ANGEW.CHEM.INT.ED.ENGL.       V.  50  3308 2011              
JRNL        REFN                   ISSN 1433-7851                               
JRNL        PMID   21365717                                                     
JRNL        DOI    10.1002/ANIE.201003582                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ARIA 1.2                                             
REMARK   3   AUTHORS     : LINGE, O'DONOGHUE AND NILGES                         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2L2X COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JAN-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB101889.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 10 MM THIOSTREPTON (BB9, 9),       
REMARK 210                                   CHLOROFORM-D/ETHANOL-D5 5:1        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;    
REMARK 210                                   2D 1H-13C TOCSY-HSQC; 2D 1H-13C    
REMARK 210                                   HMBC; 2D 1H-1H NOESY; 2D 1H-1H     
REMARK 210                                   ROESY; 2D 1H-1H TOCSY              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : TOPSPIN 1.3, SPARKY 3.113, CNS     
REMARK 210                                   1.1                                
REMARK 210   METHOD USED                   : SIMULATED ANNEALING, TORSION       
REMARK 210                                   ANGLE DYNAMICS                     
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST 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 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400 THIOSTREPTON IS A MEMBER OF A SULPHUR-RICH HETEROCYCLIC PEPTIDES     
REMARK 400  CLASS. ALL SHARE A MACROCYCLIC CORE, CONSISTING OF A                
REMARK 400  NITROGEN CONTAINING, SIX-MEMBERED RING CENTRAL TO DEHYDROAMINO      
REMARK 400  ACIDS AND A SUBSET OF FIVE MEMBER RING STRUCTURES INCLUDING         
REMARK 400  THIAZOLES, THIAZOLINES AND OXAZOLES.                                
REMARK 400  HERE, THIOSTREPTON IS REPRESENTED BY THE SEQUENCE (SEQRES)          
REMARK 400                                                                      
REMARK 400 THE THIOPEPTIDE THIOSTREPTON OXIDIZED AT CA-CB BOND OF RESIDUE 9 IS  
REMARK 400 THIOPEPTIDE, A MEMBER OF ANTIBIOTIC CLASS.                           
REMARK 400                                                                      
REMARK 400  GROUP: 1                                                            
REMARK 400   NAME: THIOPEPTIDE THIOSTREPTON OXIDIZED AT CA-CB BOND OF RESIDUE 9 
REMARK 400   CHAIN: A                                                           
REMARK 400   COMPONENT_1: PEPTIDE LIKE POLYMER                                  
REMARK 400   DESCRIPTION: THIOSTREPTON IS A HETEROCYCLIC THIOPEPTIDE,           
REMARK 400                CONSISTING OF FOUR THIAZOLES ONE THIOZOLINE ONE       
REMARK 400                PIPERIDEINE RINGS. A MODIFIED QUINOLINE LINKED TO     
REMARK 400                MAIN-CHAIN RESIDUE 1 AND SIDE-CHAIN OF RESIDUE 12.    
REMARK 400                IN THIS ENTRY RESIDUE 9 WAS CHEMICALLY MODIFIED: THE  
REMARK 400                CA-CB BOND WAS OXIDIZED FROM SINGLE TO DOUBLE.        
REMARK 400                RESIDUE 17 (HET DHA) WAS DELETED.                     
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 SER A   5       84.00     65.56                                   
REMARK 500  2 ALA A   2      112.35   -160.95                                   
REMARK 500  2 SER A   5       84.59     65.30                                   
REMARK 500  3 SER A   5       82.10     64.16                                   
REMARK 500  4 SER A   5       84.98     66.59                                   
REMARK 500  5 SER A   5       83.36     65.88                                   
REMARK 500  5 TS9 A  10      -61.44    -93.41                                   
REMARK 500  6 SER A   5       84.77     65.92                                   
REMARK 500  7 SER A   5       85.78     66.35                                   
REMARK 500  7 TS9 A  10      -61.82    -91.01                                   
REMARK 500  8 SER A   5       84.92     66.28                                   
REMARK 500  9 ALA A   2      110.76   -162.39                                   
REMARK 500  9 SER A   5       84.32     65.85                                   
REMARK 500 10 SER A   5       83.64     64.84                                   
REMARK 500 11 SER A   5       84.06     64.57                                   
REMARK 500 12 SER A   5       83.90     65.28                                   
REMARK 500 13 SER A   5       83.21     66.13                                   
REMARK 500 14 SER A   5       83.88     65.89                                   
REMARK 500 15 SER A   5       84.32     65.01                                   
REMARK 500 15 TS9 A  10      -60.09    -92.18                                   
REMARK 500 16 SER A   5       86.20     66.43                                   
REMARK 500 17 SER A   5       83.66     65.82                                   
REMARK 500 18 SER A   5       84.08     64.62                                   
REMARK 500 19 SER A   5       83.86     64.60                                   
REMARK 500 20 ALA A   2      115.38   -160.30                                   
REMARK 500 20 SER A   5       84.79     66.10                                   
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 BB9 A   13     MH6 A   14         13       148.72                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1E9W   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2JQ7   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2L2W   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2L2Y   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2L2Z   RELATED DB: PDB                                   
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 A MODIFIED QUINOLINE LINKED TO THE MAIN-CHAIN OF RESIDUE 1 AND THE   
REMARK 999 SIDE-CHAIN OF RESIDUE 12. THE RESIDUE 9 IS BB9. THE CA-CB BOND OF    
REMARK 999 THE RESIDUE DCY 9 OF THE THIOSTREPTON HAS BEEN CHEMICALLY MODIFIED.  
REMARK 999 IT HAS BEEN OXIDIZED FROM SINGLE TO DOUBLE.                          
DBREF  2L2X A    1    16  UNP    P0C8P8   THCL_STRAJ       1     16             
SEQADV 2L2X QUA A    0  UNP  P0C8P8              SEE REMARK 999                 
SEQADV 2L2X NH2 A   17  UNP  P0C8P8              AMIDATION                      
SEQRES   1 A   18  QUA ILE ALA DHA ALA SER BB9 THR DBU BB9 TS9 BB9 THR          
SEQRES   2 A   18  BB9 MH6 BB9 DHA NH2                                          
MODRES 2L2X DHA A    3  SER  2-AMINO-ACRYLIC ACID                               
MODRES 2L2X BB9 A    6  CYS                                                     
MODRES 2L2X DBU A    8  THR  (2E)-2-AMINOBUT-2-ENOIC ACID                       
MODRES 2L2X BB9 A    9  CYS                                                     
MODRES 2L2X TS9 A   10  ILE                                                     
MODRES 2L2X BB9 A   11  CYS                                                     
MODRES 2L2X BB9 A   13  CYS                                                     
MODRES 2L2X MH6 A   14  SER  3-HYDROXY-2-IMINOPROPANOIC ACID                    
MODRES 2L2X BB9 A   15  CYS                                                     
MODRES 2L2X DHA A   16  SER  2-AMINO-ACRYLIC ACID                               
HET    QUA  A   0      27                                                       
HET    DHA  A   3       8                                                       
HET    BB9  A   6       7                                                       
HET    DBU  A   8      10                                                       
HET    BB9  A   9       7                                                       
HET    TS9  A  10      20                                                       
HET    BB9  A  11       7                                                       
HET    BB9  A  13       7                                                       
HET    MH6  A  14       6                                                       
HET    BB9  A  15       7                                                       
HET    DHA  A  16       8                                                       
HET    NH2  A  17       3                                                       
HETNAM     QUA 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID          
HETNAM     DHA 2-AMINO-ACRYLIC ACID                                             
HETNAM     BB9 (2Z)-2-AMINO-3-SULFANYLPROP-2-ENOIC ACID                         
HETNAM     DBU (2Z)-2-AMINOBUT-2-ENOIC ACID                                     
HETNAM     TS9 (2S,3S,4R)-2-AMINO-3,4-DIHYDROXY-3-METHYLPENTANOIC ACID          
HETNAM     MH6 3-HYDROXY-2-IMINOPROPANOIC ACID                                  
HETNAM     NH2 AMINO GROUP                                                      
HETSYN     DHA 2,3-DIDEHYDROALANINE                                             
HETSYN     DBU Z-DEHYDROBUTYRINE                                                
FORMUL   1  QUA    C12 H13 N O4                                                 
FORMUL   1  DHA    2(C3 H5 N O2)                                                
FORMUL   1  BB9    5(C3 H5 N O2 S)                                              
FORMUL   1  DBU    C4 H7 N O2                                                   
FORMUL   1  TS9    C6 H13 N O4                                                  
FORMUL   1  MH6    C3 H5 N O3                                                   
FORMUL   1  NH2    H2 N                                                         
LINK         C   ALA A   2                 N   DHA A   3     1555   1555  1.34  
LINK         C   DHA A   3                 N   ALA A   4     1555   1555  1.33  
LINK         C   SER A   5                 N   BB9 A   6     1555   1555  1.30  
LINK         C   BB9 A   6                 N   THR A   7     1555   1555  1.33  
LINK         C   THR A   7                 N   DBU A   8     1555   1555  1.33  
LINK         C   DBU A   8                 N   BB9 A   9     1555   1555  1.29  
LINK         C   TS9 A  10                 N   BB9 A  11     1555   1555  1.30  
LINK         C   BB9 A  11                 N   THR A  12     1555   1555  1.33  
LINK         C   THR A  12                 N   BB9 A  13     1555   1555  1.29  
LINK         C   MH6 A  14                 N   BB9 A  15     1555   1555  1.29  
LINK         C   BB9 A  15                 N   DHA A  16     1555   1555  1.33  
LINK         C11 QUA A   0                 OG1 THR A  12     1555   1555  1.33  
LINK         C7  QUA A   0                 N   ILE A   1     1555   1555  1.49  
LINK         CB  SER A   5                 CB  MH6 A  14     1555   1555  1.52  
LINK         CA  SER A   5                 C   BB9 A  13     1555   1555  1.57  
LINK         C   TS9 A  10                 SG  BB9 A  11     1555   1555  1.72  
LINK         C   THR A  12                 SG  BB9 A  13     1555   1555  1.72  
LINK         C   MH6 A  14                 SG  BB9 A  15     1555   1555  1.72  
LINK         C   SER A   5                 SG  BB9 A   6     1555   1555  1.73  
LINK         C   DBU A   8                 SG  BB9 A   9     1555   1555  1.72  
LINK         C   BB9 A   9                 N   TS9 A  10     1555   1555  1.33  
LINK         C   BB9 A  13                 N   MH6 A  14     1555   1555  1.47  
LINK         C   DHA A  16                 N   NH2 A  17     1555   1555  1.33  
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                                                                  
HETATM    1  O12 QUA A   0       1.321  -1.117  -0.331  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.170  -1.181   0.097  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.993  -1.612  -0.739  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.237  -1.616  -0.192  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.729  -1.994  -2.048  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.250  -2.021  -1.004  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.787  -2.406  -2.858  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.636  -2.016  -0.370  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.084  -2.420  -2.321  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.242  -0.728  -0.520  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.564  -3.091  -0.999  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.520  -2.830  -4.302  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.303  -2.251  -4.792  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.260  -2.843  -3.097  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.423  -4.346  -4.393  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.384  -3.148  -2.521  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.281  -1.972  -2.433  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.545  -2.224   0.686  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.126  -0.423  -1.424  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.587  -2.845  -0.764  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.332  -2.504  -4.931  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.437  -2.564  -4.265  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.191  -2.902  -4.171  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.333  -4.788  -4.014  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -0.585  -4.689  -3.804  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.283  -4.637  -5.422  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.219  -3.452  -3.135  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.270  -4.460  -0.478  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.653  -4.639   0.955  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.453  -5.061   1.797  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.437  -4.874   3.014  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.777  -5.684   1.110  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.439  -6.958   0.326  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.103  -5.100   0.645  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.377  -8.114   0.605  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.314  -4.648  -0.583  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.020  -3.690   1.324  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.869  -5.929   2.158  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.485  -6.745  -0.731  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.438  -7.275   0.580  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.275  -4.158   1.143  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.903  -5.785   0.884  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.071  -4.943  -0.423  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.410  -8.301   1.668  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.022  -8.997   0.095  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.368  -7.868   0.251  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.449  -5.631   1.137  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.227  -6.058   1.812  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.071  -6.169   0.823  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.058  -7.062  -0.025  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.449  -7.389   2.518  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.532  -5.770   0.170  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.981  -5.317   2.558  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -1.572  -7.642   3.094  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.634  -8.159   1.784  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.300  -7.309   3.177  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.104  -5.257   0.949  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.080  -5.111   0.079  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.348  -5.835  -0.998  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.978  -4.054   0.516  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.661  -3.430   1.527  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.192  -4.629   1.696  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.672  -6.614  -1.311  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.246  -5.644  -1.566  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.082  -3.796  -0.183  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.987  -2.710   0.179  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.185  -1.752  -0.992  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.464  -2.182  -2.111  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.327  -3.269   0.636  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.293  -4.349  -0.964  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.550  -2.167   1.004  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.167  -3.985   1.428  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.947  -2.463   0.999  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.817  -3.753  -0.196  1.00  1.00           H  
ATOM     75  N   SER A   5       4.036  -0.453  -0.722  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.200   0.589  -1.798  1.00  1.00           C  
ATOM     77  C   SER A   5       3.166   0.474  -2.819  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.635   0.541  -2.394  1.00  1.00           C  
ATOM     79  H   SER A   5       3.817  -0.179   0.192  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.767  -0.369  -2.958  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.786   1.392  -3.042  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.970   0.974  -2.779  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.253   0.687  -3.886  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.112   1.131  -4.085  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.790   0.881  -5.082  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.953  -0.093  -4.853  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.498  -0.407  -4.264  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.559  -0.426  -5.801  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.570   1.850  -3.062  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.929   2.387  -3.045  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.924   3.882  -2.735  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.911   4.432  -2.305  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.811   1.654  -2.013  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.110   2.254  -1.961  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.178   1.682  -0.628  1.00  1.00           C  
ATOM     96  H   THR A   7       0.022   2.026  -2.301  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.359   2.237  -4.024  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.914   0.623  -2.322  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.607   1.880  -1.228  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.186   2.694  -0.248  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.159   1.329  -0.691  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.739   1.043   0.038  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.060   4.532  -2.961  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.267   5.970  -2.757  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.987   6.901  -3.662  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.408   6.574  -5.045  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.826   6.350  -1.437  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.818   4.005  -3.290  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.175   7.935  -3.417  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.435   6.121  -4.930  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.317   7.482  -5.622  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.067   5.888  -5.557  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.133   5.494  -0.518  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.621   6.102   0.588  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.045   5.381   1.772  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.489   5.913   2.791  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.688   7.528   0.495  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.114   7.995  -1.018  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.047   8.194   1.265  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.909   4.063   1.650  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.284   3.151   2.727  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.083   2.914   3.645  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.836   1.802   2.145  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.841   1.207   1.331  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.213   0.861   3.245  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.085   2.149   1.262  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.126   2.531   2.171  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.588   1.024   0.367  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.551   3.695   0.816  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.069   3.628   3.295  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.885   1.580   0.446  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.738   0.012   2.832  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.852   1.370   3.952  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -5.322   0.517   3.748  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.851   2.994   0.634  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -7.821   3.256   2.722  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -7.644   0.108   0.934  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -6.908   0.895  -0.462  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -8.568   1.275  -0.008  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.938   2.438   3.273  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.073   2.343   4.309  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.719   1.842   4.180  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.080   1.749   5.112  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.608   2.780   5.561  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.194   3.287   5.320  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -2.081   2.784   6.504  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.413   1.483   2.934  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.901   0.942   2.595  1.00  1.00           C  
ATOM    149  C   THR A  12       1.483   1.668   1.385  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.836  -0.579   2.346  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.210  -0.889   1.340  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.451  -1.327   3.611  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.085   1.583   2.228  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.550   1.106   3.442  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.800  -0.933   2.008  1.00  1.00           H  
ATOM    156 HG21 THR A  12       1.174  -1.119   4.387  1.00  1.00           H  
ATOM    157 HG22 THR A  12       0.433  -2.388   3.411  1.00  1.00           H  
ATOM    158 HG23 THR A  12      -0.528  -1.005   3.937  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.594   1.359   0.800  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.859   2.177  -0.243  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.114   1.967  -1.042  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.868   3.185  -0.464  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.657   3.009   0.694  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.894   3.933  -1.242  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.177   2.753  -1.781  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.190   2.130  -0.050  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.302   1.499  -0.197  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.312   1.733   0.855  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.676   0.579  -1.281  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.781  -0.415  -0.877  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.620   0.887  -1.707  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.478   1.178   0.865  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.201   1.564   1.938  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.542   1.103   2.208  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.209   1.453   3.180  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.533   2.478   2.803  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.999   2.789   2.176  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.946   2.898   3.708  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.988   0.250   1.285  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.305  -0.406   1.278  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.243  -0.268   2.203  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.516  -1.261   0.124  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.605  -1.344  -0.699  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.379   0.045   0.545  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.076   0.366   3.055  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.175  -0.793   2.105  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.667  -1.910   0.000  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.811  -2.487  -0.779  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.355  -1.801   0.689  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  O12 QUA A   0       1.311  -1.150  -0.340  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.160  -1.207   0.093  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.012  -1.619  -0.743  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.254  -1.616  -0.190  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.759  -1.991  -2.057  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.275  -2.003  -1.000  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.826  -2.385  -2.865  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.658  -1.989  -0.359  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.121  -2.390  -2.322  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.249  -0.692  -0.488  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.603  -3.043  -0.998  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.571  -2.798  -4.314  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.352  -2.224  -4.805  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.306  -2.791  -3.097  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.486  -4.313  -4.419  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.432  -3.087  -2.521  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.249  -1.976  -2.446  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.565  -2.216   0.694  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.572  -0.575  -1.384  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.623  -2.788  -0.756  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.384  -2.460  -4.936  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.167  -2.902  -5.242  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.243  -2.840  -4.173  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -0.683  -4.674  -3.792  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.294  -4.593  -5.445  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.419  -4.750  -4.095  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.273  -3.375  -3.134  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.326  -4.423  -0.499  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.714  -4.620   0.928  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.511  -5.038   1.771  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.511  -4.884   2.992  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.827  -5.681   1.066  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.441  -6.967   0.325  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.147  -5.129   0.541  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.426  -8.101   0.513  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.371  -4.617  -0.604  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.094  -3.679   1.304  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.953  -5.903   2.116  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.374  -6.759  -0.733  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.478  -7.304   0.680  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.097  -5.042  -0.534  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.327  -4.157   0.973  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.950  -5.797   0.811  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -8.348  -7.867   0.000  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.625  -8.233   1.567  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.010  -9.012   0.109  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.486  -5.567   1.105  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.265  -5.997   1.780  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.109  -6.116   0.790  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.119  -6.989  -0.077  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.487  -7.324   2.489  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.554  -5.671   0.133  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.014  -5.254   2.524  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.297  -7.224   3.196  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -1.585  -7.608   3.012  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.735  -8.084   1.763  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.119  -5.231   0.937  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.071  -5.097   0.075  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.334  -5.815  -1.007  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.982  -4.057   0.524  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.671  -3.435   1.539  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.196  -4.615   1.695  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.648  -6.582  -1.330  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.238  -5.632  -1.568  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.092  -3.806  -0.173  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.012  -2.734   0.198  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.224  -1.773  -0.969  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.524  -2.199  -2.084  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.342  -3.316   0.652  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.296  -4.358  -0.955  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.582  -2.191   1.026  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.798  -3.853  -0.166  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.176  -3.991   1.478  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.997  -2.516   0.965  1.00  1.00           H  
ATOM     75  N   SER A   5       4.069  -0.473  -0.700  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.225   0.572  -1.775  1.00  1.00           C  
ATOM     77  C   SER A   5       3.192   0.448  -2.797  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.661   0.537  -2.375  1.00  1.00           C  
ATOM     79  H   SER A   5       3.851  -0.200   0.215  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.801  -0.375  -2.932  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.801   1.384  -3.029  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.997   0.947  -2.758  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.278   0.654  -3.864  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.087   1.097  -4.063  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.765   0.842  -5.061  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.978  -0.132  -4.827  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.525  -0.441  -4.237  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.584  -0.470  -5.774  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.546   1.821  -3.045  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.905   2.358  -3.032  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.904   3.851  -2.717  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.898   4.401  -2.268  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.794   1.618  -2.009  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.100   2.206  -1.976  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.181   1.656  -0.616  1.00  1.00           C  
ATOM     96  H   THR A   7       0.043   1.999  -2.282  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.331   2.212  -4.015  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.883   0.585  -2.316  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.720   1.586  -1.585  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.762   1.035   0.050  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.179   2.673  -0.249  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -1.167   1.287  -0.657  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.039   4.503  -2.955  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.244   5.941  -2.756  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.946   6.869  -3.659  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.345   6.537  -5.031  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.824   6.325  -1.446  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.795   3.975  -3.287  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.135   7.905  -3.418  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.403   6.024  -4.897  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.181   7.450  -5.583  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.026   5.903  -5.579  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.124   5.472  -0.522  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.636   6.082   0.572  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.058   5.366   1.758  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.522   5.899   2.767  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.728   7.506   0.464  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.147   7.967  -1.049  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.107   8.172   1.223  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.895   4.050   1.652  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.276   3.143   2.731  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.073   2.900   3.647  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.845   1.801   2.150  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.875   1.216   1.301  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.191   0.846   3.250  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.120   2.159   1.311  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.137   2.515   2.257  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.642   1.052   0.404  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.508   3.680   0.831  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.055   3.630   3.300  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.458   0.477   1.751  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.793   1.351   3.990  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -5.285   0.480   3.711  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.747   0.014   2.844  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.907   3.020   0.694  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -7.726   2.805   3.075  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -8.610   1.332   0.016  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -7.730   0.134   0.965  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -6.956   0.908  -0.417  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.933   2.413   3.272  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.065   2.319   4.308  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.715   1.807   4.179  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.084   1.716   5.112  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.592   2.768   5.559  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.176   3.285   5.319  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -2.062   2.774   6.499  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.412   1.440   2.935  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.905   0.901   2.598  1.00  1.00           C  
ATOM    149  C   THR A  12       1.489   1.634   1.394  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.840  -0.618   2.341  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.210  -0.923   1.339  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.462  -1.376   3.604  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.085   1.533   2.230  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.551   1.061   3.450  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.804  -0.969   1.997  1.00  1.00           H  
ATOM    156 HG21 THR A  12       0.434  -2.434   3.392  1.00  1.00           H  
ATOM    157 HG22 THR A  12      -0.511  -1.050   3.941  1.00  1.00           H  
