HEADER    ANTIBIOTIC                              27-AUG-10   2L2W              
TITLE     THIOSTREPTON                                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: THIOSTREPTON;                                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: ALANINAMIDE, BRYAMYCIN, GARGON, THIACTIN                    
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   08-MAY-13 2L2W    1       LINK   VERSN                             
REVDAT   1   02-FEB-11 2L2W    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 2L2W 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 RCSB101888.                                      
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, CHLOROFORM-    
REMARK 210                                   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 MACROCYLIC 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 THIOSTREPTON IS THIOPEPTIDE, A MEMBER OF ANTIBIOTIC CLASS.       
REMARK 400                                                                      
REMARK 400  GROUP: 1                                                            
REMARK 400   NAME: THIOSTREPTON                                                 
REMARK 400   CHAIN: A                                                           
REMARK 400   COMPONENT_1: PEPTIDE LIKE POLYMER                                  
REMARK 400   DESCRIPTION: Thiostrepton is a hetrocyclic thiopeptide belonging   
REMARK 400                to the thiocillin family, consisting of four          
REMARK 400                thiazole, one thiozoline and one piperideine rings.   
REMARK 400                A modified quinoline linked to main-chain residue 1   
REMARK 400                and side-chain of residue 12. Post translational      
REMARK 400                maturation of thiazole and oxazole containing         
REMARK 400                antibiotics involves the enzymic condensation of a    
REMARK 400                Cys or Ser with the alpha-carbonyl of the preceding   
REMARK 400                amino acid to form a thioether or ether bond, then    
REMARK 400                dehydration to form a double bond with the alpha-     
REMARK 400                amino nitrogen. Thiazoline or oxazoline ring are      
REMARK 400                dehydrogenated to form thiazole or oxazole rings.     
REMARK 400                the pyridinyl involves the cross-linking of a Ser     
REMARK 400                and a Cys-Ser pair usually separated by 7 or 8        
REMARK 400                residues along the peptide chain. The Ser residues    
REMARK 400                are dehydrated to didehydroalanines, then bonded      
REMARK 400                between their beta carbons. The alpha carbonyl of     
REMARK 400                the Cys condenses with alpha carbon of the first Ser  
REMARK 400                to form a pyridinyl ring. The ring may be mutiply     
REMARK 400                dehydrogenated to form a pyridine ring with loss of   
REMARK 400                the amino nitrogen of the first Ser. The amidation    
REMARK 400                of Ser-17 probably does not occur by the same         
REMARK 400                mechanism, oxidative cleavage of glycine, as in       
REMARK 400                eukaryotes.                                           
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 ALA A   2      124.19   -172.56                                   
REMARK 500  1 SER A   5       90.44     73.30                                   
REMARK 500  1 DCY A   9      -37.98   -145.32                                   
REMARK 500  2 ALA A   2      119.19   -172.12                                   
REMARK 500  2 SER A   5       89.15     72.56                                   
REMARK 500  2 DCY A   9      -37.74   -145.26                                   
REMARK 500  3 ALA A   2      128.02   -171.24                                   
REMARK 500  3 SER A   5       90.21     72.90                                   
REMARK 500  3 DCY A   9      -38.01   -144.35                                   
REMARK 500  4 ALA A   2      123.88   -172.27                                   
REMARK 500  4 SER A   5       90.82     73.73                                   
REMARK 500  4 DCY A   9      -36.60   -145.27                                   
REMARK 500  5 ALA A   2      126.44   -172.33                                   
REMARK 500  5 SER A   5       90.22     72.25                                   
REMARK 500  5 DCY A   9      -40.55   -143.92                                   
REMARK 500  6 ALA A   2      121.89   -173.51                                   
REMARK 500  6 SER A   5       89.90     71.63                                   
REMARK 500  6 DCY A   9      -40.52   -144.50                                   
REMARK 500  7 ALA A   2      122.14   -172.71                                   
REMARK 500  7 SER A   5       90.56     73.00                                   
REMARK 500  7 DCY A   9      -42.50   -144.83                                   
REMARK 500  8 ALA A   2      125.15   -170.64                                   
REMARK 500  8 SER A   5       90.24     73.72                                   
REMARK 500  8 DCY A   9      -29.32   -145.34                                   
REMARK 500  9 ALA A   2      121.04   -171.57                                   
REMARK 500  9 SER A   5       89.07     71.95                                   
REMARK 500  9 DCY A   9      -29.84   -144.94                                   
REMARK 500 10 ALA A   2      118.58   -173.13                                   
REMARK 500 10 SER A   5       89.16     71.39                                   
REMARK 500 10 DCY A   9      -37.36   -144.22                                   
REMARK 500 11 ALA A   2      126.72   -170.41                                   
REMARK 500 11 SER A   5       89.91     73.40                                   
REMARK 500 11 DCY A   9      -30.45   -145.07                                   
REMARK 500 12 ALA A   2      119.08   -172.80                                   
REMARK 500 12 SER A   5       90.34     72.33                                   
REMARK 500 12 DCY A   9      -41.98   -144.43                                   
REMARK 500 13 ALA A   2      123.29   -171.70                                   
REMARK 500 13 SER A   5       89.09     72.13                                   
REMARK 500 13 DCY A   9      -39.17   -144.07                                   
REMARK 500 14 SER A   5       89.74     72.64                                   
REMARK 500 14 DCY A   9      -38.47   -144.27                                   
REMARK 500 15 ALA A   2      119.95   -172.86                                   
REMARK 500 15 SER A   5       90.02     71.89                                   
REMARK 500 15 DCY A   9      -36.98   -145.04                                   
REMARK 500 16 ALA A   2      122.41   -171.74                                   
REMARK 500 16 SER A   5       89.77     71.68                                   
REMARK 500 16 DCY A   9      -43.05   -144.31                                   
REMARK 500 17 ALA A   2      123.94   -171.06                                   
REMARK 500 17 SER A   5       91.55     72.09                                   
REMARK 500 17 DCY A   9      -41.77   -145.17                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      59 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DCY A 9                   
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: 2L2X   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.                                            
DBREF  2L2W A    1    17  UNP    P0C8P8   THCL_STRAJ       1     17             
SEQADV 2L2W QUA A    0  UNP  P0C8P8              SEE REMARK 999                 
SEQADV 2L2W NH2 A   18  UNP  P0C8P8              AMIDATION                      
SEQRES   1 A   19  QUA ILE ALA DHA ALA SER BB9 THR DBU DCY TS9 BB9 THR          
SEQRES   2 A   19  BB9 MH6 BB9 DHA DHA NH2                                      
MODRES 2L2W DHA A    3  SER  2-AMINO-ACRYLIC ACID                               
MODRES 2L2W BB9 A    6  CYS                                                     
MODRES 2L2W DBU A    8  THR  (2E)-2-AMINOBUT-2-ENOIC ACID                       
MODRES 2L2W TS9 A   10  ILE                                                     
MODRES 2L2W BB9 A   11  CYS                                                     