ATOM    158 HG23 THR A  12       1.194  -1.182   4.373  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.604   1.330   0.812  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.869   2.152  -0.227  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.127   1.951  -1.025  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.875   3.158  -0.448  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.661   2.974   0.705  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.900   3.909  -1.224  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.182   2.734  -1.767  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.206   2.134  -0.037  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.324   1.517  -0.186  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.338   1.773   0.858  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.704   0.593  -1.265  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.822  -0.397  -0.855  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.643   0.911  -1.697  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.513   1.239   0.860  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.241   1.641   1.926  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.597   1.193   2.172  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.280   1.546   3.133  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.560   2.551   2.795  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       7.017   2.829   2.177  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.967   2.987   3.696  1.00  1.00           H  
HETATM  179  N   DHA A  16      11.029   0.346   1.234  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.352  -0.303   1.177  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.329  -0.145   2.062  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.498  -1.172   0.014  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.535  -1.253  -0.748  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.399   0.139   0.512  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.190   0.503   2.911  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.265  -0.664   1.936  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.632  -1.837  -0.193  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.709  -2.415  -0.980  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.372  -1.744   0.438  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  O12 QUA A   0       1.308  -1.112  -0.294  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.155  -1.175   0.129  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.006  -1.595  -0.718  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.250  -1.637  -0.171  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.737  -1.928  -2.039  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.258  -2.030  -0.996  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.789  -2.328  -2.863  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.645  -2.068  -0.363  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.086  -2.379  -2.327  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.269  -0.784  -0.458  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.560  -3.129  -1.037  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.514  -2.698  -4.319  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.315  -2.071  -4.792  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.256  -2.791  -3.120  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.377  -4.208  -4.455  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.377  -3.130  -2.560  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.272  -1.879  -2.422  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.551  -2.322   0.683  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -4.638  -0.145  -0.801  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.587  -2.904  -0.797  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.337  -2.376  -4.937  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.324  -2.744  -5.036  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.184  -2.811  -4.196  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.289  -4.684  -4.126  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -0.552  -4.551  -3.848  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.193  -4.461  -5.489  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.207  -3.422  -3.186  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.254  -4.515  -0.570  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.649  -4.755   0.849  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.438  -5.121   1.703  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.391  -4.818   2.895  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.704  -5.875   0.958  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.280  -7.099   0.137  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.063  -5.362   0.499  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.148  -8.319   0.367  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.295  -4.686  -0.671  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.082  -3.842   1.235  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.788  -6.159   1.997  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.330  -6.854  -0.912  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.264  -7.363   0.392  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.302  -4.454   1.033  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.817  -6.107   0.701  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.031  -5.158  -0.561  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -8.138  -8.136  -0.023  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.212  -8.519   1.427  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -6.714  -9.170  -0.135  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.462  -5.775   1.079  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.236  -6.164   1.767  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.072  -6.261   0.785  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.020  -7.177  -0.035  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.431  -7.488   2.490  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.569  -6.002   0.132  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.009  -5.407   2.503  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.263  -7.405   3.172  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -1.535  -7.733   3.041  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.634  -8.266   1.767  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.142  -5.309   0.889  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.031  -5.133   0.014  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.293  -5.827  -1.083  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.926  -4.081   0.469  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.616  -3.485   1.500  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.251  -4.673   1.627  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.617  -6.601  -1.409  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.183  -5.616  -1.656  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.020  -3.797  -0.235  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.929  -2.724   0.154  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.161  -1.759  -1.004  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.441  -2.183  -2.126  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.253  -3.302   0.635  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.220  -4.322  -1.037  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.481  -2.183   0.975  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.072  -3.976   1.459  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.899  -2.500   0.959  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.724  -3.840  -0.174  1.00  1.00           H  
ATOM     75  N   SER A   5       4.039  -0.460  -0.722  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.213   0.591  -1.786  1.00  1.00           C  
ATOM     77  C   SER A   5       3.185   0.484  -2.817  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.653   0.545  -2.374  1.00  1.00           C  
ATOM     79  H   SER A   5       3.836  -0.191   0.198  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.786  -0.361  -2.944  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.810   1.401  -3.013  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.979   0.955  -2.765  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.272   0.689  -3.883  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.102   1.109  -4.071  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.774   0.866  -5.074  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.991  -0.044  -4.872  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.542  -0.343  -4.289  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.607  -0.355  -5.832  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.573   1.803  -3.036  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.946   2.305  -3.008  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.980   3.806  -2.737  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.984   4.393  -2.311  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.795   1.573  -1.946  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.109   2.140  -1.892  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.146   1.655  -0.570  1.00  1.00           C  
ATOM     96  H   THR A   7       0.019   1.987  -2.276  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.387   2.119  -3.977  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.873   0.534  -2.227  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.374   2.418  -2.772  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.129   1.300  -0.631  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.700   1.040   0.125  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.152   2.679  -0.227  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.131   4.422  -2.988  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.369   5.862  -2.843  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.130   6.757  -3.796  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.569   6.381  -5.175  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.911   6.286  -1.531  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.877   3.865  -3.294  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.337   7.797  -3.594  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.475   7.271  -5.779  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -3.239   5.686  -5.659  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.599   5.921  -5.056  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.185   5.463  -0.572  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.665   6.107   0.517  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.054   5.431   1.738  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.487   6.000   2.741  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.759   7.528   0.366  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.221   7.941  -1.176  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.116   8.219   1.115  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.898   4.112   1.674  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.213   3.249   2.809  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -3.976   3.092   3.693  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.753   1.858   2.324  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.792   1.257   1.473  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.025   0.958   3.488  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.066   2.123   1.511  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.055   2.526   2.467  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.593   0.937   0.712  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.565   3.708   0.844  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -5.989   3.739   3.379  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -3.953   1.715   1.565  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.555   0.079   3.151  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.628   1.482   4.215  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -5.092   0.659   3.942  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.899   2.939   0.824  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.674   3.133   2.052  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -6.961   0.776  -0.148  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.601   1.144   0.384  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -7.591   0.053   1.332  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.860   2.546   3.326  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -1.949   2.552   4.326  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.613   2.005   4.192  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.227   1.997   5.092  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.411   3.147   5.541  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -3.997   3.663   5.314  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.838   3.249   6.451  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.377   1.506   2.980  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.921   0.935   2.626  1.00  1.00           C  
ATOM    149  C   THR A  12       1.499   1.655   1.410  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.822  -0.585   2.380  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.226  -0.881   1.371  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.420  -1.322   3.648  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.091   1.521   2.309  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.584   1.087   3.466  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.781  -0.960   2.048  1.00  1.00           H  
ATOM    156 HG21 THR A  12       1.177  -1.175   4.404  1.00  1.00           H  
ATOM    157 HG22 THR A  12       0.322  -2.376   3.437  1.00  1.00           H  
ATOM    158 HG23 THR A  12      -0.524  -0.936   4.004  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.612   1.351   0.827  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.868   2.163  -0.223  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.124   1.962  -1.022  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.870   3.161  -0.450  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.661   2.984   0.710  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.887   3.904  -1.233  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.184   2.752  -1.756  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.198   2.124  -0.027  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.309   1.492  -0.170  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.316   1.727   0.886  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.684   0.571  -1.252  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.776  -0.426  -0.850  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.634   0.872  -1.670  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.483   1.174   0.897  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.206   1.557   1.973  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.552   1.089   2.234  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.224   1.419   3.210  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.528   2.472   2.842  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.996   2.777   2.208  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.932   2.895   3.750  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.995   0.258   1.286  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.312  -0.404   1.245  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.223  -0.371   2.210  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.535  -1.129  -0.001  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.632  -1.100  -0.836  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.382   0.082   0.541  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.028   0.173   3.120  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.162  -0.886   2.091  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.677  -1.782  -0.206  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.809  -2.261  -1.051  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.370  -1.777   0.483  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  O12 QUA A   0       1.321  -1.134  -0.288  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.167  -1.204   0.135  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.990  -1.637  -0.708  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.238  -1.645  -0.170  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.715  -2.016  -2.015  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.245  -2.052  -0.990  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.766  -2.429  -2.834  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.636  -2.052  -0.367  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.067  -2.447  -2.307  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.246  -0.765  -0.515  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.557  -3.126  -1.009  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.484  -2.849  -4.276  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.265  -2.265  -4.753  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.236  -2.871  -3.093  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.383  -4.364  -4.369  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.365  -3.179  -2.530  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.296  -1.991  -2.392  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.554  -2.265   0.689  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.222  -0.504  -1.439  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.583  -2.888  -0.781  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.292  -2.525  -4.912  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.412  -1.876  -5.618  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.159  -2.927  -4.169  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -0.589  -4.712  -3.725  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.170  -4.649  -5.389  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.318  -4.808  -4.060  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.194  -3.483  -3.151  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.261  -4.499  -0.496  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.634  -4.685   0.937  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.406  -4.999   1.788  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.370  -4.695   2.980  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.668  -5.818   1.105  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.257  -7.044   0.280  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.051  -5.329   0.696  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.053  -8.291   0.602  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.305  -4.686  -0.606  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.077  -3.763   1.291  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.704  -6.090   2.149  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.395  -6.827  -0.767  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.214  -7.260   0.464  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.321  -4.473   1.298  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.772  -6.117   0.849  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.040  -5.047  -0.346  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -6.955  -8.520   1.652  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.677  -9.118   0.017  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.093  -8.127   0.364  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.405  -5.610   1.161  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.167  -5.964   1.848  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.018  -6.117   0.856  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.018  -7.034   0.038  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.350  -7.247   2.643  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.500  -5.828   0.211  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.929  -5.169   2.540  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -1.442  -7.467   3.184  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.572  -8.061   1.968  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.165  -7.126   3.341  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.043  -5.209   0.950  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.141  -5.103   0.078  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.403  -5.864  -0.975  1.00  1.00           C  
HETATM   60  C   DHA A   3       2.050  -4.043   0.482  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.739  -3.384   1.474  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.125  -4.555   1.675  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.719  -6.646  -1.264  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.304  -5.699  -1.549  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.157  -3.819  -0.223  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.080  -2.739   0.116  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.221  -1.760  -1.044  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.488  -2.163  -2.176  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.439  -3.308   0.498  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.358  -4.394  -0.990  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.684  -2.212   0.972  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.858  -3.836  -0.347  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.324  -3.990   1.327  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       6.100  -2.502   0.782  1.00  1.00           H  
ATOM     75  N   SER A   5       4.036  -0.469  -0.752  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.178   0.599  -1.806  1.00  1.00           C  
ATOM     77  C   SER A   5       3.138   0.493  -2.825  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.610   0.584  -2.412  1.00  1.00           C  
ATOM     79  H   SER A   5       3.807  -0.219   0.167  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.749  -0.309  -3.001  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.748   1.454  -3.036  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.942   0.992  -2.771  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.218   0.717  -3.878  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.148   1.163  -4.063  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.835   0.916  -5.055  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.913  -0.053  -4.857  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.462  -0.373  -4.281  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.513  -0.377  -5.806  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.594   1.885  -3.037  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.952   2.424  -3.007  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.948   3.904  -2.636  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.988   4.405  -2.051  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.844   1.649  -2.014  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.142   2.250  -1.951  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.225   1.622  -0.623  1.00  1.00           C  
ATOM     96  H   THR A   7       0.006   2.062  -2.283  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.375   2.315  -3.996  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.946   0.633  -2.366  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.789   1.589  -1.693  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.201   1.284  -0.691  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.785   0.945   0.005  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.250   2.613  -0.196  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.029   4.599  -2.981  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.217   6.036  -2.758  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.907   6.976  -3.643  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.307   6.658  -5.020  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.795   6.407  -1.443  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.753   4.106  -3.420  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.083   8.009  -3.387  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.360   6.155  -4.893  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.154   7.577  -5.567  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.983   6.021  -5.569  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.121   5.542  -0.538  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.621   6.142   0.567  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.067   5.413   1.738  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.524   5.936   2.754  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.677   7.570   0.488  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.077   8.048  -1.012  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.042   8.231   1.261  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.933   4.097   1.605  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.300   3.175   2.675  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.104   2.962   3.604  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.816   1.817   2.085  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.829   1.283   1.222  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.111   0.836   3.177  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.110   2.126   1.255  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.132   2.445   2.209  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.597   0.998   0.355  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.579   3.735   0.766  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.101   3.636   3.237  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -5.044   1.506   0.312  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.717   1.312   3.934  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -5.185   0.496   3.617  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.645  -0.009   2.770  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.936   2.993   0.636  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.926   1.945   2.008  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -6.923   0.891  -0.482  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.586   1.229  -0.007  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -7.624   0.074   0.914  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.962   2.465   3.248  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.099   2.398   4.288  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.749   1.881   4.176  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.050   1.818   5.111  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.630   2.883   5.525  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.213   3.395   5.264  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -2.103   2.915   6.467  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.448   1.470   2.945  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.873   0.935   2.616  1.00  1.00           C  
ATOM    149  C   THR A  12       1.449   1.653   1.397  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.822  -0.588   2.383  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.217  -0.918   1.377  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.440  -1.329   3.654  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.130   1.525   2.243  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.518   1.116   3.462  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.791  -0.936   2.052  1.00  1.00           H  
ATOM    156 HG21 THR A  12       1.161  -1.108   4.428  1.00  1.00           H  
ATOM    157 HG22 THR A  12       0.432  -2.391   3.463  1.00  1.00           H  
ATOM    158 HG23 THR A  12      -0.541  -1.012   3.975  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.568   1.354   0.823  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.823   2.158  -0.232  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.087   1.959  -1.022  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.815   3.144  -0.475  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.601   2.966   0.679  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.830   3.880  -1.266  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.161   2.761  -1.742  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.156   2.097  -0.018  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.274   1.481  -0.186  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.279   1.686   0.878  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.656   0.602  -1.301  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.780  -0.403  -0.931  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.593   0.939  -1.722  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.455   1.155   0.860  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.176   1.502   1.950  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.532   1.046   2.182  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.210   1.356   3.160  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.488   2.365   2.860  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.947   2.672   2.246  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.886   2.755   3.784  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.965   0.233   1.214  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.305  -0.377   1.115  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.329  -0.131   1.924  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.411  -1.317   0.003  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.407  -1.479  -0.690  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.322   0.018   0.507  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.218   0.569   2.736  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.273  -0.628   1.773  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.553  -1.958  -0.232  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.603  -2.584  -0.985  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.326  -1.800   0.343  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  O12 QUA A   0       1.323  -1.136  -0.291  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.169  -1.192   0.131  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.994  -1.602  -0.713  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.240  -1.612  -0.169  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.728  -1.961  -2.027  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.253  -1.998  -0.990  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.785  -2.353  -2.848  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.642  -2.001  -0.361  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.083  -2.371  -2.315  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.249  -0.712  -0.486  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.566  -3.065  -1.015  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.512  -2.752  -4.297  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.288  -2.174  -4.768  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.260  -2.773  -3.103  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.429  -4.266  -4.415  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.386  -3.087  -2.538  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.282  -1.936  -2.408  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.554  -2.233   0.691  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.105  -0.375  -1.374  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.591  -2.831  -0.774  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.318  -2.407  -4.926  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.160  -2.798  -5.345  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.189  -2.806  -4.179  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -0.638  -4.634  -3.777  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.219  -4.537  -5.439  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.369  -4.704  -4.112  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.222  -3.373  -3.159  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.263  -4.446  -0.531  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.635  -4.666   0.899  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.411  -5.018   1.739  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.349  -4.700   2.928  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.683  -5.787   1.042  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.311  -6.985   0.162  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.067  -5.263   0.684  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.110  -8.237   0.463  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.307  -4.626  -0.648  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.066  -3.747   1.277  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.702  -6.101   2.075  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.481  -6.729  -0.874  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.266  -7.217   0.302  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.084  -4.971  -0.356  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.298  -4.408   1.302  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.801  -6.037   0.853  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -6.760  -9.047  -0.159  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.155  -8.055   0.262  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -6.984  -8.503   1.503  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.440  -5.678   1.113  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.213  -6.072   1.797  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.056  -6.201   0.811  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.033  -7.116  -0.011  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.421  -7.381   2.545  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.553  -5.905   0.166  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.973  -5.305   2.519  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.631  -8.170   1.839  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.253  -7.277   3.227  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -1.528  -7.624   3.102  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.097  -5.276   0.913  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.082  -5.134   0.037  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.344  -5.860  -1.040  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.983  -4.078   0.469  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.671  -3.453   1.483  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.187  -4.635   1.648  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.665  -6.640  -1.349  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.241  -5.672  -1.611  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.082  -3.817  -0.237  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.999  -2.744   0.134  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.203  -1.775  -1.026  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.496  -2.191  -2.146  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.333  -3.324   0.581  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.281  -4.361  -1.028  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.570  -2.207   0.966  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.776  -3.877  -0.234  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.175  -3.983   1.421  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.994  -2.521   0.873  1.00  1.00           H  
ATOM     75  N   SER A   5       4.042  -0.478  -0.745  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.213   0.579  -1.804  1.00  1.00           C  
ATOM     77  C   SER A   5       3.188   0.474  -2.836  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.653   0.545  -2.389  1.00  1.00           C  
ATOM     79  H   SER A   5       3.808  -0.217   0.170  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.795  -0.360  -2.959  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.804   1.401  -3.031  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.987   0.959  -2.795  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.282   0.688  -3.914  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.087   1.119  -4.115  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.753   0.876  -5.121  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.998  -0.065  -4.890  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.541  -0.374  -4.297  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.614  -0.383  -5.848  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.560   1.821  -3.088  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.926   2.338  -3.076  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.949   3.834  -2.772  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.932   4.416  -2.393  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.802   1.591  -2.047  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.117   2.159  -2.013  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.185   1.642  -0.657  1.00  1.00           C  
ATOM     96  H   THR A   7       0.026   2.000  -2.321  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.350   2.180  -4.057  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.878   0.556  -2.351  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.630   1.827  -2.753  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.168   1.282  -0.701  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.758   1.018   0.013  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.192   2.659  -0.295  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.115   4.449  -2.940  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.344   5.889  -2.779  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.070   6.796  -3.710  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.473   6.432  -5.078  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.920   6.303  -1.477  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.880   3.891  -3.191  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.273   7.834  -3.500  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.531   5.923  -4.936  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.313   7.334  -5.650  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.157   5.786  -5.609  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.194   5.476  -0.523  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.710   6.111   0.555  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.107   5.426   1.769  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.584   5.981   2.759  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.835   7.527   0.400  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.276   7.951  -1.131  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.223   8.212   1.141  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.901   4.114   1.710  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.232   3.235   2.826  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.000   3.040   3.712  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.792   1.865   2.306  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.817   1.246   1.485  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.136   0.961   3.449  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.065   2.179   1.447  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.076   2.608   2.370  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.601   1.019   0.618  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.514   3.727   0.897  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.003   3.725   3.403  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.297   0.634   2.010  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -5.232   0.666   3.961  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.639   0.083   3.077  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.784   1.483   4.138  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.847   2.993   0.775  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.445   3.444   2.076  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -6.957   0.861  -0.235  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.599   1.251   0.277  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -7.626   0.123   1.220  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.882   2.508   3.333  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -1.978   2.473   4.339  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.639   1.933   4.198  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.190   1.887   5.106  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.449   3.021   5.573  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.033   3.547   5.355  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.884   3.086   6.491  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.385   1.483   2.970  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.918   0.924   2.617  1.00  1.00           C  
ATOM    149  C   THR A  12       1.487   1.638   1.393  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.831  -0.597   2.381  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.213  -0.901   1.372  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.425  -1.328   3.650  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.087   1.528   2.289  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.582   1.087   3.453  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.793  -0.969   2.053  1.00  1.00           H  
ATOM    156 HG21 THR A  12       0.378  -2.389   3.455  1.00  1.00           H  
ATOM    157 HG22 THR A  12      -0.545  -0.979   3.972  1.00  1.00           H  
ATOM    158 HG23 THR A  12       1.153  -1.137   4.425  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.607   1.342   0.818  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.855   2.143  -0.241  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.116   1.947  -1.032  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.842   3.122  -0.487  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.631   2.942   0.671  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.850   3.853  -1.282  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.182   2.742  -1.761  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.184   2.105  -0.030  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.300   1.483  -0.177  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.300   1.712   0.888  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.687   0.579  -1.269  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.799  -0.419  -0.877  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.631   0.902  -1.687  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.472   1.169   0.900  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.184   1.546   1.986  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.532   1.084   2.250  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.196   1.412   3.233  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.494   2.443   2.860  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.963   2.744   2.222  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.887   2.859   3.777  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.985   0.262   1.300  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.302  -0.402   1.266  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.235  -0.320   2.208  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.498  -1.189   0.054  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.576  -1.202  -0.761  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.377   0.089   0.550  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.060   0.272   3.092  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.170  -0.842   2.094  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.634  -1.856  -0.141  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.745  -2.380  -0.962  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.340  -1.819   0.532  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  O12 QUA A   0       1.293  -1.171  -0.284  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.134  -1.220   0.129  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.024  -1.634  -0.725  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.274  -1.650  -0.191  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.747  -1.987  -2.041  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.278  -2.038  -1.022  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.797  -2.381  -2.870  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.672  -2.050  -0.403  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.098  -2.407  -2.347  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.283  -0.762  -0.531  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.588  -3.115  -1.069  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.517  -2.775  -4.320  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.288  -2.201  -4.782  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.267  -2.809  -3.146  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.442  -4.291  -4.445  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.397  -3.129  -2.590  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.266  -1.958  -2.415  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.594  -2.284   0.648  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.015  -0.814  -1.151  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.615  -2.887  -0.836  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.317  -2.423  -4.951  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.382  -2.886  -4.845  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.188  -2.838  -4.221  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -0.679  -4.670  -3.782  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.197  -4.556  -5.463  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.396  -4.722  -4.180  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.226  -3.417  -3.220  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.283  -4.496  -0.590  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.672  -4.725   0.832  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.457  -5.080   1.685  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.444  -4.849   2.895  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.721  -5.849   0.951  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.290  -7.074   0.136  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.083  -5.345   0.491  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.140  -8.304   0.385  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.324  -4.670  -0.695  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.109  -3.811   1.212  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.802  -6.128   1.992  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.354  -6.838  -0.915  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.269  -7.323   0.383  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.350  -4.466   1.059  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.825  -6.114   0.648  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.038  -5.096  -0.558  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.146  -8.528   1.441  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.728  -9.140  -0.159  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.150  -8.118   0.050  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.438  -5.645   1.043  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.207  -6.024   1.730  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.048  -6.144   0.746  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.050  -7.021  -0.116  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.402  -7.334   2.479  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.514  -5.809   0.080  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.976  -5.254   2.452  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -1.491  -7.587   3.003  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.643  -8.118   1.777  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.207  -7.227   3.190  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.064  -5.254   0.892  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.138  -5.128   0.045  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.420  -5.864  -1.019  1.00  1.00           C  
HETATM   60  C   DHA A   3       2.035  -4.074   0.488  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.703  -3.434   1.486  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.152  -4.626   1.639  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.744  -6.641  -1.338  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.330  -5.685  -1.571  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.156  -3.837  -0.189  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.060  -2.749   0.173  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.233  -1.779  -0.991  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.523  -2.193  -2.114  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.408  -3.306   0.605  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.383  -4.409  -0.952  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.631  -2.218   1.009  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.275  -3.943   1.466  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       6.071  -2.491   0.859  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.837  -3.879  -0.204  1.00  1.00           H  
ATOM     75  N   SER A   5       4.051  -0.485  -0.714  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.191   0.570  -1.781  1.00  1.00           C  
ATOM     77  C   SER A   5       3.157   0.443  -2.802  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.625   0.555  -2.382  1.00  1.00           C  
ATOM     79  H   SER A   5       3.825  -0.223   0.202  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.774  -0.350  -2.951  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.755   1.411  -3.027  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.956   0.930  -2.760  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.241   0.636  -3.869  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.129   1.064  -4.066  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.805   0.803  -5.063  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.950  -0.136  -4.836  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.498  -0.432  -4.249  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.559  -0.472  -5.784  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.593   1.789  -3.050  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.948   2.331  -3.048  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.943   3.822  -2.720  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.937   4.362  -2.260  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.851   1.588  -2.041  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.153   2.186  -2.013  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.250   1.610  -0.644  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.005   1.966  -2.284  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.363   2.196  -4.036  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.945   0.559  -2.358  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.373   2.435  -1.112  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.276   2.617  -0.255  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.227   1.268  -0.688  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.818   0.959   0.004  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.074   4.480  -2.958  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.265   5.922  -2.779  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.968   6.833  -3.699  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.385   6.472  -5.073  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.827   6.335  -1.469  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.837   3.954  -3.279  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.143   7.874  -3.476  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.443   5.957  -4.941  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.223   7.373  -5.645  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.076   5.830  -5.600  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.125   5.504  -0.524  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.619   6.142   0.564  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.036   5.459   1.775  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.476   6.024   2.776  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.699   7.564   0.426  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.130   7.987  -1.102  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.062   8.251   1.176  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.898   4.137   1.700  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.216   3.271   2.833  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -3.977   3.108   3.715  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.757   1.882   2.340  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.797   1.285   1.489  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.031   0.974   3.500  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.071   2.152   1.528  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.051   2.584   2.481  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.617   0.963   0.748  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.577   3.735   0.865  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -5.991   3.761   3.405  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -5.092   1.349   0.578  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.528   0.082   3.152  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.663   1.483   4.214  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -5.100   0.702   3.975  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.895   2.954   0.829  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.876   2.774   2.030  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -7.673   0.099   1.395  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -6.966   0.749  -0.084  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -8.604   1.199   0.380  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.868   2.550   3.348  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -1.953   2.552   4.342  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.623   1.993   4.204  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.227   1.989   5.096  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.405   3.157   5.557  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -3.987   3.687   5.334  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.828   3.258   6.464  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.405   1.468   2.999  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.887   0.893   2.633  1.00  1.00           C  
ATOM    149  C   THR A  12       1.455   1.608   1.410  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.782  -0.627   2.387  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.257  -0.918   1.366  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.358  -1.358   3.652  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.131   1.469   2.340  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.560   1.043   3.465  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.741  -1.010   2.067  1.00  1.00           H  
ATOM    156 HG21 THR A  12       1.087  -1.183   4.429  1.00  1.00           H  
ATOM    157 HG22 THR A  12       0.293  -2.417   3.451  1.00  1.00           H  
ATOM    158 HG23 THR A  12      -0.606  -0.992   3.973  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.578   1.321   0.837  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.820   2.123  -0.224  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.084   1.938  -1.016  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.799   3.095  -0.470  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.589   2.906   0.687  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.803   3.826  -1.265  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.141   2.731  -1.748  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.152   2.108  -0.018  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.277   1.503  -0.175  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.281   1.738   0.883  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.670   0.608  -1.273  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.806  -0.389  -0.883  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.602   0.949  -1.700  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.460   1.215   0.877  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.176   1.594   1.958  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.529   1.161   2.213  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.184   1.494   3.199  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.485   2.469   2.846  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.943   2.753   2.230  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.889   2.877   3.760  1.00  1.00           H  
HETATM  179  N   DHA A  16      11.002   0.362   1.257  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.347  -0.232   1.211  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.296  -0.065   2.119  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.573  -1.055   0.037  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.649  -1.167  -0.769  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.392   0.153   0.518  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.119   0.546   2.984  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.249  -0.545   1.991  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.749  -1.647  -0.124  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.905  -2.203  -0.916  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.447  -1.519   0.553  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  O12 QUA A   0       1.323  -1.137  -0.276  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.171  -1.198   0.155  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.994  -1.615  -0.686  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.239  -1.630  -0.139  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.729  -1.974  -2.000  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.252  -2.022  -0.960  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.786  -2.371  -2.820  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.640  -2.032  -0.329  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.083  -2.394  -2.284  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.251  -0.743  -0.452  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.564  -3.096  -0.985  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.517  -2.770  -4.270  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.275  -2.227  -4.732  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.259  -2.799  -3.072  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.477  -4.287  -4.394  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.383  -3.117  -2.508  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.280  -1.944  -2.383  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.552  -2.266   0.722  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -4.755  -0.211  -1.080  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.590  -2.864  -0.746  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.310  -2.399  -4.900  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.305  -2.123  -5.687  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.186  -2.832  -4.149  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -0.709  -4.682  -3.745  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.259  -4.559  -5.416  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.435  -4.698  -4.109  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.218  -3.406  -3.130  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.261  -4.478  -0.504  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.649  -4.705   0.918  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.439  -5.100   1.760  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.417  -4.891   2.974  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.736  -5.796   1.037  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.309  -7.068   0.293  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.060  -5.273   0.496  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.261  -8.232   0.478  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.303  -4.655  -0.610  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.054  -3.781   1.305  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.869  -6.026   2.083  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.250  -6.855  -0.763  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.336  -7.377   0.647  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.846  -5.979   0.721  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -7.985  -5.147  -0.574  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.287  -4.323   0.956  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -6.817  -9.127   0.069  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.187  -8.024  -0.036  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.456  -8.374   1.531  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.434  -5.672   1.102  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.202  -6.074   1.774  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.050  -6.175   0.780  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.048  -7.050  -0.086  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.401  -7.399   2.493  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.524  -5.831   0.139  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.964  -5.322   2.511  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.197  -7.302   3.216  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -1.487  -7.675   2.999  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.658  -8.163   1.775  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.073  -5.274   0.920  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.117  -5.131   0.059  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.393  -5.859  -1.014  1.00  1.00           C  
HETATM   60  C   DHA A   3       2.015  -4.074   0.498  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.693  -3.447   1.508  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.160  -4.651   1.671  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.718  -6.639  -1.330  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.295  -5.672  -1.576  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.123  -3.819  -0.196  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.027  -2.730   0.167  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.216  -1.764  -0.999  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.511  -2.183  -2.117  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.370  -3.288   0.613  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.339  -4.375  -0.973  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.593  -2.194   0.998  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.219  -3.976   1.432  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       6.008  -2.478   0.936  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.835  -3.807  -0.212  1.00  1.00           H  
ATOM     75  N   SER A   5       4.042  -0.469  -0.725  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.197   0.585  -1.791  1.00  1.00           C  
ATOM     77  C   SER A   5       3.161   0.469  -2.813  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.631   0.552  -2.393  1.00  1.00           C  
ATOM     79  H   SER A   5       3.810  -0.205   0.190  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.767  -0.350  -2.969  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.775   1.412  -3.032  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.972   0.985  -2.779  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.251   0.691  -3.885  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.109   1.146  -4.093  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.787   0.882  -5.086  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.943  -0.111  -4.838  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.484  -0.436  -4.245  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.546  -0.454  -5.783  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.561   1.896  -3.091  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.917   2.439  -3.091  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.918   3.930  -2.762  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.910   4.479  -2.317  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.822   1.693  -2.089  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.119   2.301  -2.049  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.214   1.692  -0.691  1.00  1.00           C  
ATOM     96  H   THR A   7       0.030   2.088  -2.333  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.329   2.304  -4.080  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.925   0.668  -2.417  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.779   1.665  -2.335  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.200   2.700  -0.303  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.205   1.311  -0.738  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.806   1.065  -0.043  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.057   4.579  -2.986  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.271   6.014  -2.772  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.965   6.956  -3.658  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.346   6.644  -5.028  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.868   6.380  -1.465  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.811   4.051  -3.322  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.161   7.987  -3.408  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -3.001   5.985  -5.579  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.387   6.166  -4.890  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.213   7.563  -5.580  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.165   5.517  -0.548  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.698   6.114   0.544  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.122   5.387   1.725  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.611   5.914   2.726  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.812   7.537   0.440  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.221   8.015  -1.062  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.210   8.194   1.200  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.929   4.074   1.626  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.267   3.168   2.720  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.051   2.981   3.633  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.789   1.796   2.166  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.834   1.264   1.267  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.025   0.823   3.281  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.125   2.081   1.393  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.107   2.388   2.391  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.634   0.942   0.519  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.554   3.706   0.799  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.060   3.634   3.288  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.472   0.452   1.628  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -5.078   0.481   3.667  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.587  -0.021   2.910  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.581   1.308   4.070  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.992   2.947   0.764  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.982   2.369   1.995  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -7.635   0.023   1.085  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -6.992   0.834  -0.342  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -8.639   1.164   0.193  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.916   2.472   3.275  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.036   2.438   4.303  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.687   1.919   4.188  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.125   1.881   5.113  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.546   2.963   5.531  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.132   3.467   5.281  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -2.004   3.025   6.463  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.405   1.476   2.965  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.910   0.934   2.630  1.00  1.00           C  
ATOM    149  C   THR A  12       1.482   1.650   1.409  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.849  -0.589   2.396  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.203  -0.914   1.400  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.478  -1.327   3.671  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.097   1.513   2.271  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.562   1.109   3.473  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.812  -0.943   2.055  1.00  1.00           H  
ATOM    156 HG21 THR A  12       1.199  -1.098   4.442  1.00  1.00           H  
ATOM    157 HG22 THR A  12       0.476  -2.391   3.485  1.00  1.00           H  
ATOM    158 HG23 THR A  12      -0.505  -1.017   3.994  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.600   1.351   0.829  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.850   2.155  -0.227  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.110   1.953  -1.022  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.843   3.142  -0.465  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.633   2.964   0.694  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.855   3.877  -1.256  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.179   2.748  -1.751  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.183   2.103  -0.024  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.298   1.480  -0.183  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.308   1.696   0.872  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.675   0.582  -1.284  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.793  -0.418  -0.897  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.615   0.907  -1.708  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.480   1.158   0.855  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.204   1.517   1.936  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.553   1.064   2.179  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.219   1.377   3.165  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.529   2.393   2.836  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.987   2.701   2.230  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.942   2.787   3.752  1.00  1.00           H  
HETATM  179  N   DHA A  16      11.004   0.263   1.215  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.347  -0.334   1.145  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.346  -0.084   1.976  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.505  -1.266   0.044  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.536  -1.452  -0.692  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.378   0.049   0.491  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.217   0.608   2.787  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.292  -0.574   1.839  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.672  -1.875  -0.127  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.782  -2.504  -0.870  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.407  -1.684   0.493  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  O12 QUA A   0       1.332  -1.135  -0.297  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.174  -1.194   0.113  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.974  -1.640  -0.738  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.231  -1.633  -0.219  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.680  -2.048  -2.031  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.226  -2.055  -1.047  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.719  -2.477  -2.858  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.628  -2.039  -0.446  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.028  -2.480  -2.352  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.236  -0.756  -0.639  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.537  -3.131  -1.078  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.415  -2.934  -4.284  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.181  -2.374  -4.753  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.187  -2.916  -3.148  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.329  -4.452  -4.337  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.325  -3.211  -2.594  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.338  -2.035  -2.393  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.563  -2.226   0.615  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.061  -0.862  -1.119  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.567  -2.891  -0.868  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.208  -2.616  -4.943  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.554  -2.863  -4.376  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.094  -2.990  -4.220  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.273  -4.878  -4.031  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -0.549  -4.792  -3.673  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.104  -4.765  -5.347  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.147  -3.525  -3.221  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.244  -4.493  -0.536  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.610  -4.650   0.902  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.386  -4.998   1.744  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.299  -4.630   2.915  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.683  -5.742   1.092  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.314  -7.000   0.298  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.048  -5.217   0.667  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.148  -8.212   0.656  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.290  -4.687  -0.649  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.017  -3.709   1.249  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.732  -5.988   2.143  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.452  -6.806  -0.754  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.279  -7.246   0.481  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.276  -4.315   1.217  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.802  -5.963   0.871  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.036  -4.998  -0.392  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -8.174  -8.043   0.363  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.102  -8.378   1.723  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -6.765  -9.079   0.139  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.443  -5.711   1.133  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.206  -6.090   1.808  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.056  -6.199   0.812  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.051  -7.082  -0.045  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.388  -7.403   2.553  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.584  -5.991   0.205  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.970  -5.321   2.530  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -1.468  -7.662   3.056  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.646  -8.183   1.850  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.179  -7.298   3.281  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.084  -5.291   0.943  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.103  -5.145   0.079  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.386  -5.881  -0.987  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.986  -4.073   0.508  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.655  -3.438   1.510  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.173  -4.663   1.690  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.720  -6.671  -1.294  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.286  -5.687  -1.551  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.094  -3.812  -0.186  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.988  -2.714   0.173  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.176  -1.755  -0.999  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.464  -2.182  -2.118  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.333  -3.260   0.630  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.314  -4.371  -0.959  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.545  -2.175   0.998  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.957  -2.445   0.964  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.813  -3.768  -0.192  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.182  -3.954   1.445  1.00  1.00           H  