MODRES 2L2W BB9 A   13  CYS                                                     
MODRES 2L2W MH6 A   14  SER  3-HYDROXY-2-IMINOPROPANOIC ACID                    
MODRES 2L2W BB9 A   15  CYS                                                     
MODRES 2L2W DHA A   16  SER  2-AMINO-ACRYLIC ACID                               
MODRES 2L2W DHA A   17  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    DCY  A   9       9                                                       
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    DHA  A  17       8                                                       
HET    NH2  A  18       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     DCY D-CYSTEINE                                                       
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    3(C3 H5 N O2)                                                
FORMUL   1  BB9    4(C3 H5 N O2 S)                                              
FORMUL   1  DBU    C4 H7 N O2                                                   
FORMUL   1  DCY    C3 H7 N O2 S                                                 
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  1.33  
LINK         C   DHA A   3                 N   ALA A   4     1555   1555  1.33  
LINK         C   DHA A  16                 N   DHA A  17     1555   1555  1.34  
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   DCY A   9     1555   1555  1.31  
LINK         C   DCY A   9                 N   TS9 A  10     1555   1555  1.33  
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   BB9 A  13                 N   MH6 A  14     1555   1555  1.47  
LINK         C   MH6 A  14                 N   BB9 A  15     1555   1555  1.29  
LINK         C   BB9 A  15                 N   DHA A  16     1555   1555  1.34  
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  1.53  
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   MH6 A  14                 SG  BB9 A  15     1555   1555  1.72  
LINK         C   THR A  12                 SG  BB9 A  13     1555   1555  1.72  
LINK         C   SER A   5                 SG  BB9 A   6     1555   1555  1.72  
LINK         C   DBU A   8                 SG  DCY A   9     1555   1555  1.73  
LINK         C   DHA A  17                 N   NH2 A  18     1555   1555  1.33  
SITE     1 AC1  4 THR A   7  DBU A   8  TS9 A  10  BB9 A  11                    
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       0.586  -1.178  -0.398  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.558  -1.189   0.058  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.744  -1.654  -0.729  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.973  -1.668  -0.147  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.512  -2.051  -2.040  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.003  -2.100  -0.927  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.585  -2.488  -2.815  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.373  -2.112  -0.257  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.865  -2.513  -2.243  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.999  -0.833  -0.395  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.306  -3.200  -0.861  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.351  -2.929  -4.260  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.129  -2.386  -4.774  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.055  -2.954  -2.987  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.296  -4.448  -4.341  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.162  -3.265  -2.386  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.514  -2.020  -2.453  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.252  -2.322   0.796  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.040  -0.594  -1.323  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.327  -2.965  -0.604  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.166  -2.587  -4.879  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -1.152  -2.397  -5.734  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.010  -3.017  -4.063  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -3.220  -4.863  -3.965  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.471  -4.810  -3.745  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.158  -4.749  -5.368  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.008  -3.581  -2.979  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.988  -4.567  -0.348  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.334  -4.757   1.091  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.092  -5.000   1.926  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.137  -4.943   3.155  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.316  -5.930   1.286  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.849  -7.159   0.496  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.719  -5.517   0.861  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.610  -8.424   0.827  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.035  -4.747  -0.479  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.806  -3.859   1.446  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.345  -6.177   2.338  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.973  -6.967  -0.559  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.803  -7.336   0.703  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.015  -4.634   1.410  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.411  -6.319   1.070  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.725  -5.302  -0.196  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -8.643  -8.312   0.534  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.558  -8.609   1.891  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.174  -9.257   0.296  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.980  -5.263   1.249  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.739  -5.604   1.926  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.581  -5.678   0.937  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.639  -6.425  -0.039  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.905  -6.920   2.665  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.996  -5.226   0.270  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.531  -4.832   2.653  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.782  -6.864   3.294  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.034  -7.105   3.274  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.026  -7.719   1.950  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.533  -4.899   1.208  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.636  -4.671   0.345  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.839  -5.197  -0.856  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.592  -3.755   0.936  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.326  -3.303   2.048  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.545  -4.436   2.072  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.111  -5.863  -1.290  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.732  -4.947  -1.409  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.692  -3.437   0.270  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.579  -2.372   0.716  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.956  -1.486  -0.461  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.586  -1.951  -1.411  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.817  -2.959   1.374  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.916  -3.932  -0.546  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.052  -1.779   1.450  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       4.518  -3.616   2.177  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.427  -2.161   1.769  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.383  -3.517   0.643  1.00  1.00           H  
ATOM     75  N   SER A   5       3.556  -0.210  -0.397  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.660   0.702  -1.603  1.00  1.00           C  
ATOM     77  C   SER A   5       2.644   0.349  -2.585  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.097   0.709  -2.201  1.00  1.00           C  
ATOM     79  H   SER A   5       3.175   0.125   0.448  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.315  -0.248  -2.647  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.170   1.479  -2.954  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.444   0.830  -2.669  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.739   0.290  -3.685  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.629   0.664  -3.984  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.288   0.218  -4.921  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.456  -0.685  -4.440  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       2.999  -0.839  -3.783  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.072  -1.234  -5.288  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.117   1.545  -3.112  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.481   2.054  -3.212  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.518   3.561  -2.972  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.512   4.163  -2.596  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.422   1.353  -2.210  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.757   1.851  -2.359  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.957   1.561  -0.774  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.545   1.859  -2.381  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.841   1.851  -4.212  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.419   0.293  -2.421  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.110   2.085  -1.496  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.111   2.591  -0.490  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.907   1.320  -0.697  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.523   0.918  -0.116  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.681   4.165  -3.191  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.936   5.599  -3.021  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.419   6.552  -3.795  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.481   6.257  -4.975  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.838   5.953  -1.898  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.426   3.602  -3.490  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.669   7.580  -3.586  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.585   5.775  -4.613  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.217   7.182  -5.466  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.980   5.607  -5.678  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.362   5.061  -1.099  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.223   5.683  -0.081  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.191   4.984   1.265  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.229   5.677   2.283  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.788   7.138   0.066  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.261   7.603  -1.586  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.239   5.674  -0.444  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.622   7.747   0.400  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -4.956   7.222   0.743  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.125   3.654   1.291  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.245   2.916   2.547  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.947   3.024   3.351  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.638   1.418   2.287  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.579   0.774   1.604  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.912   0.708   3.578  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.914   1.421   1.373  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.863   2.286   2.014  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.564   0.062   1.145  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.992   3.162   0.454  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.039   3.382   3.112  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.250   1.348   0.908  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.118  -0.334   3.380  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.767   1.158   4.061  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -6.052   0.784   4.225  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.663   1.839   0.410  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.556   1.758   2.418  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -7.797  -0.689   1.031  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.168   0.097   0.250  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.189  -0.186   1.990  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.801   2.520   3.010  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.846   2.787   3.933  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.466   2.354   3.825  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.600   2.603   4.664  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.306   3.546   5.052  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.943   3.871   4.846  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.702   3.858   5.891  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.211   1.649   2.723  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.140   1.166   2.437  1.00  1.00           C  
ATOM    151  C   THR A  12       0.742   1.895   1.248  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.184  -0.355   2.199  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.902  -0.779   1.280  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.004  -1.111   3.495  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.937   1.453   2.096  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.746   1.371   3.306  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.146  -0.622   1.785  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.738  -0.606   4.106  1.00  1.00           H  
ATOM    159 HG22 THR A  12       0.940  -1.151   4.018  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.340  -2.114   3.281  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.871   1.589   0.715  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.172   2.388  -0.321  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.459   2.163  -1.054  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.185   3.388  -0.600  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.072   3.218   0.512  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.238   4.125  -1.387  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.493   2.841  -1.894  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.492   2.534  -0.074  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.657   1.990  -0.139  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.625   2.428   0.890  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.127   0.989  -1.110  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.337   0.067  -0.592  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.034   1.343  -1.582  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.830   1.973   0.975  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.505   2.536   2.002  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.878   2.204   2.323  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.519   2.707   3.245  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.748   3.493   2.750  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.206   3.601   2.074  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.103   4.051   3.603  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.378   1.279   1.500  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.734   0.703   1.543  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.669   0.977   2.442  1.00  1.00           C  
HETATM  184  C   DHA A  16      11.979  -0.241   0.465  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.055  -0.437  -0.323  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.777   0.954   0.796  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.470   1.679   3.236  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.633   0.496   2.381  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.170  -0.840   0.371  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.578  -1.821  -0.652  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.797  -2.335  -1.592  1.00  1.00           C  