ATOM     75  N   SER A   5       4.010  -0.457  -0.731  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.171   0.592  -1.802  1.00  1.00           C  
ATOM     77  C   SER A   5       3.136   0.478  -2.824  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.607   0.551  -2.400  1.00  1.00           C  
ATOM     79  H   SER A   5       3.778  -0.187   0.182  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.739  -0.354  -2.972  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.756   1.408  -3.039  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.945   0.988  -2.786  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.224   0.699  -3.892  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.137   1.152  -4.094  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.815   0.904  -5.092  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.917  -0.094  -4.853  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.460  -0.417  -4.263  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.521  -0.430  -5.799  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.592   1.879  -3.074  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.947   2.425  -3.062  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.941   3.914  -2.723  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.926   4.455  -2.282  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.846   1.675  -2.058  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.142   2.282  -2.009  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.231   1.670  -0.665  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.001   2.052  -2.311  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.366   2.298  -4.049  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.951   0.651  -2.389  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.782   1.647  -1.678  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.216   2.676  -0.273  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.220   1.291  -0.719  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.817   1.038  -0.014  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.079   4.570  -2.930  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.277   6.010  -2.723  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.988   6.941  -3.626  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.405   6.615  -5.008  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.839   6.395  -1.406  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.844   4.045  -3.244  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.170   7.976  -3.379  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.462   6.103  -4.889  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.251   7.531  -5.560  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.093   5.982  -5.548  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.150   5.543  -0.484  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.641   6.157   0.618  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.068   5.445   1.805  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.516   5.985   2.817  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.703   7.583   0.518  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.124   8.041  -0.996  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.063   8.254   1.285  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.930   4.127   1.695  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.270   3.227   2.793  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.047   3.029   3.690  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.813   1.859   2.248  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.834   1.274   1.408  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.132   0.926   3.374  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.098   2.168   1.405  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.091   2.614   2.337  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.651   0.999   0.600  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.594   3.751   0.855  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.051   3.704   3.369  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -3.995   1.723   1.532  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.629   0.050   2.988  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.778   1.424   4.082  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -5.219   0.630   3.868  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.886   2.972   0.717  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.564   3.363   1.968  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -8.596   1.281   0.160  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -7.797   0.148   1.249  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -6.955   0.739  -0.182  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.919   2.513   3.314  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.025   2.468   4.329  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.682   1.939   4.191  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.143   1.893   5.104  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.515   2.989   5.568  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.102   3.506   5.341  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.961   3.042   6.493  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.419   1.499   2.961  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.887   0.946   2.609  1.00  1.00           C  
ATOM    149  C   THR A  12       1.459   1.665   1.389  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.809  -0.576   2.365  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.224  -0.885   1.346  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.402  -1.315   3.628  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.120   1.546   2.276  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.547   1.107   3.447  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.776  -0.940   2.043  1.00  1.00           H  
ATOM    156 HG21 THR A  12       0.360  -2.376   3.426  1.00  1.00           H  
ATOM    157 HG22 THR A  12      -0.570  -0.971   3.949  1.00  1.00           H  
ATOM    158 HG23 THR A  12       1.127  -1.125   4.405  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.574   1.363   0.808  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.827   2.171  -0.245  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.086   1.965  -1.041  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.823   3.163  -0.479  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.614   2.986   0.682  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.837   3.901  -1.267  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.152   2.755  -1.775  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.161   2.123  -0.046  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.274   1.492  -0.197  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.287   1.721   0.857  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.647   0.578  -1.286  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.751  -0.419  -0.890  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.591   0.889  -1.710  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.447   1.154   0.869  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.177   1.536   1.941  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.517   1.051   2.202  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.203   1.392   3.165  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.513   2.464   2.805  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.983   2.784   2.173  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.923   2.889   3.710  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.929   0.180   1.278  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.233  -0.509   1.239  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.231  -0.326   2.096  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.333  -1.451   0.130  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.355  -1.552  -0.609  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.297  -0.022   0.558  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.126   0.377   2.907  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.150  -0.878   1.987  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.444  -2.162  -0.053  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.491  -2.790  -0.804  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.198  -2.051   0.558  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  O12 QUA A   0       1.336  -1.181  -0.236  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.180  -1.223   0.180  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.984  -1.616  -0.673  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.234  -1.607  -0.139  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.714  -1.974  -1.988  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.246  -1.975  -0.970  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.771  -2.347  -2.817  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.639  -1.961  -0.353  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.073  -2.348  -2.294  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.233  -0.666  -0.491  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.565  -3.019  -1.011  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.497  -2.745  -4.267  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.248  -2.208  -4.721  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.249  -2.729  -3.092  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.468  -4.261  -4.395  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.382  -3.034  -2.534  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.300  -1.963  -2.361  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.565  -2.188   0.701  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -4.588  -0.056  -0.857  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.591  -2.784  -0.772  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.283  -2.366  -4.901  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.439  -2.873  -4.630  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.174  -2.755  -4.168  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -0.712  -4.663  -3.736  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.238  -4.533  -5.415  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.432  -4.663  -4.123  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.219  -3.306  -3.159  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.267  -4.402  -0.532  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.661  -4.632   0.889  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.470  -5.097   1.722  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.482  -5.002   2.949  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.795  -5.671   0.994  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.487  -6.891   0.117  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.122  -5.039   0.595  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.459  -8.037   0.299  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.309  -4.581  -0.636  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.021  -3.695   1.292  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.870  -5.986   2.025  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.517  -6.595  -0.921  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.497  -7.255   0.353  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.289  -4.151   1.186  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.924  -5.741   0.767  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.095  -4.774  -0.451  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.136  -8.880  -0.293  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.443  -7.730  -0.022  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.492  -8.319   1.341  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.441  -5.598   1.043  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.235  -6.073   1.712  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.075  -6.183   0.728  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.080  -7.045  -0.149  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.494  -7.418   2.377  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.495  -5.649   0.066  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.977  -5.360   2.482  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -1.599  -7.746   2.884  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.771  -8.143   1.626  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.296  -7.316   3.093  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.085  -5.300   0.892  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.115  -5.162   0.045  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.403  -5.894  -1.022  1.00  1.00           C  
HETATM   60  C   DHA A   3       2.004  -4.100   0.489  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.666  -3.465   1.488  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.171  -4.687   1.652  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.733  -6.674  -1.341  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.312  -5.706  -1.575  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.125  -3.850  -0.187  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.016  -2.749   0.173  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.194  -1.785  -0.997  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.481  -2.208  -2.118  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.365  -3.288   0.623  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.361  -4.422  -0.947  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.573  -2.215   1.001  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.228  -3.945   1.469  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       6.006  -2.466   0.905  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.822  -3.838  -0.188  1.00  1.00           H  
ATOM     75  N   SER A   5       4.020  -0.489  -0.727  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.179   0.563  -1.795  1.00  1.00           C  
ATOM     77  C   SER A   5       3.155   0.443  -2.830  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.621   0.540  -2.380  1.00  1.00           C  
ATOM     79  H   SER A   5       3.787  -0.223   0.187  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.771  -0.368  -2.944  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.762   1.393  -3.028  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.954   0.933  -2.800  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.251   0.646  -3.917  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.117   1.079  -4.131  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.783   0.820  -5.135  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.968  -0.124  -4.879  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.509  -0.428  -4.276  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.587  -0.456  -5.834  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.589   1.807  -3.119  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.946   2.347  -3.128  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.949   3.838  -2.794  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.935   4.390  -2.369  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.856   1.598  -2.133  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.160   2.188  -2.116  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.266   1.617  -0.728  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.010   1.983  -2.349  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.352   2.215  -4.121  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.941   0.569  -2.454  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.532   2.169  -3.002  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.309   2.620  -0.332  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.239   1.288  -0.766  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.834   0.955  -0.091  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.098   4.482  -2.987  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.301   5.921  -2.795  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.041   6.839  -3.720  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.490   6.489  -5.111  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.831   6.322  -1.469  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.864   3.946  -3.281  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.222   7.877  -3.488  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -3.195   5.853  -5.627  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.548   5.971  -5.006  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.340   7.396  -5.678  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.122   5.482  -0.531  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.586   6.108   0.576  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -4.989   5.409   1.782  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.411   5.961   2.799  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.649   7.534   0.462  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.104   7.974  -1.071  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -4.988   8.214   1.230  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.860   4.089   1.681  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.219   3.199   2.781  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.009   2.993   3.696  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.764   1.834   2.233  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.815   1.281   1.339  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.023   0.871   3.350  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.088   2.141   1.451  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.078   2.442   2.444  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.597   1.019   0.558  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.515   3.704   0.848  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.005   3.683   3.345  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.234   0.685   1.818  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.582   1.366   4.130  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -5.083   0.518   3.748  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.592   0.032   2.980  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.941   3.015   0.837  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.669   3.120   2.110  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -7.589   0.087   1.105  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -6.960   0.933  -0.309  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -8.606   1.241   0.243  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.880   2.479   3.333  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.002   2.425   4.359  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.660   1.894   4.231  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.160   1.843   5.150  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.505   2.941   5.594  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.087   3.462   5.350  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.962   2.987   6.526  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.394   1.454   3.003  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.912   0.905   2.650  1.00  1.00           C  
ATOM    149  C   THR A  12       1.459   1.608   1.411  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.838  -0.619   2.429  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.204  -0.938   1.422  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.440  -1.343   3.704  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.093   1.500   2.318  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.581   1.086   3.478  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.803  -0.986   2.103  1.00  1.00           H  
ATOM    156 HG21 THR A  12      -0.535  -1.004   4.021  1.00  1.00           H  
ATOM    157 HG22 THR A  12       1.163  -1.132   4.478  1.00  1.00           H  
ATOM    158 HG23 THR A  12       0.410  -2.406   3.520  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.584   1.330   0.837  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.806   2.115  -0.240  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.068   1.935  -1.033  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.766   3.062  -0.500  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.567   2.876   0.668  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.752   3.777  -1.309  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.120   2.725  -1.768  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.139   2.117  -0.037  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.262   1.507  -0.179  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.266   1.763   0.875  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.654   0.593  -1.261  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.773  -0.398  -0.856  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.596   0.917  -1.682  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.443   1.233   0.885  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.162   1.633   1.960  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.516   1.192   2.220  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.186   1.547   3.188  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.468   2.537   2.826  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.929   2.811   2.195  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.864   2.970   3.733  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.962   0.340   1.292  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.296  -0.291   1.248  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.301  -0.032   2.078  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.420  -1.267   0.171  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.434  -1.441  -0.545  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.333   0.107   0.577  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.178   0.694   2.865  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.241  -0.545   1.970  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.560  -1.932  -0.010  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.623  -2.584  -0.739  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.319  -1.764   0.581  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  O12 QUA A   0       1.343  -1.182  -0.298  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.182  -1.216   0.109  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.976  -1.616  -0.751  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.231  -1.590  -0.227  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.696  -1.999  -2.056  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.237  -1.967  -1.061  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.749  -2.380  -2.888  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.636  -1.931  -0.458  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.054  -2.364  -2.378  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.215  -0.634  -0.625  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.566  -2.992  -1.110  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.466  -2.806  -4.328  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.223  -2.264  -4.792  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.227  -2.749  -3.180  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.417  -4.325  -4.421  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.367  -3.035  -2.629  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.320  -2.001  -2.420  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.573  -2.142   0.600  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.126  -0.725  -0.917  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.591  -2.745  -0.884  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.255  -2.453  -4.973  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.389  -1.648  -5.509  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.140  -2.794  -4.254  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -0.612  -4.697  -3.806  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.251  -4.618  -5.448  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.353  -4.736  -4.076  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.199  -3.310  -3.259  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.282  -4.369  -0.607  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.702  -4.577   0.809  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.521  -5.008   1.675  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.535  -4.833   2.893  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.824  -5.633   0.913  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.469  -6.876   0.086  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.146  -5.037   0.452  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.432  -8.030   0.273  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.323  -4.553  -0.690  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.084  -3.638   1.185  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.927  -5.915   1.950  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.467  -6.614  -0.961  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.483  -7.218   0.367  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.339  -4.124   0.996  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.944  -5.741   0.638  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.096  -4.823  -0.605  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.048  -8.904  -0.232  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.393  -7.768  -0.145  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.542  -8.242   1.326  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.501  -5.572   1.031  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.293  -6.004   1.729  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.121  -6.135   0.759  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.129  -6.998  -0.117  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.539  -7.326   2.445  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.563  -5.701   0.062  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.051  -5.257   2.472  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.779  -8.089   1.720  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.361  -7.213   3.136  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -1.650  -7.612   2.988  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.118  -5.270   0.934  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.094  -5.149   0.098  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.393  -5.900  -0.951  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.980  -4.082   0.537  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.630  -3.432   1.522  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.201  -4.654   1.692  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.726  -6.685  -1.266  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.310  -5.724  -1.495  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.105  -3.839  -0.135  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.994  -2.735   0.224  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.184  -1.783  -0.954  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.458  -2.217  -2.073  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.338  -3.271   0.693  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.344  -4.416  -0.888  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.543  -2.193   1.042  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.186  -3.956   1.513  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.959  -2.449   1.020  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.823  -3.786  -0.122  1.00  1.00           H  
ATOM     75  N   SER A   5       4.037  -0.481  -0.690  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.189   0.556  -1.773  1.00  1.00           C  
ATOM     77  C   SER A   5       3.154   0.425  -2.792  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.622   0.517  -2.374  1.00  1.00           C  
ATOM     79  H   SER A   5       3.825  -0.203   0.225  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.761  -0.398  -2.928  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.762   1.361  -3.032  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.953   0.909  -2.748  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.236   0.612  -3.854  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.134   1.037  -4.051  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.809   0.778  -5.047  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.944  -0.161  -4.822  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.494  -0.454  -4.236  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.551  -0.501  -5.769  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.601   1.752  -3.029  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.963   2.278  -3.015  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.971   3.783  -2.762  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.946   4.369  -2.412  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.829   1.575  -1.948  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.135   2.164  -1.904  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.184   1.658  -0.571  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.012   1.932  -2.265  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.403   2.089  -3.983  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.926   0.533  -2.219  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.087   3.016  -1.465  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.169   2.685  -0.240  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.173   1.283  -0.624  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.752   1.063   0.129  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.134   4.401  -2.943  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.360   5.841  -2.792  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.133   6.736  -3.746  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.599   6.358  -5.135  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.875   6.267  -1.469  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.899   3.844  -3.197  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.329   7.776  -3.540  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -3.270   5.648  -5.597  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.620   5.914  -5.038  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.533   7.243  -5.749  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.155   5.443  -0.514  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.605   6.089   0.586  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -4.996   5.410   1.806  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.402   5.980   2.820  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.668   7.512   0.448  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.141   7.925  -1.096  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -4.999   8.204   1.208  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.876   4.088   1.725  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.244   3.218   2.837  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.026   2.977   3.732  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.852   1.869   2.313  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.878   1.190   1.541  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.287   1.002   3.454  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.072   2.232   1.396  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.001   2.938   2.228  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.783   1.049   0.749  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.531   3.689   0.898  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.000   3.735   3.410  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.363   1.826   1.041  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.980   1.548   4.075  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -5.426   0.715   4.040  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.770   0.116   3.070  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.741   2.893   0.609  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.560   2.309   2.689  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -8.511   1.412   0.040  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.282   0.469   1.512  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -7.062   0.429   0.240  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.900   2.469   3.345  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.013   2.382   4.365  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.671   1.852   4.220  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.145   1.772   5.138  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.509   2.860   5.617  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.091   3.394   5.399  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.961   2.877   6.548  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.400   1.449   2.980  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.906   0.897   2.625  1.00  1.00           C  
ATOM    149  C   THR A  12       1.479   1.628   1.413  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.824  -0.621   2.367  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.212  -0.914   1.345  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.413  -1.372   3.623  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.093   1.524   2.291  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.565   1.051   3.466  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.789  -0.986   2.041  1.00  1.00           H  
ATOM    156 HG21 THR A  12       1.138  -1.194   4.404  1.00  1.00           H  
ATOM    157 HG22 THR A  12       0.366  -2.431   3.410  1.00  1.00           H  
ATOM    158 HG23 THR A  12      -0.558  -1.028   3.948  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.588   1.324   0.821  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.842   2.144  -0.222  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.093   1.942  -1.032  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.847   3.148  -0.435  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.643   2.967   0.730  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.863   3.899  -1.212  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.135   2.719  -1.781  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.178   2.138  -0.054  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.295   1.516  -0.199  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.314   1.787   0.836  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.666   0.576  -1.266  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.774  -0.410  -0.844  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.608   0.878  -1.701  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.484   1.239   0.848  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.216   1.660   1.902  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.564   1.212   2.170  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.239   1.595   3.124  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.551   2.595   2.748  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       7.010   2.878   2.130  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.972   3.044   3.636  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.999   0.331   1.271  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.317  -0.323   1.270  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.290  -0.106   2.141  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.484  -1.276   0.188  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.540  -1.431  -0.588  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.381   0.099   0.548  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.157   0.602   2.938  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.218  -0.638   2.052  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.627  -1.940   0.078  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.741  -2.586  -0.650  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.341  -1.776   0.729  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       11                                                                  
HETATM    1  O12 QUA A   0       1.306  -1.141  -0.293  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.152  -1.205   0.130  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.007  -1.638  -0.710  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.253  -1.656  -0.168  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.736  -2.006  -2.021  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.261  -2.062  -0.987  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.788  -2.418  -2.839  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.651  -2.075  -0.358  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.087  -2.447  -2.308  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.266  -0.790  -0.489  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.569  -3.149  -1.007  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.509  -2.825  -4.286  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.290  -2.239  -4.759  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.256  -2.869  -3.094  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.409  -4.341  -4.389  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.382  -3.188  -2.529  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.274  -1.974  -2.402  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.562  -2.301   0.695  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.221  -0.892  -0.515  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.596  -2.914  -0.775  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.318  -2.495  -4.918  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.256  -2.916  -5.164  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.182  -2.916  -4.169  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.345  -4.786  -4.084  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -0.616  -4.693  -3.747  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.194  -4.618  -5.412  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.212  -3.490  -3.150  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.270  -4.526  -0.505  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.612  -4.716   0.935  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.371  -5.062   1.753  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.274  -4.716   2.931  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.671  -5.823   1.125  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.261  -7.100   0.379  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.029  -5.335   0.643  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.090  -8.313   0.750  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.318  -4.719  -0.640  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.025  -3.785   1.304  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.748  -6.040   2.180  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.371  -6.939  -0.682  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.228  -7.326   0.600  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -7.998  -5.178  -0.425  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.273  -4.406   1.137  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.782  -6.075   0.876  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.067  -8.450   1.822  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.680  -9.189   0.268  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.109  -8.168   0.427  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.425  -5.750   1.118  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.186  -6.149   1.777  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.038  -6.224   0.776  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.038  -7.077  -0.111  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.368  -7.487   2.478  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.565  -5.998   0.180  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.951  -5.405   2.524  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.204  -7.426   3.159  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -1.472  -7.729   3.030  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.557  -8.256   1.743  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.065  -5.322   0.934  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.121  -5.155   0.074  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.411  -5.873  -1.002  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.995  -4.079   0.514  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.659  -3.457   1.522  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.153  -4.716   1.699  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.753  -6.665  -1.318  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.308  -5.663  -1.565  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.100  -3.805  -0.177  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.981  -2.698   0.182  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.167  -1.745  -0.995  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.431  -2.180  -2.116  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.327  -3.227   0.651  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.329  -4.362  -0.949  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.527  -2.158   1.000  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.947  -2.401   0.970  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.812  -3.748  -0.161  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.179  -3.906   1.477  1.00  1.00           H  
ATOM     75  N   SER A   5       4.023  -0.445  -0.728  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.175   0.596  -1.807  1.00  1.00           C  
ATOM     77  C   SER A   5       3.143   0.469  -2.830  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.612   0.562  -2.401  1.00  1.00           C  
ATOM     79  H   SER A   5       3.819  -0.169   0.189  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.750  -0.346  -2.969  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.756   1.416  -3.047  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.944   0.959  -2.789  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.229   0.664  -3.896  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.138   1.099  -4.093  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.821   0.830  -5.083  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.934  -0.113  -4.861  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.482  -0.413  -4.273  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.542  -0.451  -5.809  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.588   1.841  -3.085  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.929   2.415  -3.089  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.890   3.896  -2.724  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.871   4.401  -2.249  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.866   1.671  -2.116  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.145   2.315  -2.074  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.274   1.619  -0.715  1.00  1.00           C  
ATOM     96  H   THR A   7       0.000   2.010  -2.319  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.331   2.317  -4.087  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.996   0.658  -2.472  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.097   3.084  -1.502  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.259   1.254  -0.764  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.864   0.955  -0.099  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.279   2.609  -0.283  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.001   4.588  -2.945  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.157   6.026  -2.717  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.829   6.962  -3.601  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.242   6.635  -4.981  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.719   6.403  -1.399  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.775   4.092  -3.287  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -2.980   7.998  -3.340  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.317   6.090  -4.861  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.051   7.552  -5.517  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.945   6.034  -5.538  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.064   5.543  -0.497  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.545   6.148   0.612  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.004   5.425   1.781  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.443   5.957   2.801  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.564   7.578   0.541  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -3.958   8.048  -0.958  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -4.909   8.242   1.319  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.904   4.105   1.645  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.268   3.197   2.729  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.063   2.990   3.647  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.801   1.832   2.165  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.814   1.257   1.328  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.124   0.887   3.281  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.080   2.139   1.313  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.105   2.509   2.245  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.579   0.990   0.445  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.577   3.734   0.799  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.059   3.670   3.294  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -3.954   1.336   1.746  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.648   0.030   2.889  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.745   1.387   4.010  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -5.209   0.560   3.754  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.882   2.981   0.667  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.398   3.405   2.061  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -6.933   0.881  -0.413  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.584   1.200   0.113  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -7.574   0.074   1.017  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.927   2.488   3.282  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.052   2.429   4.311  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.704   1.912   4.183  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.109   1.858   5.106  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.567   2.923   5.549  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.153   3.435   5.305  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -2.030   2.962   6.486  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.427   1.486   2.952  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.882   0.940   2.607  1.00  1.00           C  
ATOM    149  C   THR A  12       1.450   1.656   1.383  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.812  -0.584   2.375  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.232  -0.906   1.369  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.423  -1.316   3.648  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.120   1.539   2.261  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.541   1.111   3.446  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.777  -0.944   2.044  1.00  1.00           H  
ATOM    156 HG21 THR A  12      -0.557  -0.991   3.965  1.00  1.00           H  
ATOM    157 HG22 THR A  12       1.143  -1.099   4.423  1.00  1.00           H  
ATOM    158 HG23 THR A  12       0.406  -2.379   3.461  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.570   1.362   0.804  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.815   2.166  -0.255  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.077   1.971  -1.051  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.799   3.146  -0.495  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.592   2.962   0.665  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.805   3.879  -1.288  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.137   2.760  -1.788  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.150   2.139  -0.054  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.267   1.518  -0.201  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.272   1.753   0.857  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.649   0.603  -1.287  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.762  -0.392  -0.887  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.593   0.921  -1.711  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.440   1.201   0.870  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.158   1.587   1.948  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.500   1.128   2.223  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.161   1.476   3.200  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.483   2.498   2.813  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.951   2.805   2.179  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.890   2.917   3.719  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.948   0.276   1.302  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.266  -0.378   1.296  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.213  -0.219   2.207  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.462  -1.259   0.159  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.540  -1.362  -0.650  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.340   0.070   0.561  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.055   0.436   3.045  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.144  -0.745   2.112  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.609  -1.913   0.035  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.744  -2.509  -0.731  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.307  -1.791   0.713  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       12                                                                  
HETATM    1  O12 QUA A   0       1.329  -1.177  -0.299  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.169  -1.216   0.110  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.990  -1.617  -0.747  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.242  -1.598  -0.218  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.714  -1.997  -2.054  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.250  -1.976  -1.047  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.771  -2.383  -2.882  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.646  -1.948  -0.436  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.073  -2.371  -2.364  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.234  -0.654  -0.606  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.570  -3.018  -1.079  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.494  -2.807  -4.322  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.253  -2.262  -4.790  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.249  -2.762  -3.160  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.440  -4.326  -4.417  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.384  -3.055  -2.601  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.300  -1.995  -2.423  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.575  -2.154   0.621  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -4.681   0.007  -0.180  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.596  -2.782  -0.843  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.286  -2.455  -4.963  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.180  -2.896  -5.366  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.171  -2.803  -4.235  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.404  -4.738  -4.158  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -0.693  -4.703  -3.735  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.183  -4.615  -5.425  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.220  -3.334  -3.225  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.267  -4.394  -0.581  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.644  -4.603   0.848  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.427  -4.971   1.694  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.353  -4.629   2.874  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.711  -5.710   0.991  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.375  -6.896   0.078  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.090  -5.152   0.666  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.226  -8.123   0.332  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.310  -4.575  -0.692  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.062  -3.678   1.223  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.718  -6.043   2.018  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.521  -6.601  -0.950  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.341  -7.171   0.224  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.132  -4.881  -0.378  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.275  -4.278   1.272  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.841  -5.900   0.875  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.152  -8.403   1.373  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.875  -8.937  -0.285  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.256  -7.905   0.090  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.476  -5.670   1.079  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.241  -6.053   1.760  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.086  -6.167   0.770  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.100  -7.027  -0.109  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.433  -7.364   2.507  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.607  -5.936   0.145  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.007  -5.284   2.482  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.633  -8.155   1.800  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.264  -7.271   3.190  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -1.535  -7.595   3.061  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.091  -5.291   0.932  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.106  -5.156   0.079  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.391  -5.892  -0.985  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.998  -4.095   0.519  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.665  -3.461   1.521  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.170  -4.679   1.693  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.719  -6.675  -1.301  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.297  -5.708  -1.541  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.112  -3.843  -0.166  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.007  -2.746   0.196  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.202  -1.787  -0.976  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.489  -2.214  -2.094  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.348  -3.296   0.660  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.338  -4.407  -0.934  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.562  -2.206   1.020  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.979  -2.480   0.982  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.825  -3.818  -0.156  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.192  -3.978   1.483  1.00  1.00           H  
ATOM     75  N   SER A   5       4.041  -0.488  -0.708  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.189   0.560  -1.783  1.00  1.00           C  
ATOM     77  C   SER A   5       3.155   0.433  -2.805  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.624   0.534  -2.381  1.00  1.00           C  
ATOM     79  H   SER A   5       3.825  -0.216   0.208  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.770  -0.375  -2.944  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.761   1.385  -3.032  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.953   0.915  -2.760  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.238   0.624  -3.869  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.133   1.049  -4.066  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.811   0.790  -5.062  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.948  -0.140  -4.841  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.499  -0.435  -4.256  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.558  -0.474  -5.790  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.597   1.768  -3.044  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.951   2.314  -3.038  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.939   3.805  -2.719  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.923   4.347  -2.283  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.856   1.580  -2.025  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.153   2.186  -1.994  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.250   1.604  -0.627  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.012   1.936  -2.276  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.372   2.175  -4.026  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.957   0.551  -2.337  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.819   1.529  -2.210  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.823   0.962   0.024  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.267   2.613  -0.242  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -1.230   1.253  -0.671  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.071   4.464  -2.940  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.258   5.905  -2.755  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.956   6.820  -3.669  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.368   6.464  -5.043  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.823   6.313  -1.447  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.839   3.940  -3.252  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.130   7.860  -3.440  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.206   7.369  -5.609  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -3.054   5.824  -5.574  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.427   5.951  -4.909  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.126   5.478  -0.506  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.622   6.112   0.582  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.044   5.424   1.786  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.502   5.984   2.783  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.700   7.535   0.450  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.125   7.965  -1.073  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.066   8.219   1.202  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.885   4.105   1.714  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.234   3.233   2.832  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.008   3.019   3.723  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.819   1.870   2.319  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.842   1.209   1.537  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.219   0.996   3.469  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.059   2.206   1.419  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -7.980   2.916   2.256  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.770   1.007   0.803  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.527   3.710   0.891  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -5.995   3.739   3.407  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.810   1.604   0.662  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.683   0.095   3.095  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.920   1.525   4.098  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -5.345   0.733   4.046  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.749   2.857   0.616  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.833   2.475   2.239  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -7.058   0.402   0.265  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.535   1.353   0.123  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -8.224   0.417   1.585  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.886   2.496   3.342  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -1.990   2.438   4.356  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.651   1.899   4.215  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.178   1.851   5.125  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.474   2.959   5.598  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.056   3.489   5.376  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.919   3.004   6.522  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.399   1.450   2.988  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.902   0.887   2.628  1.00  1.00           C  
ATOM    149  C   THR A  12       1.468   1.610   1.409  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.809  -0.632   2.372  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.225  -0.918   1.347  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.387  -1.379   3.627  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.103   1.497   2.307  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.568   1.038   3.463  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.772  -1.005   2.050  1.00  1.00           H  
ATOM    156 HG21 THR A  12      -0.577  -1.019   3.953  1.00  1.00           H  
ATOM    157 HG22 THR A  12       1.116  -1.213   4.406  1.00  1.00           H  
ATOM    158 HG23 THR A  12       0.324  -2.436   3.413  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.585   1.318   0.826  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.829   2.128  -0.227  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.085   1.937  -1.029  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.817   3.113  -0.456  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.613   2.925   0.707  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.823   3.852  -1.243  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.133   2.722  -1.770  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.162   2.123  -0.043  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.284   1.511  -0.191  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.294   1.771   0.856  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.668   0.590  -1.270  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.785  -0.401  -0.861  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.607   0.909  -1.701  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.471   1.239   0.867  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.192   1.647   1.934  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.547   1.206   2.195  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.217   1.563   3.163  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.502   2.558   2.797  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.962   2.828   2.169  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.901   2.997   3.699  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.998   0.366   1.258  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.320  -0.289   1.231  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.244  -0.205   2.182  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.536  -1.067   0.015  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.623  -1.083  -0.810  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.388   0.174   0.516  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.055   0.379   3.067  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.184  -0.718   2.072  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.680  -1.723  -0.172  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.806  -2.240  -0.994  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.379  -1.683   0.510  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       13                                                                  
HETATM    1  O12 QUA A   0       1.284  -1.115  -0.349  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.137  -1.186   0.091  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.035  -1.605  -0.740  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.269  -1.651  -0.171  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.789  -1.931  -2.067  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.290  -2.041  -0.980  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.856  -2.328  -2.874  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.665  -2.086  -0.321  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.141  -2.384  -2.315  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.293  -0.803  -0.396  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.589  -3.145  -0.982  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.608  -2.690  -4.339  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.410  -2.074  -4.825  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.325  -2.793  -3.088  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.492  -4.200  -4.491  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.435  -3.137  -2.508  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.212  -1.878  -2.468  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.551  -2.345   0.722  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.098  -0.870  -0.915  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.612  -2.925  -0.721  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.436  -2.352  -4.940  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.619  -1.517  -5.578  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.274  -2.807  -4.166  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.409  -4.666  -4.162  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -0.670  -4.560  -3.889  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.315  -4.444  -5.528  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.276  -3.428  -3.121  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.268  -4.531  -0.527  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.666  -4.791   0.888  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.457  -5.177   1.739  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.434  -4.943   2.948  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.727  -5.909   0.977  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.331  -7.097   0.094  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.094  -5.370   0.576  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.114  -8.360   0.384  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.307  -4.689  -0.625  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.096  -3.881   1.287  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.788  -6.237   2.004  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.497  -6.837  -0.942  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.284  -7.315   0.241  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.339  -4.515   1.190  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.841  -6.137   0.714  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.073  -5.070  -0.462  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -6.976  -8.638   1.419  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.762  -9.157  -0.254  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.163  -8.185   0.196  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.457  -5.771   1.094  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.228  -6.171   1.772  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.067  -6.251   0.788  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.037  -7.131  -0.072  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.419  -7.509   2.471  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.546  -5.943   0.133  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.001  -5.426   2.522  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.238  -7.435   3.172  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -1.515  -7.770   3.001  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.640  -8.270   1.738  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.112  -5.330   0.933  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.060  -5.138   0.058  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.323  -5.815  -1.049  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.951  -4.088   0.526  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.638  -3.505   1.563  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.200  -4.728   1.702  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.650  -6.587  -1.386  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.212  -5.591  -1.620  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.045  -3.793  -0.173  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.938  -2.707   0.214  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.183  -1.761  -0.958  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.506  -2.202  -2.061  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.255  -3.267   0.731  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.257  -4.322  -0.970  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.469  -2.155   1.017  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.063  -3.935   1.559  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.887  -2.456   1.062  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.751  -3.809  -0.060  1.00  1.00           H  
ATOM     75  N   SER A   5       4.024  -0.459  -0.707  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.209   0.574  -1.789  1.00  1.00           C  
ATOM     77  C   SER A   5       3.190   0.453  -2.825  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.653   0.520  -2.361  1.00  1.00           C  
ATOM     79  H   SER A   5       3.783  -0.176   0.199  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.792  -0.394  -2.919  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.818   1.367  -3.010  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.991   0.947  -2.797  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.288   0.659  -3.913  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.077   1.099  -4.126  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.743   0.848  -5.131  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       2.003  -0.118  -4.872  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.543  -0.426  -4.267  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.621  -0.452  -5.826  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.550   1.816  -3.107  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.904   2.366  -3.114  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.892   3.862  -2.807  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.859   4.422  -2.437  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.812   1.640  -2.098  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.112   2.244  -2.080  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.213   1.676  -0.699  1.00  1.00           C  
ATOM     96  H   THR A   7       0.027   1.980  -2.332  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.318   2.220  -4.101  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.910   0.608  -2.403  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.511   2.175  -2.950  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.189   1.337  -0.737  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.782   1.030  -0.048  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.243   2.687  -0.319  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.045   4.504  -2.963  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.247   5.942  -2.766  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.964   6.867  -3.677  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.384   6.531  -5.058  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.806   6.334  -1.449  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.820   3.967  -3.232  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.148   7.904  -3.437  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.434   6.034  -4.937  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.245   7.442  -5.620  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.067   5.881  -5.586  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.107   5.487  -0.518  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.598   6.108   0.580  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.015   5.406   1.777  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.456   5.953   2.788  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.672   7.532   0.467  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.103   7.980  -1.053  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.033   8.207   1.228  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.878   4.086   1.677  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.207   3.199   2.788  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -3.980   3.024   3.683  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.733   1.818   2.262  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.776   1.265   1.377  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -5.974   0.871   3.396  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.062   2.092   1.478  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.051   2.416   2.463  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.563   0.940   0.619  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.550   3.702   0.839  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -5.991   3.674   3.360  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.093   1.914   1.196  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.525   0.014   3.040  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.542   1.370   4.167  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -5.027   0.544   3.800  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.924   2.949   0.836  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.372   1.610   2.873  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -7.525   0.021   1.185  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -6.940   0.848  -0.258  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -8.581   1.134   0.315  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.860   2.492   3.316  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -1.959   2.473   4.323  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.622   1.932   4.184  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.214   1.900   5.088  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.435   3.035   5.549  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.020   3.552   5.320  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.873   3.114   6.468  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.379   1.467   2.960  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.920   0.906   2.596  1.00  1.00           C  