HETATM  192  C   DHA A  17      14.978  -2.199  -0.547  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.640  -1.680   0.349  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.837  -0.594   1.045  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.762  -2.043  -1.657  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.199  -3.048  -2.295  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.489  -3.075  -1.407  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.433  -3.325  -1.334  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.916  -3.457  -2.105  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL        2                                                                  
HETATM    1  O12 QUA A   0       0.606  -1.137  -0.392  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.541  -1.157   0.056  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.717  -1.638  -0.739  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.951  -1.664  -0.167  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.468  -2.040  -2.044  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.969  -2.113  -0.955  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.528  -2.493  -2.828  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.346  -2.136  -0.297  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.814  -2.531  -2.268  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.977  -0.857  -0.426  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.271  -3.225  -0.914  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.274  -2.941  -4.266  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.063  -2.368  -4.777  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.991  -2.989  -3.023  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.173  -4.457  -4.329  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.103  -3.302  -2.435  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.468  -1.999  -2.448  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.232  -2.354   0.756  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.268  -0.734  -1.332  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.295  -2.988  -0.675  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.093  -2.629  -4.894  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.581  -3.031  -5.279  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.931  -3.063  -4.098  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.368  -4.792  -3.690  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.978  -4.764  -5.345  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -3.103  -4.894  -3.993  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.938  -3.630  -3.037  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.962  -4.589  -0.394  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.355  -4.785   1.033  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.138  -5.035   1.903  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.214  -4.967   3.130  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.345  -5.957   1.188  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.841  -7.189   0.423  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.725  -5.542   0.698  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.660  -8.439   0.670  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.004  -4.763  -0.493  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.835  -3.888   1.377  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.420  -6.199   2.237  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.869  -6.982  -0.637  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.823  -7.396   0.716  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.438  -6.321   0.925  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.696  -5.382  -0.370  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -9.022  -4.628   1.190  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.727  -8.620   1.733  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.183  -9.282   0.191  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.652  -8.308   0.264  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.013  -5.318   1.257  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.786  -5.650   1.965  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.610  -5.739   0.999  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.606  -6.568   0.089  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.966  -6.954   2.719  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.008  -5.303   0.278  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.592  -4.867   2.684  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.143  -7.093   3.402  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.997  -7.772   2.016  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.895  -6.919   3.272  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.612  -4.883   1.219  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.537  -4.635   0.335  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.703  -5.125  -0.886  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.518  -3.748   0.928  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.288  -3.327   2.060  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.643  -4.382   2.061  1.00  1.00           H  
HETATM   63  HB1 DHA A   3      -0.044  -5.770  -1.320  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.584  -4.866  -1.455  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.601  -3.421   0.239  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.517  -2.387   0.694  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.915  -1.499  -0.474  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.534  -1.971  -1.427  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.742  -3.013   1.341  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.791  -3.888  -0.601  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.010  -1.787   1.436  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.298  -3.567   0.599  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.427  -3.683   2.128  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.368  -2.237   1.756  1.00  1.00           H  
ATOM     75  N   SER A   5       3.543  -0.216  -0.400  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.665   0.699  -1.603  1.00  1.00           C  
ATOM     77  C   SER A   5       2.649   0.360  -2.592  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.107   0.687  -2.191  1.00  1.00           C  
ATOM     79  H   SER A   5       3.168   0.124   0.447  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.316  -0.271  -2.638  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.197   1.459  -2.941  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.447   0.839  -2.666  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.742   0.316  -3.691  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.628   0.690  -3.983  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.290   0.243  -4.920  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.462  -0.645  -4.465  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.006  -0.805  -3.812  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.080  -1.179  -5.322  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.115   1.572  -3.112  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.492   2.053  -3.193  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.564   3.559  -2.962  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.575   4.188  -2.583  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.401   1.337  -2.172  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.751   1.799  -2.306  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.923   1.572  -0.745  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.534   1.909  -2.399  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.863   1.835  -4.185  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.375   0.276  -2.374  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.338   1.048  -2.417  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.867   1.358  -0.679  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.463   0.920  -0.074  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.102   2.600  -0.467  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.741   4.133  -3.191  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -4.031   5.564  -3.047  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.552   6.512  -3.848  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.625   6.216  -5.036  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.926   5.920  -1.918  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.472   3.548  -3.479  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.827   7.538  -3.657  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.399   7.136  -5.554  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -3.116   5.533  -5.714  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.710   5.770  -4.677  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.417   5.032  -1.095  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.280   5.655  -0.078  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.213   4.987   1.281  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.260   5.700   2.284  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.878   7.122   0.033  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.383   7.566  -1.634  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.299   5.615  -0.427  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.722   7.719   0.365  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.039   7.240   0.697  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.109   3.661   1.336  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.208   2.945   2.606  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.899   3.071   3.390  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.597   1.444   2.380  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.535   0.782   1.717  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.875   0.766   3.687  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.869   1.423   1.461  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.835   2.270   2.098  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.490   0.052   1.229  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.961   3.156   0.509  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -6.995   3.420   3.174  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.411   1.169   0.847  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -6.009   0.839   4.325  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.105  -0.275   3.512  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.717   1.243   4.167  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.620   1.844   0.499  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.561   2.440   1.493  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -7.710  -0.683   1.110  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.099   0.078   0.337  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.106  -0.212   2.077  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.758   2.560   3.044  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.791   2.844   3.949  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.414   2.408   3.830  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.535   2.672   4.650  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.235   3.625   5.060  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.874   3.946   4.870  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.619   3.952   5.884  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.179   1.680   2.740  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.163   1.182   2.445  1.00  1.00           C  
ATOM    151  C   THR A  12       0.764   1.907   1.254  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.186  -0.339   2.206  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.894  -0.749   1.276  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.028  -1.093   3.499  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.915   1.476   2.127  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.777   1.380   3.311  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.150  -0.619   1.803  1.00  1.00           H  
ATOM    158 HG21 THR A  12       0.909  -1.144   4.034  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.374  -2.091   3.280  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.760  -0.577   4.101  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.891   1.598   0.720  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.191   2.392  -0.319  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.477   2.160  -1.053  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.206   3.392  -0.600  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.050   3.228   0.514  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.257   4.126  -1.390  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.513   2.839  -1.893  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.515   2.526  -0.075  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.673   1.965  -0.130  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.642   2.402   0.896  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.131   0.949  -1.089  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.313   0.024  -0.564  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.052   1.277  -1.552  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.843   1.937   0.991  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.518   2.506   2.016  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.887   2.171   2.351  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.520   2.682   3.275  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.764   3.476   2.750  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.228   3.591   2.066  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.119   4.041   3.600  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.391   1.230   1.550  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.756   0.673   1.605  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.730   1.080   2.407  1.00  1.00           C  
HETATM  184  C   DHA A  16      11.962  -0.415   0.663  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.004  -0.731  -0.041  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.790   0.871   0.864  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.562   1.889   3.100  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.697   0.602   2.368  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.156  -1.013   0.596  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.526  -2.133  -0.290  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.706  -2.788  -1.098  1.00  1.00           C  
HETATM  192  C   DHA A  17      14.935  -2.483  -0.207  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.637  -1.829   0.565  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.852  -0.665   1.191  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.662  -2.517  -1.149  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.081  -3.596  -1.709  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.414  -3.474  -0.952  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.364  -3.704  -0.893  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.810  -3.960  -1.551  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL        3                                                                  
HETATM    1  O12 QUA A   0       0.560  -1.201  -0.425  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.583  -1.196   0.036  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.777  -1.653  -0.746  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -3.003  -1.657  -0.156  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.555  -2.052  -2.058  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.040  -2.082  -0.930  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.637  -2.482  -2.827  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.407  -2.084  -0.253  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.913  -2.496  -2.247  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -6.030  -0.802  -0.395  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.344  -3.173  -0.847  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.414  -2.926  -4.272  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.194  -2.386  -4.796  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.112  -2.930  -2.983  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.361  -4.445  -4.350  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.215  -3.238  -2.373  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.561  -2.028  -2.477  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.282  -2.287   0.801  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.870  -0.464  -1.279  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.362  -2.944  -0.578  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.232  -2.584  -4.886  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.498  -3.043  -4.728  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.076  -2.992  -4.060  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.264  -4.749  -5.382  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -3.269  -4.859  -3.936  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.512  -4.805  -3.787  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.068  -3.548  -2.957  1.00  1.00           H  
ATOM     28  N   ILE A   1      -6.012  -4.540  -0.341  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.346  -4.737   1.101  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.095  -4.951   1.931  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.126  -4.850   3.157  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.302  -5.932   1.298  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.748  -7.185   0.606  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.686  -5.586   0.767  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.565  -8.435   0.859  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.057  -4.710  -0.477  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.836  -3.849   1.458  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.389  -6.124   2.358  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.726  -7.018  -0.461  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.744  -7.370   0.956  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.009  -4.645   1.188  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.385  -6.361   1.044  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.648  -5.503  -0.309  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.722  -8.554   1.921  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.037  -9.295   0.475  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.520  -8.348   0.361  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.990  -5.241   1.253  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.737  -5.538   1.930  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.586  -5.623   0.934  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.666  -6.352  -0.055  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.873  -6.831   2.713  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.019  -5.258   0.274  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.539  -4.739   2.629  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.971  -7.657   2.026  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.756  -6.777   3.337  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.001  -6.974   3.331  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.518  -4.876   1.215  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.647  -4.650   0.343  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.835  -5.166  -0.864  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.617  -3.748   0.933  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.365  -3.301   2.051  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.509  -4.436   2.091  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.098  -5.820  -1.298  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.727  -4.918  -1.422  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.714  -3.437   0.258  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.614  -2.383   0.701  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.983  -1.490  -0.475  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.600  -1.953  -1.433  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.855  -2.982   1.340  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.928  -3.932  -0.560  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.099  -1.789   1.444  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.407  -3.540   0.600  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.561  -3.642   2.144  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.476  -2.191   1.733  1.00  1.00           H  
ATOM     75  N   SER A   5       3.587  -0.214  -0.401  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.691   0.706  -1.601  1.00  1.00           C  
ATOM     77  C   SER A   5       2.677   0.356  -2.588  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.131   0.716  -2.194  1.00  1.00           C  
ATOM     79  H   SER A   5       3.204   0.117   0.446  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.352  -0.239  -2.643  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.205   1.490  -2.944  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.475   0.833  -2.666  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.773   0.299  -3.687  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.598   0.670  -3.982  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.256   0.229  -4.925  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.493  -0.667  -4.452  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.038  -0.819  -3.797  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.113  -1.210  -5.305  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.091   1.538  -3.101  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.460   2.038  -3.191  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.508   3.545  -2.951  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.509   4.153  -2.568  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.386   1.332  -2.177  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.727   1.819  -2.313  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.906   1.549  -0.747  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.518   1.851  -2.370  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.828   1.831  -4.186  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.377   0.273  -2.385  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.341   1.083  -2.272  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.853   1.323  -0.682  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.456   0.897  -0.082  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.074   2.577  -0.461  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.674   4.140  -3.179  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.941   5.572  -3.010  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.406   6.532  -3.762  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.427   6.248  -4.912  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.883   5.914  -1.916  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.412   3.571  -3.482  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.670   7.557  -3.557  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.156   7.178  -5.390  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.897   5.596  -5.632  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.539   5.773  -4.521  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.391   5.017  -1.111  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.304   5.620  -0.128  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.260   4.963   1.238  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.356   5.681   2.235  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.955   7.103  -0.013  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.381   7.551  -1.655  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.311   5.544  -0.508  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.835   7.675   0.265  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.160   7.255   0.696  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.123   3.640   1.306  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.238   2.931   2.578  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.931   3.038   3.366  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.654   1.435   2.361  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.610   0.754   1.691  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.930   0.767   3.673  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.936   1.433   1.453  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.878   2.308   2.090  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.591   0.075   1.242  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.941   3.133   0.487  