ATOM    149  C   THR A  12       1.489   1.635   1.381  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.828  -0.612   2.337  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.230  -0.904   1.339  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.444  -1.363   3.602  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.089   1.501   2.285  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.587   1.055   3.432  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.784  -0.980   1.990  1.00  1.00           H  
ATOM    156 HG21 THR A  12       0.349  -2.416   3.381  1.00  1.00           H  
ATOM    157 HG22 THR A  12      -0.499  -0.987   3.972  1.00  1.00           H  
ATOM    158 HG23 THR A  12       1.208  -1.220   4.352  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.603   1.342   0.798  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.852   2.156  -0.251  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.110   1.960  -1.048  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.843   3.145  -0.479  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.636   2.954   0.681  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.853   3.887  -1.263  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.160   2.739  -1.795  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.185   2.153  -0.058  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.295   1.515  -0.178  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.303   1.789   0.870  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.670   0.558  -1.228  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.741  -0.427  -0.797  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.631   0.833  -1.642  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.458   1.214   0.920  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.184   1.643   1.977  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.520   1.161   2.272  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.206   1.553   3.215  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.523   2.622   2.786  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       7.001   2.922   2.127  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.932   3.089   3.670  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.922   0.224   1.408  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.219  -0.481   1.413  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.218  -0.254   2.258  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.309  -1.491   0.365  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.331  -1.627  -0.370  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.287  -0.019   0.703  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.121   0.499   3.021  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.132  -0.822   2.183  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.413  -2.224   0.226  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.454  -2.897  -0.485  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.167  -2.083   0.831  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       14                                                                  
HETATM    1  O12 QUA A   0       1.337  -1.138  -0.281  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.177  -1.196   0.125  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.973  -1.608  -0.737  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.227  -1.607  -0.214  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.686  -1.979  -2.045  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.226  -1.995  -1.050  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.732  -2.373  -2.880  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.625  -1.986  -0.445  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.038  -2.381  -2.368  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.225  -0.695  -0.602  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.540  -3.056  -1.100  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.440  -2.785  -4.323  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.207  -2.217  -4.781  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.204  -2.784  -3.171  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.363  -4.301  -4.429  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.340  -3.090  -2.620  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.330  -1.963  -2.408  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.558  -2.202   0.611  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -4.606  -0.106  -1.038  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.569  -2.824  -0.874  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.235  -2.440  -4.965  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.075  -2.667  -5.580  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.119  -2.824  -4.247  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.150  -4.579  -5.450  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -2.305  -4.732  -4.127  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -0.577  -4.666  -3.785  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.169  -3.379  -3.251  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.237  -4.430  -0.600  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.664  -4.649   0.813  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.468  -4.957   1.707  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.454  -4.608   2.888  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.683  -5.803   0.917  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.220  -7.000   0.077  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.058  -5.329   0.470  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.015  -8.265   0.321  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.274  -4.597  -0.675  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.140  -3.742   1.165  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.752  -6.102   1.952  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.311  -6.751  -0.969  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.184  -7.210   0.302  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.781  -6.114   0.634  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.030  -5.081  -0.580  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.340  -4.455   1.039  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -6.973  -8.521   1.370  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.595  -9.072  -0.262  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.042  -8.108   0.030  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.466  -5.615   1.132  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.246  -5.952   1.858  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.077  -6.132   0.898  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.053  -7.079   0.112  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.452  -7.213   2.683  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.549  -5.882   0.194  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.023  -5.139   2.534  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -1.562  -7.414   3.262  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.648  -8.046   2.025  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.291  -7.076   3.350  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.111  -5.215   0.979  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.074  -5.111   0.109  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.333  -5.869  -0.946  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.988  -4.058   0.521  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.678  -3.405   1.518  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.202  -4.550   1.693  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.645  -6.645  -1.238  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.236  -5.709  -1.515  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.092  -3.827  -0.186  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.016  -2.749   0.156  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.188  -1.784  -1.013  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.475  -2.204  -2.135  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.361  -3.325   0.571  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.290  -4.395  -0.960  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.606  -2.210   0.998  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.804  -3.846  -0.266  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.221  -4.014   1.391  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       6.015  -2.523   0.883  1.00  1.00           H  
ATOM     75  N   SER A   5       4.012  -0.486  -0.741  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.170   0.565  -1.810  1.00  1.00           C  
ATOM     77  C   SER A   5       3.147   0.444  -2.843  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.611   0.538  -2.393  1.00  1.00           C  
ATOM     79  H   SER A   5       3.777  -0.220   0.171  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.758  -0.366  -2.964  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.760   1.396  -3.033  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.945   0.927  -2.808  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.240   0.643  -3.924  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.130   1.073  -4.129  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.796   0.826  -5.134  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.959  -0.116  -4.894  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.503  -0.415  -4.295  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.578  -0.445  -5.850  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.605   1.776  -3.102  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.962   2.315  -3.099  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.958   3.811  -2.793  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.926   4.378  -2.434  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.859   1.584  -2.077  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.166   2.169  -2.060  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.257   1.636  -0.679  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.026   1.935  -2.327  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.382   2.165  -4.083  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.943   0.549  -2.375  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.758   1.615  -1.544  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.246   1.259  -0.707  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.849   1.028  -0.011  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.251   2.657  -0.325  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.118   4.445  -2.939  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.323   5.884  -2.756  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.089   6.796  -3.694  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.573   6.438  -5.095  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.824   6.295  -1.422  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.894   3.901  -3.189  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.270   7.834  -3.466  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.619   5.937  -5.010  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.455   7.340  -5.677  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.281   5.784  -5.583  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.119   5.460  -0.479  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.551   6.097   0.634  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -4.952   5.410   1.846  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.336   5.975   2.871  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.582   7.523   0.522  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.051   7.952  -1.018  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -4.894   8.209   1.294  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.870   4.087   1.745  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.248   3.214   2.853  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.037   2.967   3.753  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.851   1.865   2.327  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.840   1.136   1.655  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.392   1.049   3.459  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -6.990   2.221   1.307  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -7.914   3.057   2.016  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.742   1.032   0.724  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.547   3.688   0.910  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.006   3.731   3.425  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -5.097   0.213   1.596  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -5.604   0.842   4.166  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.785   0.118   3.079  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -7.181   1.597   3.952  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.571   2.786   0.489  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.811   2.768   1.834  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -7.038   0.286   0.391  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.339   1.361  -0.115  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -8.388   0.608   1.479  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.906   2.475   3.364  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.025   2.374   4.385  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.680   1.855   4.234  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.137   1.763   5.151  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.530   2.825   5.645  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.114   3.352   5.428  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.988   2.828   6.578  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.407   1.475   2.986  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.894   0.919   2.622  1.00  1.00           C  
ATOM    149  C   THR A  12       1.452   1.630   1.392  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.809  -0.604   2.386  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.221  -0.908   1.362  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.390  -1.337   3.651  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.096   1.573   2.296  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.565   1.084   3.452  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.774  -0.976   2.071  1.00  1.00           H  
ATOM    156 HG21 THR A  12       0.423  -2.402   3.478  1.00  1.00           H  
ATOM    157 HG22 THR A  12      -0.616  -1.047   3.918  1.00  1.00           H  
ATOM    158 HG23 THR A  12       1.064  -1.081   4.456  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.569   1.337   0.811  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.806   2.134  -0.255  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.065   1.941  -1.052  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.788   3.109  -0.497  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.585   2.929   0.670  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.788   3.837  -1.294  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.117   2.728  -1.790  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.137   2.123  -0.058  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.254   1.502  -0.195  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.257   1.759   0.861  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.639   0.576  -1.269  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.737  -0.416  -0.860  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.590   0.882  -1.686  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.429   1.218   0.882  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.146   1.623   1.954  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.495   1.170   2.223  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.165   1.521   3.193  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.458   2.542   2.809  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.924   2.824   2.169  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.854   2.981   3.713  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.941   0.325   1.290  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.261  -0.332   1.259  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.192  -0.244   2.202  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.463  -1.121   0.049  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.541  -1.140  -0.768  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.328   0.131   0.551  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.013   0.349   3.085  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.131  -0.760   2.090  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.602  -1.782  -0.144  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.717  -2.306  -0.964  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.307  -1.740   0.529  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       15                                                                  
HETATM    1  O12 QUA A   0       1.327  -1.153  -0.289  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.172  -1.209   0.127  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.986  -1.635  -0.720  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.234  -1.644  -0.181  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.714  -2.006  -2.029  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.242  -2.045  -1.002  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.765  -2.412  -2.849  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.634  -2.047  -0.377  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.067  -2.432  -2.321  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.239  -0.757  -0.509  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.560  -3.112  -1.028  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.487  -2.826  -4.292  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.264  -2.250  -4.768  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.236  -2.848  -3.111  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.396  -4.343  -4.388  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.365  -3.158  -2.549  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.298  -1.980  -2.406  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.548  -2.272   0.676  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.184  -0.859  -0.639  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.586  -2.865  -0.802  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.294  -2.494  -4.927  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.362  -2.948  -4.973  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.158  -2.898  -4.186  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.196  -4.629  -5.410  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -2.331  -4.780  -4.068  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -0.598  -4.696  -3.752  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.195  -3.456  -3.173  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.280  -4.489  -0.518  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.660  -4.672   0.913  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.447  -5.051   1.760  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.425  -4.820   2.969  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.755  -5.751   1.072  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.313  -7.075   0.432  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.057  -5.264   0.453  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.290  -8.212   0.653  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.327  -4.685  -0.626  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.059  -3.732   1.275  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.923  -5.907   2.126  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.208  -6.934  -0.633  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.361  -7.371   0.847  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -7.960  -5.244  -0.622  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.275  -4.269   0.812  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.860  -5.930   0.731  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -8.166  -8.059   0.040  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.579  -8.240   1.693  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -6.821  -9.147   0.384  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.441  -5.632   1.109  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.216  -6.041   1.789  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.060  -6.166   0.799  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.068  -7.048  -0.060  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.430  -7.359   2.519  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.525  -5.788   0.146  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.970  -5.284   2.521  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.240  -7.252   3.224  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -1.528  -7.630   3.044  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.676  -8.130   1.804  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.072  -5.277   0.935  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.113  -5.144   0.065  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.382  -5.885  -1.001  1.00  1.00           C  
HETATM   60  C   DHA A   3       2.011  -4.081   0.488  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.690  -3.441   1.489  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.145  -4.655   1.689  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.706  -6.668  -1.304  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.281  -5.701  -1.571  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.117  -3.832  -0.212  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.026  -2.746   0.144  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.197  -1.771  -1.017  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.457  -2.184  -2.148  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.375  -3.308   0.566  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.326  -4.393  -0.988  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.604  -2.216   0.986  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.815  -3.847  -0.261  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.241  -3.979   1.401  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       6.028  -2.498   0.856  1.00  1.00           H  
ATOM     75  N   SER A   5       4.049  -0.474  -0.729  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.197   0.586  -1.789  1.00  1.00           C  
ATOM     77  C   SER A   5       3.157   0.478  -2.808  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.630   0.559  -2.397  1.00  1.00           C  
ATOM     79  H   SER A   5       3.840  -0.215   0.192  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.767  -0.349  -2.966  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.764   1.413  -3.045  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.960   0.972  -2.754  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.236   0.696  -3.860  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.133   1.137  -4.042  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.820   0.887  -5.032  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.933  -0.071  -4.841  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.484  -0.385  -4.266  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.534  -0.395  -5.791  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.576   1.862  -3.018  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.936   2.395  -2.984  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.938   3.883  -2.642  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.965   4.408  -2.100  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.813   1.636  -1.968  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.112   2.233  -1.895  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.175   1.628  -0.586  1.00  1.00           C  
ATOM     96  H   THR A   7       0.027   2.044  -2.267  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.368   2.266  -3.965  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.917   0.614  -2.302  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.772   1.603  -2.191  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.147   2.635  -0.195  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.168   1.243  -0.656  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.755   1.002   0.076  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.039   4.557  -2.962  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.239   5.997  -2.764  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.917   6.926  -3.658  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.292   6.592  -5.021  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.841   6.382  -1.465  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.772   4.046  -3.362  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.104   7.962  -3.420  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.351   6.084  -4.869  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.123   7.505  -5.573  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.962   5.953  -5.578  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.141   5.534  -0.537  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.678   6.145   0.544  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.103   5.433   1.732  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.587   5.970   2.730  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.792   7.567   0.420  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.198   8.023  -1.088  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.192   8.234   1.170  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.918   4.119   1.640  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.277   3.217   2.730  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.068   3.001   3.643  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.821   1.856   2.168  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.836   1.269   1.338  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.163   0.918   3.284  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.093   2.175   1.310  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.129   2.522   2.239  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.578   1.041   0.417  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.530   3.747   0.820  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.062   3.695   3.298  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.024   1.152   1.837  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -5.259   0.606   3.787  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.668   0.051   2.885  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.809   1.417   3.989  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.893   3.030   0.683  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.164   3.478   2.337  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -8.565   1.274   0.043  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -7.615   0.122   0.983  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -6.898   0.924  -0.414  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.932   2.497   3.275  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.056   2.430   4.306  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.709   1.908   4.181  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.101   1.853   5.108  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.571   2.923   5.545  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.154   3.441   5.302  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -2.033   2.957   6.482  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.425   1.478   2.953  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.888   0.929   2.619  1.00  1.00           C  
ATOM    149  C   THR A  12       1.470   1.649   1.403  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.819  -0.594   2.378  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.218  -0.909   1.365  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.421  -1.335   3.645  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.114   1.532   2.257  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.538   1.096   3.465  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.786  -0.953   2.051  1.00  1.00           H  
ATOM    156 HG21 THR A  12      -0.561  -1.012   3.958  1.00  1.00           H  
ATOM    157 HG22 THR A  12       1.137  -1.121   4.426  1.00  1.00           H  
ATOM    158 HG23 THR A  12       0.407  -2.397   3.451  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.587   1.346   0.825  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.848   2.157  -0.223  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.108   1.953  -1.017  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.847   3.154  -0.456  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.633   2.976   0.699  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.867   3.897  -1.241  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.179   2.749  -1.746  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.180   2.103  -0.018  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.298   1.490  -0.184  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.308   1.707   0.875  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.682   0.604  -1.293  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.821  -0.394  -0.913  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.612   0.949  -1.725  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.490   1.188   0.850  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.213   1.544   1.936  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.574   1.102   2.162  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.250   1.410   3.142  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.521   2.399   2.850  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.974   2.689   2.245  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.921   2.793   3.772  1.00  1.00           H  
HETATM  179  N   DHA A  16      11.019   0.316   1.177  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.361  -0.288   1.073  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.351  -0.131   1.945  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.511  -1.108  -0.125  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.536  -1.192  -0.872  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.386   0.125   0.454  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.208   0.482   2.821  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.299  -0.615   1.783  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.661  -1.730  -0.379  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.741  -2.275  -1.188  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.409  -1.635   0.241  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       16                                                                  
HETATM    1  O12 QUA A   0       1.314  -1.171  -0.297  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.159  -1.215   0.124  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.004  -1.643  -0.716  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.252  -1.634  -0.176  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.736  -2.037  -2.021  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.263  -2.039  -0.991  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.793  -2.447  -2.835  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.655  -2.021  -0.367  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.092  -2.447  -2.304  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.261  -0.737  -0.545  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.574  -3.107  -0.990  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.522  -2.883  -4.274  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.304  -2.308  -4.766  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.269  -2.866  -3.084  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.429  -4.401  -4.351  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.396  -3.166  -2.512  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.276  -2.025  -2.401  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.573  -2.213   0.692  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.045  -0.825  -1.093  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.601  -2.873  -0.754  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.333  -2.562  -4.908  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.441  -2.829  -4.461  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.198  -2.926  -4.159  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.306  -4.702  -5.381  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -2.332  -4.839  -3.952  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -0.580  -4.738  -3.775  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.231  -3.468  -3.126  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.264  -4.473  -0.468  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.633  -4.653   0.966  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.416  -5.041   1.803  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.395  -4.842   3.018  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.727  -5.727   1.135  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.381  -6.980   0.321  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.080  -5.169   0.714  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.248  -8.178   0.650  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.307  -4.653  -0.582  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.021  -3.713   1.332  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.784  -5.990   2.181  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.506  -6.762  -0.729  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.353  -7.252   0.507  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.276  -4.256   1.255  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.853  -5.891   0.934  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.070  -4.964  -0.346  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.219  -8.362   1.713  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.876  -9.046   0.124  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.266  -7.983   0.346  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.406  -5.597   1.140  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.171  -5.996   1.809  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.027  -6.116   0.809  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.065  -6.962  -0.085  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.368  -7.313   2.546  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.492  -5.743   0.175  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.924  -5.235   2.535  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.165  -7.205   3.268  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -1.455  -7.578   3.057  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.624  -8.088   1.839  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.016  -5.259   0.972  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.176  -5.137   0.112  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.460  -5.897  -0.936  1.00  1.00           C  
HETATM   60  C   DHA A   3       2.063  -4.060   0.520  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.730  -3.402   1.506  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.079  -4.652   1.739  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.793  -6.691  -1.229  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.363  -5.720  -1.502  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.173  -3.820  -0.175  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.073  -2.722   0.166  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.230  -1.759  -1.007  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.506  -2.179  -2.131  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.429  -3.267   0.589  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.393  -4.396  -0.937  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.648  -2.188   1.003  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.901  -3.751  -0.253  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.295  -3.984   1.387  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       6.051  -2.457   0.934  1.00  1.00           H  