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.018   3.423   3.143  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.167   1.358   1.090  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.728   1.287   4.182  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -6.040   0.790   4.284  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.221  -0.258   3.505  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.687   1.840   0.485  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.769   2.059   1.834  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.276   0.131   0.408  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.133  -0.207   2.133  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -7.832  -0.664   1.036  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.788   2.535   3.012  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.823   2.800   3.925  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.443   2.367   3.804  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.568   2.624   4.632  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.270   3.559   5.050  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.909   3.885   4.862  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.657   3.871   5.882  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.199   1.651   2.707  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.146   1.156   2.419  1.00  1.00           C  
ATOM    151  C   THR A  12       0.757   1.888   1.238  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.175  -0.365   2.173  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.918  -0.776   1.256  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.016  -1.125   3.467  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.930   1.454   2.086  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.753   1.349   3.290  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.134  -0.639   1.755  1.00  1.00           H  
ATOM    158 HG21 THR A  12       0.929  -1.171   3.988  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.360  -2.124   3.250  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.743  -0.615   4.081  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.889   1.584   0.710  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.198   2.387  -0.320  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.488   2.163  -1.045  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.215   3.390  -0.599  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.049   3.217   0.503  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.274   4.131  -1.383  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.529   2.846  -1.882  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.517   2.528  -0.059  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.682   1.985  -0.122  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.645   2.417   0.914  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.157   0.992  -1.098  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.367   0.068  -0.585  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.065   1.349  -1.565  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.855   1.973   0.994  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.522   2.527   2.031  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.898   2.206   2.351  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.525   2.694   3.291  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.753   3.464   2.792  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.212   3.567   2.116  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.101   4.012   3.655  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.422   1.322   1.500  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.785   0.760   1.550  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.664   0.936   2.526  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.109  -0.041   0.381  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.235  -0.149  -0.479  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.844   1.028   0.766  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.408   1.534   3.386  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.640   0.480   2.461  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.311  -0.615   0.288  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.802  -1.443  -0.829  1.00  1.00           C  
HETATM  191  CB  DHA A  17      13.133  -1.729  -1.937  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.147  -1.952  -0.613  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.707  -1.648   0.440  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.923  -0.471   1.039  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      12.136  -1.345  -2.085  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.587  -2.348  -2.697  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.718  -2.714  -1.539  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.625  -3.054  -1.390  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      15.227  -2.925  -2.360  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL        4                                                                  
HETATM    1  O12 QUA A   0       0.582  -1.192  -0.388  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.564  -1.203   0.063  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.746  -1.667  -0.730  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.977  -1.689  -0.150  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.510  -2.056  -2.042  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.003  -2.120  -0.934  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.580  -2.492  -2.822  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.373  -2.139  -0.265  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.861  -2.524  -2.253  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.998  -0.857  -0.387  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.308  -3.220  -0.881  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.342  -2.926  -4.267  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.115  -2.383  -4.774  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.048  -2.965  -3.001  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.288  -4.445  -4.354  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.157  -3.279  -2.405  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.512  -2.019  -2.452  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.253  -2.361   0.786  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.737  -0.450  -1.217  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.329  -2.985  -0.627  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.153  -2.581  -4.888  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.473  -3.088  -4.882  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.001  -3.025  -4.078  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.540  -4.818  -3.671  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -2.034  -4.739  -5.361  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -3.253  -4.856  -4.092  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.000  -3.594  -3.002  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.994  -4.590  -0.377  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.345  -4.792   1.059  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.107  -5.067   1.892  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.157  -5.045   3.122  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.348  -5.952   1.234  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.889  -7.181   0.439  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.739  -5.512   0.800  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.752  -8.408   0.655  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.040  -4.771  -0.507  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.802  -3.892   1.425  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.390  -6.206   2.283  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.911  -6.947  -0.615  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.879  -7.432   0.726  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.754  -5.366  -0.269  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.992  -4.584   1.292  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -9.459  -6.270   1.071  