ATOM     75  N   SER A   5       4.052  -0.464  -0.733  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.189   0.591  -1.803  1.00  1.00           C  
ATOM     77  C   SER A   5       3.143   0.475  -2.816  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.618   0.573  -2.416  1.00  1.00           C  
ATOM     79  H   SER A   5       3.830  -0.199   0.184  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.757  -0.328  -2.994  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.747   1.433  -3.057  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.956   0.994  -2.775  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.226   0.701  -3.873  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.134   1.161  -4.072  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.823   0.898  -5.059  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.908  -0.105  -4.832  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.451  -0.433  -4.249  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.501  -0.447  -5.773  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.573   1.916  -3.066  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.924   2.469  -3.054  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.911   3.953  -2.696  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.919   4.469  -2.183  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.830   1.713  -2.060  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.113   2.347  -1.982  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.199   1.661  -0.675  1.00  1.00           C  
ATOM     96  H   THR A   7       0.028   2.106  -2.316  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.341   2.354  -4.044  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.960   0.701  -2.415  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.303   2.790  -2.812  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.784   1.017  -0.037  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.172   2.655  -0.254  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -1.193   1.276  -0.751  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.021   4.633  -2.971  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.218   6.066  -2.733  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.909   7.019  -3.608  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.302   6.723  -4.987  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.801   6.419  -1.416  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.765   4.129  -3.366  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.091   8.048  -3.339  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.144   7.651  -5.517  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.978   6.098  -5.551  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.358   6.214  -4.864  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.128   5.543  -0.523  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.637   6.129   0.587  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.085   5.384   1.748  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.549   5.894   2.767  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.697   7.557   0.525  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.093   8.054  -0.967  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.067   8.207   1.303  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.945   4.070   1.602  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.308   3.139   2.664  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.111   2.930   3.594  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.817   1.783   2.060  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.865   1.306   1.129  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.025   0.761   3.134  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.163   2.081   1.313  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.143   2.314   2.333  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.656   0.978   0.385  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.587   3.718   0.760  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.113   3.590   3.228  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -5.038   1.691   0.267  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.554   1.210   3.962  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -5.068   0.394   3.473  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.606  -0.060   2.742  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -7.053   2.982   0.731  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.733   3.020   2.056  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -8.641   1.228   0.022  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -7.698   0.042   0.924  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -6.979   0.882  -0.450  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.965   2.444   3.238  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.103   2.380   4.279  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.748   1.877   4.166  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.049   1.810   5.101  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.639   2.855   5.516  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.227   3.354   5.256  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -2.115   2.887   6.460  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.441   1.486   2.929  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.876   0.944   2.602  1.00  1.00           C  
ATOM    149  C   THR A  12       1.458   1.660   1.386  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.815  -0.579   2.368  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.226  -0.901   1.360  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.428  -1.316   3.639  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.117   1.563   2.223  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.521   1.119   3.450  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.782  -0.934   2.038  1.00  1.00           H  
ATOM    156 HG21 THR A  12      -0.559  -1.005   3.950  1.00  1.00           H  
ATOM    157 HG22 THR A  12       1.139  -1.088   4.419  1.00  1.00           H  
ATOM    158 HG23 THR A  12       0.428  -2.380   3.453  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.577   1.356   0.812  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.838   2.163  -0.240  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.101   1.957  -1.030  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.837   3.155  -0.481  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.621   2.981   0.672  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.857   3.893  -1.270  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.178   2.753  -1.756  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.170   2.097  -0.027  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.290   1.487  -0.198  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.296   1.690   0.866  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.676   0.613  -1.318  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.823  -0.388  -0.948  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.600   0.969  -1.750  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.476   1.165   0.843  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.193   1.511   1.935  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.548   1.069   2.175  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.209   1.381   3.164  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.505   2.361   2.849  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.962   2.665   2.243  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.910   2.742   3.774  1.00  1.00           H  
HETATM  179  N   DHA A  16      11.007   0.279   1.205  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.352  -0.312   1.135  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.324  -0.132   2.016  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.547  -1.154  -0.030  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.602  -1.280  -0.808  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.386   0.075   0.476  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.167   0.494   2.876  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.274  -0.611   1.872  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.721  -1.746  -0.214  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.855  -2.312  -1.001  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.437  -1.606   0.441  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       17                                                                  
HETATM    1  O12 QUA A   0       1.317  -1.147  -0.280  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.165  -1.212   0.151  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.999  -1.637  -0.686  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.239  -1.673  -0.131  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.741  -1.980  -2.006  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.252  -2.069  -0.946  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.799  -2.384  -2.820  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.633  -2.100  -0.299  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.092  -2.429  -2.274  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.251  -0.814  -0.389  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.561  -3.157  -0.959  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.537  -2.765  -4.276  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.336  -2.151  -4.760  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.269  -2.842  -3.055  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.413  -4.276  -4.402  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.388  -3.171  -2.483  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.266  -1.935  -2.398  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.529  -2.352   0.746  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.718  -0.625   0.428  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.584  -2.922  -0.714  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.360  -2.440  -4.891  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.549  -1.314  -5.177  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.208  -2.871  -4.131  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -0.573  -4.618  -3.817  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.262  -4.539  -5.438  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.317  -4.743  -4.040  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.223  -3.465  -3.100  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.264  -4.541  -0.486  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.637  -4.769   0.940  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.419  -5.165   1.768  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.383  -4.953   2.980  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.720  -5.861   1.071  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.387  -7.054   0.165  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.089  -5.289   0.730  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.233  -8.281   0.435  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.308  -4.725  -0.603  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.040  -3.843   1.332  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.742  -6.194   2.098  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.540  -6.768  -0.864  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.351  -7.327   0.307  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.101  -4.971  -0.302  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.295  -4.444   1.370  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.846  -6.046   0.882  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -6.936  -9.077  -0.233  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.274  -8.047   0.272  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.092  -8.599   1.458  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.422  -5.742   1.101  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.186  -6.150   1.763  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.035  -6.237   0.764  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.018  -7.117  -0.096  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.382  -7.485   2.465  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.521  -5.900   0.138  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.947  -5.407   2.509  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -1.470  -7.761   2.974  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.632  -8.243   1.737  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.184  -7.399   3.184  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.076  -5.316   0.898  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.109  -5.149   0.035  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.389  -5.860  -1.049  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.994  -4.087   0.485  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.666  -3.475   1.501  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.173  -4.693   1.648  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.723  -6.643  -1.373  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.288  -5.654  -1.611  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.099  -3.812  -0.206  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.984  -2.710   0.164  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.173  -1.748  -1.005  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.454  -2.172  -2.126  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.331  -3.247   0.630  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.327  -4.364  -0.982  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.533  -2.176   0.986  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.809  -3.773  -0.184  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.182  -3.924   1.457  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.956  -2.425   0.944  1.00  1.00           H  
ATOM     75  N   SER A   5       4.015  -0.451  -0.732  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.179   0.599  -1.801  1.00  1.00           C  
ATOM     77  C   SER A   5       3.148   0.489  -2.828  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.618   0.559  -2.389  1.00  1.00           C  
ATOM     79  H   SER A   5       3.786  -0.182   0.182  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.756  -0.347  -2.959  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.771   1.415  -3.031  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.951   0.982  -2.782  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.235   0.707  -3.893  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.132   1.151  -4.083  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.814   0.906  -5.079  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.938  -0.059  -4.870  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.485  -0.374  -4.283  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.545  -0.382  -5.822  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.583   1.869  -3.057  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.934   2.421  -3.038  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.920   3.894  -2.635  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.975   4.366  -2.003  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.850   1.637  -2.075  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.144   2.249  -2.019  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.252   1.572  -0.677  1.00  1.00           C  
ATOM     96  H   THR A   7       0.010   2.032  -2.293  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.342   2.339  -4.035  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.957   0.629  -2.450  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.663   1.974  -2.778  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.230   1.233  -0.737  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.824   0.884  -0.073  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.279   2.554  -0.227  1.00  1.00           H  
HETATM  103  N   DBU A   8      -2.972   4.615  -3.005  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.141   6.051  -2.762  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -2.798   7.002  -3.627  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.179   6.700  -5.000  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.734   6.411  -1.452  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.690   4.145  -3.480  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -2.962   8.032  -3.355  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.257   6.153  -4.867  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.974   7.628  -5.513  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.867   6.110  -5.585  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.073   5.544  -0.552  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.587   6.143   0.549  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.048   5.416   1.717  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.520   5.946   2.725  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.639   7.571   0.472  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.021   8.052  -1.018  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.013   8.230   1.241  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.911   4.097   1.599  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.261   3.192   2.691  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.051   3.011   3.610  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.770   1.814   2.134  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.791   1.274   1.267  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.036   0.851   3.252  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.082   2.092   1.324  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.094   2.398   2.291  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.559   0.946   0.440  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.569   3.725   0.759  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.060   3.654   3.252  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -3.919   1.560   1.550  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.522  -0.029   2.860  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.674   1.319   3.987  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -5.102   0.567   3.715  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.934   2.957   0.696  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.939   2.502   1.848  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -6.937   0.889  -0.441  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.584   1.122   0.146  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -7.495   0.017   0.987  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.918   2.497   3.259  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.039   2.469   4.287  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.692   1.945   4.173  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.124   1.917   5.094  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.549   3.005   5.511  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.135   3.510   5.255  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -2.008   3.074   6.443  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.419   1.483   2.954  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.896   0.942   2.616  1.00  1.00           C  
ATOM    149  C   THR A  12       1.461   1.655   1.390  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.837  -0.585   2.389  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.212  -0.917   1.393  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.464  -1.317   3.668  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.116   1.509   2.265  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.551   1.123   3.455  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.803  -0.938   2.052  1.00  1.00           H  
ATOM    156 HG21 THR A  12       0.424  -2.380   3.474  1.00  1.00           H  
ATOM    157 HG22 THR A  12      -0.502  -0.977   4.010  1.00  1.00           H  
ATOM    158 HG23 THR A  12       1.206  -1.118   4.427  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.582   1.365   0.815  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.824   2.165  -0.247  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.086   1.971  -1.037  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.807   3.138  -0.494  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.598   2.955   0.665  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.812   3.868  -1.290  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.150   2.763  -1.770  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.156   2.133  -0.039  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.270   1.506  -0.183  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.275   1.740   0.874  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.651   0.591  -1.269  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.754  -0.406  -0.870  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.598   0.903  -1.687  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.437   1.179   0.887  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.164   1.561   1.959  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.506   1.081   2.218  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.188   1.417   3.184  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.495   2.484   2.825  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.964   2.798   2.193  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.901   2.906   3.732  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.923   0.225   1.281  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.230  -0.459   1.235  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.183  -0.368   2.156  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.392  -1.276   0.038  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.452  -1.296  -0.759  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.295   0.037   0.552  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.034   0.244   3.029  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.109  -0.906   2.035  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.514  -1.962  -0.165  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.603  -2.505  -0.976  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.236  -1.917   0.492  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       18                                                                  
HETATM    1  O12 QUA A   0       1.331  -1.141  -0.298  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.171  -1.196   0.110  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.979  -1.613  -0.748  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.236  -1.598  -0.229  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.691  -2.004  -2.049  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.235  -1.993  -1.062  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.736  -2.404  -2.882  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.635  -1.970  -0.460  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.043  -2.399  -2.373  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.225  -0.676  -0.628  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.556  -3.039  -1.109  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.441  -2.839  -4.315  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.206  -2.281  -4.780  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.208  -2.804  -3.177  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.364  -4.357  -4.391  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.348  -3.095  -2.627  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.326  -1.998  -2.411  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.571  -2.178   0.598  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -4.585   0.002  -0.396  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.583  -2.793  -0.893  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.235  -2.507  -4.966  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.368  -1.749  -5.561  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.116  -2.861  -4.250  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -0.574  -4.710  -3.745  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.160  -4.658  -5.407  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.305  -4.783  -4.073  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.173  -3.387  -3.258  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.274  -4.411  -0.591  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.707  -4.607   0.823  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.525  -4.977   1.714  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.532  -4.708   2.915  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.792  -5.700   0.932  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.409  -6.920   0.086  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.142  -5.145   0.500  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.287  -8.132   0.325  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.314  -4.592  -0.662  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.130  -3.675   1.175  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.868  -5.998   1.967  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.485  -6.663  -0.959  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.390  -7.200   0.309  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.911  -5.879   0.685  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.115  -4.910  -0.553  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.358  -4.248   1.063  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.283  -8.378   1.377  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.906  -8.969  -0.241  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.296  -7.914   0.011  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.510  -5.595   1.114  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.294  -5.957   1.836  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.120  -6.128   0.876  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.098  -7.064   0.076  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.513  -7.231   2.639  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.581  -5.813   0.161  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.066  -5.159   2.527  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.341  -7.091   3.318  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -1.619  -7.460   3.202  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.732  -8.047   1.967  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.148  -5.218   0.974  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.036  -5.102   0.099  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.286  -5.839  -0.973  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.956  -4.059   0.526  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.655  -3.423   1.535  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.230  -4.571   1.704  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.593  -6.607  -1.277  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.185  -5.669  -1.546  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.058  -3.818  -0.185  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.985  -2.747   0.172  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.188  -1.785  -0.996  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.471  -2.210  -2.117  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.318  -3.332   0.615  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.252  -4.373  -0.969  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.564  -2.201   1.004  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.148  -4.061   1.394  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.950  -2.542   0.993  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.799  -3.809  -0.225  1.00  1.00           H  
ATOM     75  N   SER A   5       4.042  -0.485  -0.721  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.200   0.563  -1.793  1.00  1.00           C  
ATOM     77  C   SER A   5       3.172   0.441  -2.821  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.638   0.534  -2.385  1.00  1.00           C  
ATOM     79  H   SER A   5       3.827  -0.215   0.196  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.785  -0.376  -2.945  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.777   1.385  -3.036  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.971   0.929  -2.787  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.264   0.639  -3.900  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.104   1.069  -4.108  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.774   0.807  -5.108  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.978  -0.131  -4.865  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.522  -0.432  -4.267  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.593  -0.465  -5.817  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.572   1.797  -3.096  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.928   2.337  -3.100  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.924   3.832  -2.790  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.887   4.400  -2.446  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.829   1.602  -2.086  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.138   2.184  -2.074  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.234   1.650  -0.685  1.00  1.00           C  
ATOM     96  H   THR A   7       0.011   1.977  -2.329  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.342   2.190  -4.088  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.910   0.567  -2.388  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.445   2.297  -2.978  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.214   1.297  -0.715  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.813   1.020  -0.026  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.254   2.665  -0.318  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.086   4.464  -2.914  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.289   5.903  -2.724  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.014   6.822  -3.643  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.448   6.477  -5.027  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.834   6.302  -1.404  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.866   3.920  -3.153  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.197   7.860  -3.409  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.338   7.382  -5.606  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -3.122   5.804  -5.534  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.483   6.002  -4.913  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.129   5.462  -0.466  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.607   6.089   0.633  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.016   5.394   1.838  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.440   5.951   2.851  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.677   7.513   0.514  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.122   7.952  -1.013  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.029   8.192   1.277  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.896   4.072   1.742  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.253   3.194   2.851  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.031   2.965   3.742  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.845   1.838   2.328  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.868   1.177   1.543  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.250   0.959   3.472  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.081   2.185   1.427  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.021   2.851   2.280  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.765   0.997   0.762  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.561   3.680   0.908  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.013   3.700   3.428  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.298   1.828   1.126  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -5.373   0.650   4.020  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.763   0.087   3.096  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.907   1.508   4.130  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.774   2.869   0.652  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.752   2.260   2.473  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -7.042   0.443   0.183  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.549   1.353   0.110  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -8.190   0.354   1.518  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.904   2.464   3.352  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.013   2.385   4.368  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.669   1.864   4.216  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.152   1.785   5.130  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.506   2.863   5.621  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.092   3.385   5.409  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.954   2.884   6.550  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.402   1.468   2.974  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.898   0.909   2.613  1.00  1.00           C  
ATOM    149  C   THR A  12       1.466   1.625   1.391  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.807  -0.610   2.370  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.225  -0.906   1.347  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.384  -1.345   3.632  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.094   1.552   2.285  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.565   1.067   3.448  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.770  -0.985   2.053  1.00  1.00           H  
ATOM    156 HG21 THR A  12      -0.598  -1.010   3.931  1.00  1.00           H  
ATOM    157 HG22 THR A  12       1.090  -1.140   4.422  1.00  1.00           H  
ATOM    158 HG23 THR A  12       0.358  -2.408   3.440  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.586   1.331   0.815  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.834   2.133  -0.244  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.095   1.938  -1.037  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.820   3.112  -0.488  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.610   2.931   0.670  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.829   3.844  -1.282  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.151   2.724  -1.776  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.167   2.119  -0.044  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.289   1.507  -0.190  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.295   1.762   0.862  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.677   0.592  -1.271  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.800  -0.400  -0.866  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.616   0.916  -1.698  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.481   1.250   0.856  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.200   1.645   1.931  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.564   1.222   2.175  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.234   1.569   3.147  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.499   2.526   2.816  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.952   2.786   2.199  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.894   2.953   3.725  1.00  1.00           H  
HETATM  179  N   DHA A  16      11.023   0.405   1.221  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.372  -0.188   1.146  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.366   0.042   1.998  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.528  -1.083   0.005  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.551  -1.231  -0.728  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.393   0.176   0.505  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.220   0.710   2.832  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.321  -0.438   1.862  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.686  -1.705  -0.213  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.768  -2.302  -0.986  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.437  -1.559   0.394  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       19                                                                  
HETATM    1  O12 QUA A   0       1.281  -1.129  -0.324  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.139  -1.209   0.128  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.037  -1.636  -0.692  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.271  -1.664  -0.122  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.794  -1.987  -2.013  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.295  -2.065  -0.924  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.862  -2.393  -2.812  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.669  -2.092  -0.263  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.149  -2.433  -2.253  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.288  -0.804  -0.351  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.604  -3.152  -0.911  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.615  -2.786  -4.266  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.418  -2.175  -4.768  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.334  -2.847  -3.020  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.489  -4.298  -4.380  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.447  -3.172  -2.435  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.208  -1.947  -2.416  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.556  -2.340   0.781  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.494  -0.609  -1.268  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.626  -2.917  -0.657  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.444  -2.467  -4.876  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.328  -2.758  -4.616  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.282  -2.881  -4.096  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.286  -4.769  -3.824  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -0.536  -4.612  -3.978  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.555  -4.588  -5.418  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.289  -3.468  -3.044  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.300  -4.536  -0.436  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.649  -4.756   0.997  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.417  -5.141   1.811  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.360  -4.910   3.020  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.722  -5.854   1.152  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.361  -7.085   0.311  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.087  -5.312   0.750  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.212  -8.301   0.616  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.347  -4.722  -0.570  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.052  -3.831   1.388  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.768  -6.137   2.192  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.488  -6.849  -0.734  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.329  -7.349   0.493  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.102  -5.129  -0.315  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.276  -4.388   1.275  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.850  -6.032   1.003  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -6.812  -9.160   0.096  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.225  -8.124   0.287  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.206  -8.488   1.679  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.432  -5.733   1.139  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.181  -6.115   1.786  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.046  -6.214   0.772  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.047  -7.099  -0.084  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.346  -7.435   2.525  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.551  -5.917   0.184  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.935  -5.353   2.511  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -1.426  -7.677   3.036  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.582  -8.216   1.816  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.146  -7.348   3.245  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.083  -5.297   0.887  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.094  -5.144   0.012  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.363  -5.868  -1.066  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.984  -4.081   0.446  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.664  -3.460   1.459  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.169  -4.666   1.632  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.691  -6.653  -1.374  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.258  -5.672  -1.638  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.082  -3.809  -0.257  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.986  -2.724   0.117  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.183  -1.750  -1.042  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.458  -2.163  -2.168  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.325  -3.288   0.571  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.291  -4.352  -1.045  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.547  -2.192   0.948  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.167  -3.972   1.393  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.965  -2.480   0.894  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.791  -3.813  -0.249  1.00  1.00           H  
ATOM     75  N   SER A   5       4.039  -0.452  -0.753  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.215   0.610  -1.807  1.00  1.00           C  
ATOM     77  C   SER A   5       3.201   0.508  -2.851  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.662   0.577  -2.378  1.00  1.00           C  
ATOM     79  H   SER A   5       3.814  -0.193   0.166  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.808  -0.323  -2.954  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.821   1.439  -3.012  1.00  1.00           H  
HETATM   82  N   BB9 A   6       2.001   0.999  -2.821  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.305   0.732  -3.947  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.060   1.171  -4.164  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.716   0.932  -5.177  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       2.028  -0.023  -4.918  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.564  -0.339  -4.309  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.653  -0.338  -5.880  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.543   1.875  -3.142  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.903   2.412  -3.152  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.910   3.904  -2.826  1.00  1.00           C  
ATOM     92  O   THR A   7      -0.890   4.466  -2.427  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.810   1.665  -2.151  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.105   2.275  -2.111  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.203   1.662  -0.756  1.00  1.00           C  
ATOM     96  H   THR A   7       0.030   2.040  -2.364  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.307   2.272  -4.143  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.916   0.643  -2.483  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.758   1.624  -1.841  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.209   2.665  -0.357  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.186   1.301  -0.807  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.782   1.015  -0.114  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.066   4.540  -2.996  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.280   5.978  -2.801  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.012   6.903  -3.716  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.441   6.565  -5.101  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.831   6.367  -1.480  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.835   3.999  -3.275  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.203   7.938  -3.481  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.485   6.076  -4.987  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.314   7.474  -5.670  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.123   5.907  -5.620  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.116   5.519  -0.546  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.602   6.135   0.557  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.003   5.426   1.759  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.429   5.971   2.777  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.690   7.559   0.445  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.140   8.012  -1.082  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.050   8.231   1.210  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.870   4.106   1.652  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.213   3.210   2.753  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -3.997   3.012   3.660  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.747   1.837   2.211  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.768   1.259   1.368  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.051   0.902   3.341  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.040   2.130   1.375  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.055   2.498   2.320  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.543   0.974   0.521  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.535   3.725   0.813  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -5.998   3.687   3.321  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.868   1.604   0.478  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.579   0.039   2.964  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -6.664   1.407   4.073  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -5.129   0.582   3.803  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.858   2.970   0.724  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.462   3.322   2.046  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -6.908   0.865  -0.345  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -8.555   1.178   0.202  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -7.525   0.061   1.098  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.875   2.478   3.297  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -1.987   2.435   4.317  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.651   1.888   4.191  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.167   1.831   5.109  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.475   2.979   5.545  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.055   3.513   5.304  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -1.925   3.038   6.472  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.388   1.447   2.962  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.921   0.902   2.608  1.00  1.00           C  
ATOM    149  C   THR A  12       1.480   1.626   1.387  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.854  -0.619   2.364  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.213  -0.937   1.383  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.507  -1.365   3.641  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.090   1.488   2.278  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.582   1.070   3.444  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.812  -0.969   2.003  1.00  1.00           H  
ATOM    156 HG21 THR A  12       1.263  -1.172   4.387  1.00  1.00           H  
ATOM    157 HG22 THR A  12       0.463  -2.425   3.439  1.00  1.00           H  
ATOM    158 HG23 THR A  12      -0.452  -1.028   4.005  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.604   1.347   0.814  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.842   2.153  -0.244  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.109   1.973  -1.031  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.816   3.119  -0.489  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.607   2.921   0.667  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.816   3.852  -1.283  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.171   2.773  -1.756  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.170   2.131  -0.022  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.287   1.510  -0.159  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.278   1.742   0.915  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.681   0.602  -1.246  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.781  -0.396  -0.852  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.633   0.917  -1.651  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.449   1.201   0.939  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.151   1.583   2.031  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.499   1.127   2.310  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.150   1.458   3.299  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.452   2.484   2.895  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.928   2.780   2.240  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.836   2.904   3.813  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.960   0.298   1.370  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.292  -0.337   1.338  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.257  -0.155   2.232  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.463  -1.223   0.192  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.512  -1.328  -0.582  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.350   0.095   0.630  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.101   0.506   3.069  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.199  -0.665   2.126  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.608  -1.879   0.011  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.704  -2.468  -0.766  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.338  -1.766   0.649  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
MODEL       20                                                                  
HETATM    1  O12 QUA A   0       1.323  -1.156  -0.278  1.00  1.00           O  
HETATM    2  C11 QUA A   0       0.169  -1.214   0.146  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -0.994  -1.632  -0.696  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.242  -1.625  -0.154  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -0.729  -2.011  -2.003  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.255  -2.018  -0.972  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -1.787  -2.411  -2.820  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -4.645  -2.000  -0.344  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.087  -2.414  -2.289  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.235  -0.705  -0.488  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -5.585  -3.058  -0.987  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -1.516  -2.833  -4.263  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -0.289  -2.270  -4.742  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.264  -2.821  -3.074  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -1.440  -4.350  -4.357  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -5.396  -3.113  -2.507  1.00  1.00           C  
HETATM   17  HC3 QUA A   0       0.283  -1.999  -2.383  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -4.563  -2.219   0.709  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.747  -0.674  -1.301  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -6.607  -2.799  -0.758  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -2.320  -2.494  -4.896  1.00  1.00           H  
HETATM   22  H15 QUA A   0       0.099  -2.856  -5.396  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.189  -2.879  -4.149  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.218  -4.636  -5.373  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -2.386  -4.777  -4.060  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -0.660  -4.711  -3.703  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.231  -3.405  -3.128  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.317  -4.437  -0.474  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -5.674  -4.612   0.964  1.00  1.00           C  
ATOM     30  C   ILE A   1      -4.447  -4.977   1.795  1.00  1.00           C  
ATOM     31  O   ILE A   1      -4.419  -4.765   3.007  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -6.751  -5.701   1.147  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.410  -6.938   0.309  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.119  -5.152   0.768  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.285  -8.138   0.608  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.369  -4.649  -0.601  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.074  -3.675   1.327  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -6.778  -5.977   2.192  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.526  -6.698  -0.736  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.384  -7.221   0.496  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.304  -4.239   1.316  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.880  -5.878   1.014  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.145  -4.949  -0.292  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -8.311  -7.908   0.360  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.215  -8.382   1.658  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -6.953  -8.981   0.020  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.434  -5.529   1.130  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.187  -5.896   1.793  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.053  -6.042   0.784  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.088  -6.924  -0.073  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.363  -7.186   2.581  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.529  -5.694   0.169  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -1.935  -5.109   2.489  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.646  -7.983   1.909  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.134  -7.052   3.325  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -1.433  -7.440   3.068  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.052  -5.167   0.903  1.00  1.00           N  
HETATM   58  CA  DHA A   3       1.129  -5.059   0.026  1.00  1.00           C  
HETATM   59  CB  DHA A   3       1.369  -5.793  -1.051  1.00  1.00           C  
HETATM   60  C   DHA A   3       2.062  -4.031   0.456  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.769  -3.396   1.470  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.111  -4.538   1.652  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.667  -6.552  -1.360  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       2.269  -5.630  -1.625  1.00  1.00           H  
ATOM     65  N   ALA A   4       3.167  -3.806  -0.249  1.00  1.00           N  
ATOM     66  CA  ALA A   4       4.100  -2.738   0.101  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.251  -1.749  -1.050  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.531  -2.145  -2.182  1.00  1.00           O  
ATOM     69  CB  ALA A   4       5.453  -3.323   0.478  1.00  1.00           C  
ATOM     70  H   ALA A   4       3.361  -4.373  -1.025  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.707  -2.216   0.961  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.328  -4.028   1.287  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       6.113  -2.528   0.791  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.877  -3.828  -0.377  1.00  1.00           H  
ATOM     75  N   SER A   5       4.063  -0.461  -0.751  1.00  1.00           N  
ATOM     76  CA  SER A   5       4.199   0.610  -1.800  1.00  1.00           C  
ATOM     77  C   SER A   5       3.165   0.499  -2.822  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.634   0.607  -2.404  1.00  1.00           C  
ATOM     79  H   SER A   5       3.831  -0.216   0.168  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.779  -0.283  -2.995  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.766   1.479  -3.028  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.964   0.983  -2.773  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       1.250   0.705  -3.885  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.119   1.134  -4.075  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -0.793   0.894  -5.078  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.957  -0.054  -4.863  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.506  -0.358  -4.281  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.565  -0.379  -5.816  1.00  1.00           H  
ATOM     89  N   THR A   7      -0.586   1.831  -3.042  1.00  1.00           N  
ATOM     90  CA  THR A   7      -1.951   2.348  -3.020  1.00  1.00           C  
ATOM     91  C   THR A   7      -1.971   3.839  -2.697  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.001   4.384  -2.172  1.00  1.00           O  
ATOM     93  CB  THR A   7      -2.827   1.591  -1.999  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.132   2.178  -1.940  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.195   1.608  -0.612  1.00  1.00           C  
ATOM     96  H   THR A   7       0.004   2.002  -2.276  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.379   2.203  -4.001  1.00  1.00           H  
ATOM     98  HB  THR A   7      -2.918   0.564  -2.322  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.608   1.984  -2.750  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.750   0.955   0.043  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -2.215   2.614  -0.219  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -1.173   1.268  -0.678  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.085   4.492  -3.015  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.306   5.930  -2.826  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.043   6.853  -3.745  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.473   6.514  -5.130  1.00  1.00           C  
HETATM  107  C   DBU A   8      -3.857   6.320  -1.506  1.00  1.00           C  
HETATM  108  H   DBU A   8      -3.813   3.966  -3.406  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.241   7.887  -3.511  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -3.129   5.817  -5.630  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.494   6.071  -5.018  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.394   7.418  -5.717  1.00  1.00           H  
HETATM  113  N   BB9 A   9      -4.144   5.473  -0.572  1.00  1.00           N  
HETATM  114  CA  BB9 A   9      -4.632   6.091   0.530  1.00  1.00           C  
HETATM  115  C   BB9 A   9      -5.037   5.384   1.730  1.00  1.00           C  
HETATM  116  O   BB9 A   9      -5.468   5.928   2.747  1.00  1.00           O  
HETATM  117  CB  BB9 A   9      -4.717   7.514   0.417  1.00  1.00           C  
HETATM  118  SG  BB9 A   9      -4.163   7.966  -1.108  1.00  1.00           S  
HETATM  119  HB  BB9 A   9      -5.077   8.187   1.181  1.00  1.00           H  
HETATM  120  N   TS9 A  10      -4.904   4.064   1.624  1.00  1.00           N  
HETATM  121  CA  TS9 A  10      -5.275   3.169   2.715  1.00  1.00           C  
HETATM  122  C   TS9 A  10      -4.074   2.947   3.637  1.00  1.00           C  
HETATM  123  CB  TS9 A  10      -5.832   1.812   2.156  1.00  1.00           C  
HETATM  124  OG3 TS9 A  10      -4.874   1.243   1.283  1.00  1.00           O  
HETATM  125  CG2 TS9 A  10      -6.127   0.855   3.270  1.00  1.00           C  
HETATM  126  CG1 TS9 A  10      -7.136   2.139   1.348  1.00  1.00           C  
HETATM  127  OD2 TS9 A  10      -8.111   2.557   2.314  1.00  1.00           O  
HETATM  128  CD1 TS9 A  10      -7.706   0.990   0.527  1.00  1.00           C  
HETATM  129  H   TS9 A  10      -4.547   3.684   0.793  1.00  1.00           H  
HETATM  130  HA  TS9 A  10      -6.059   3.656   3.276  1.00  1.00           H  
HETATM  131  HG3 TS9 A  10      -4.832   0.295   1.425  1.00  1.00           H  
HETATM  132 HG21 TS9 A  10      -6.758   1.337   4.002  1.00  1.00           H  
HETATM  133 HG22 TS9 A  10      -5.204   0.545   3.736  1.00  1.00           H  
HETATM  134 HG23 TS9 A  10      -6.635  -0.012   2.876  1.00  1.00           H  
HETATM  135  HG1 TS9 A  10      -6.942   2.963   0.679  1.00  1.00           H  
HETATM  136  HD2 TS9 A  10      -8.399   1.798   2.827  1.00  1.00           H  
HETATM  137 HD11 TS9 A  10      -7.859   0.131   1.162  1.00  1.00           H  
HETATM  138 HD12 TS9 A  10      -7.015   0.737  -0.262  1.00  1.00           H  
HETATM  139 HD13 TS9 A  10      -8.649   1.291   0.096  1.00  1.00           H  
HETATM  140  N   BB9 A  11      -2.935   2.451   3.277  1.00  1.00           N  
HETATM  141  CA  BB9 A  11      -2.069   2.377   4.315  1.00  1.00           C  
HETATM  142  C   BB9 A  11      -0.719   1.860   4.198  1.00  1.00           C  
HETATM  143  O   BB9 A  11       0.081   1.791   5.131  1.00  1.00           O  
HETATM  144  CB  BB9 A  11      -2.596   2.854   5.555  1.00  1.00           C  
HETATM  145  SG  BB9 A  11      -4.178   3.369   5.301  1.00  1.00           S  
HETATM  146  HB  BB9 A  11      -2.067   2.879   6.496  1.00  1.00           H  
ATOM    147  N   THR A  12      -0.423   1.455   2.964  1.00  1.00           N  
ATOM    148  CA  THR A  12       0.894   0.915   2.630  1.00  1.00           C  
ATOM    149  C   THR A  12       1.467   1.636   1.412  1.00  1.00           C  
ATOM    150  CB  THR A  12       0.834  -0.607   2.391  1.00  1.00           C  
ATOM    151  OG1 THR A  12      -0.211  -0.926   1.389  1.00  1.00           O  
ATOM    152  CG2 THR A  12       0.453  -1.351   3.660  1.00  1.00           C  
ATOM    153  H   THR A  12      -1.103   1.523   2.263  1.00  1.00           H  
ATOM    154  HA  THR A  12       1.544   1.088   3.474  1.00  1.00           H  
ATOM    155  HB  THR A  12       1.799  -0.959   2.053  1.00  1.00           H  
ATOM    156 HG21 THR A  12       0.430  -2.413   3.462  1.00  1.00           H  
ATOM    157 HG22 THR A  12      -0.522  -1.026   3.990  1.00  1.00           H  
ATOM    158 HG23 THR A  12       1.181  -1.145   4.431  1.00  1.00           H  
HETATM  159  N   BB9 A  13       2.588   1.344   0.837  1.00  1.00           N  
HETATM  160  CA  BB9 A  13       2.836   2.154  -0.218  1.00  1.00           C  
HETATM  161  C   BB9 A  13       4.098   1.967  -1.011  1.00  1.00           C  
HETATM  162  CB  BB9 A  13       1.823   3.134  -0.455  1.00  1.00           C  
HETATM  163  SG  BB9 A  13       0.612   2.947   0.700  1.00  1.00           S  
HETATM  164  HB  BB9 A  13       1.833   3.872  -1.244  1.00  1.00           H  
HETATM  165  HC  BB9 A  13       4.165   2.772  -1.729  1.00  1.00           H  
HETATM  166  N   MH6 A  14       5.166   2.108  -0.006  1.00  1.00           N  
HETATM  167  CA  MH6 A  14       6.287   1.501  -0.175  1.00  1.00           C  
HETATM  168  C   MH6 A  14       7.289   1.705   0.891  1.00  1.00           C  
HETATM  169  CB  MH6 A  14       6.677   0.631  -1.294  1.00  1.00           C  
HETATM  170  HB2 MH6 A  14       6.811  -0.375  -0.928  1.00  1.00           H  
HETATM  171  HB3 MH6 A  14       7.612   0.979  -1.712  1.00  1.00           H  
HETATM  172  N   BB9 A  15       8.461   1.162   0.882  1.00  1.00           N  
HETATM  173  CA  BB9 A  15       9.178   1.512   1.972  1.00  1.00           C  
HETATM  174  C   BB9 A  15      10.528   1.044   2.215  1.00  1.00           C  
HETATM  175  O   BB9 A  15      11.201   1.351   3.198  1.00  1.00           O  
HETATM  176  CB  BB9 A  15       8.493   2.386   2.874  1.00  1.00           C  
HETATM  177  SG  BB9 A  15       6.959   2.702   2.251  1.00  1.00           S  
HETATM  178  HB  BB9 A  15       8.892   2.779   3.797  1.00  1.00           H  
HETATM  179  N   DHA A  16      10.964   0.228   1.252  1.00  1.00           N  
HETATM  180  CA  DHA A  16      12.291  -0.409   1.176  1.00  1.00           C  
HETATM  181  CB  DHA A  16      13.302  -0.191   2.011  1.00  1.00           C  
HETATM  182  C   DHA A  16      12.401  -1.342   0.059  1.00  1.00           C  
HETATM  183  O   DHA A  16      11.410  -1.478  -0.657  1.00  1.00           O  
HETATM  184  H   DHA A  16      10.331   0.031   0.529  1.00  1.00           H  
HETATM  185  HB1 DHA A  16      13.189   0.504   2.827  1.00  1.00           H  
HETATM  186  HB2 DHA A  16      14.238  -0.706   1.877  1.00  1.00           H  
HETATM  187  N   NH2 A  17      13.535  -2.005  -0.156  1.00  1.00           N  
HETATM  188  HN1 NH2 A  17      13.589  -2.628  -0.911  1.00  1.00           H  
HETATM  189  HN2 NH2 A  17      14.298  -1.868   0.438  1.00  1.00           H  
TER     190      NH2 A  17                                                      
ENDMDL                                                                          
CONECT    1    2                                                                
CONECT    2    1    3  151                                                      
CONECT    3    2    4    5                                                      
CONECT    4    3    6                                                           
CONECT    5    3    7   17                                                      
CONECT    6    4    8    9                                                      
CONECT    7    5    9   12                                                      
CONECT    8    6   10   11   18                                                 
CONECT    9    6    7   14                                                      
CONECT   10    8   19                                                           
CONECT   11    8   16   20   28                                                 
CONECT   12    7   13   15   21                                                 
CONECT   13   12   22                                                           
CONECT   14    9   16   23                                                      
CONECT   15   12   24   25   26                                                 
CONECT   16   11   14   27                                                      
CONECT   17    5                                                                
CONECT   18    8                                                                
CONECT   19   10                                                                
CONECT   20   11                                                                
CONECT   21   12                                                                
CONECT   22   13                                                                
CONECT   23   14                                                                
CONECT   24   15                                                                
CONECT   25   15                                                                
CONECT   26   15                                                                
CONECT   27   16                                                                
CONECT   28   11                                                                
CONECT   49   57                                                                
CONECT   57   49   58   62                                                      
CONECT   58   57   59   60                                                      
CONECT   59   58   63   64                                                      
CONECT   60   58   61   65                                                      
CONECT   61   60                                                                
CONECT   62   57                                                                
CONECT   63   59                                                                
CONECT   64   59                                                                
CONECT   65   60                                                                
CONECT   76  161                                                                
CONECT   77   82   87                                                           
CONECT   78  169                                                                
CONECT   82   77   83                                                           
CONECT   83   82   84   86                                                      
CONECT   84   83   85   89                                                      
CONECT   85   84                                                                
CONECT   86   83   87   88                                                      
CONECT   87   77   86                                                           
CONECT   88   86                                                                
CONECT   89   84                                                                
CONECT   91  103                                                                
CONECT  103   91  104  108                                                      
CONECT  104  103  105  107                                                      
CONECT  105  104  106  109                                                      
CONECT  106  105  110  111  112                                                 
CONECT  107  104  113  118                                                      
CONECT  108  103                                                                
CONECT  109  105                                                                
CONECT  110  106                                                                
CONECT  111  106                                                                
CONECT  112  106                                                                
CONECT  113  107  114                                                           
CONECT  114  113  115  117                                                      
CONECT  115  114  116  120                                                      
CONECT  116  115                                                                
CONECT  117  114  118  119                                                      
CONECT  118  107  117                                                           
CONECT  119  117                                                                
CONECT  120  115  121  129                                                      
CONECT  121  120  122  123  130                                                 
CONECT  122  121  140  145                                                      
CONECT  123  121  124  125  126                                                 
CONECT  124  123  131                                                           
CONECT  125  123  132  133  134                                                 
CONECT  126  123  127  128  135                                                 
CONECT  127  126  136                                                           
CONECT  128  126  137  138  139                                                 
CONECT  129  120                                                                
CONECT  130  121                                                                
CONECT  131  124                                                                
CONECT  132  125                                                                
CONECT  133  125                                                                
CONECT  134  125                                                                
CONECT  135  126                                                                
CONECT  136  127                                                                
CONECT  137  128                                                                
CONECT  138  128                                                                
CONECT  139  128                                                                
CONECT  140  122  141                                                           
CONECT  141  140  142  144                                                      
CONECT  142  141  143  147                                                      
CONECT  143  142                                                                
CONECT  144  141  145  146                                                      
CONECT  145  122  144                                                           
CONECT  146  144                                                                
CONECT  147  142                                                                
CONECT  149  159  163                                                           
CONECT  151    2                                                                
CONECT  159  149  160                                                           
CONECT  160  159  161  162                                                      
CONECT  161   76  160  166                                                      
CONECT  162  160  163  164                                                      
CONECT  163  149  162                                                           
CONECT  164  162                                                                
CONECT  166  161  167                                                           
CONECT  167  166  168  169                                                      
CONECT  168  167  172  177                                                      
CONECT  169   78  167  170  171                                                 
CONECT  170  169                                                                
CONECT  171  169                                                                
CONECT  172  168  173                                                           
CONECT  173  172  174  176                                                      
CONECT  174  173  175  179                                                      
CONECT  175  174                                                                
CONECT  176  173  177  178                                                      
CONECT  177  168  176                                                           
CONECT  178  176                                                                
CONECT  179  174  180  184                                                      
CONECT  180  179  181  182                                                      
CONECT  181  180  185  186                                                      
CONECT  182  180  183  187                                                      
CONECT  183  182                                                                
CONECT  184  179                                                                
CONECT  185  181                                                                
CONECT  186  181                                                                
CONECT  187  182  188  189                                                      
CONECT  188  187                                                                
CONECT  189  187                                                                
MASTER      160    0   12    0    0    0    0    6  109    1  127    2          
END