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.844  -8.601   1.714  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.293  -9.259   0.174  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.732  -8.241   0.232  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.993  -5.317   1.213  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.749  -5.659   1.886  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.590  -5.709   0.897  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.637  -6.448  -0.086  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.904  -6.986   2.604  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.009  -5.271   0.235  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.548  -4.897   2.625  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.802  -6.963   3.206  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.048  -7.156   3.239  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.980  -7.781   1.878  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.551  -4.921   1.178  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.623  -4.686   0.325  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.838  -5.206  -0.875  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.577  -3.770   0.924  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.306  -3.321   2.036  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.574  -4.458   2.042  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.115  -5.872  -1.317  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.735  -4.952  -1.419  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.679  -3.453   0.262  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.572  -2.399   0.719  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.960  -1.505  -0.450  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.604  -1.963  -1.393  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.802  -3.000   1.379  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.901  -3.942  -0.557  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.046  -1.806   1.455  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.414  -2.211   1.788  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.370  -3.554   0.646  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       4.492  -3.665   2.173  1.00  1.00           H  
ATOM     75  N   SER A   5       3.552  -0.232  -0.383  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.657   0.688  -1.586  1.00  1.00           C  
ATOM     77  C   SER A   5       2.643   0.341  -2.571  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.095   0.699  -2.185  1.00  1.00           C  
ATOM     79  H   SER A   5       3.160   0.098   0.460  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.318  -0.257  -2.628  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.163   1.467  -2.942  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.446   0.829  -2.656  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.741   0.296  -3.676  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.625   0.677  -3.979  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.283   0.235  -4.920  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.456  -0.680  -4.434  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       2.996  -0.842  -3.774  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.073  -1.223  -5.286  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.114   1.557  -3.106  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.482   2.057  -3.199  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.530   3.566  -2.971  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.532   4.178  -2.590  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.410   1.359  -2.181  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.743   1.869  -2.299  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.913   1.559  -0.753  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.538   1.880  -2.383  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.851   1.844  -4.192  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.420   0.301  -2.396  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.020   1.831  -3.218  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.866   1.300  -0.696  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.475   0.924  -0.085  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.047   2.591  -0.464  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.696   4.160  -3.206  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.961   5.596  -3.059  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.458   6.538  -3.853  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.528   6.228  -5.036  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.858   5.965  -1.936  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.436   3.589  -3.501  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.715   7.568  -3.662  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.625   5.761  -4.672  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.277   7.146  -5.547  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.029   5.560  -5.723  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.372   5.084  -1.117  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.232   5.720  -0.106  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.187   5.048   1.252  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.250   5.756   2.258  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.809   7.181   0.012  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.286   7.619  -1.651  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.249   5.696  -0.461  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.648   7.790   0.333  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -4.977   7.286   0.686  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.083   3.721   1.302  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.221   2.998   2.563  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.920   3.075   3.368  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.655   1.512   2.315  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.628   0.840   1.610  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.920   0.812   3.613  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.950   1.545   1.428  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.893   2.371   2.126  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.592   0.192   1.149  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.909   3.221   0.477  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.001   3.491   3.124  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.518   1.241   0.745  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.236  -0.203   3.419  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.697   1.335   4.152  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -6.019   0.797   4.207  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.721   2.008   0.480  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.745   1.930   2.156  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -7.825  -0.529   0.915  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.269   0.280   0.311  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.139  -0.134   2.020  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.783   2.551   3.027  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.825   2.794   3.955  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.453   2.334   3.849  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.585   2.566   4.692  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.272   3.557   5.076  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.902   3.916   4.868  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.664   3.853   5.917  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.208   1.624   2.750  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.139   1.132   2.459  1.00  1.00           C  
ATOM    151  C   THR A  12       0.740   1.864   1.273  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.170  -0.388   2.213  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.913  -0.797   1.284  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.037  -1.151   3.502  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.939   1.428   2.127  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.749   1.328   3.327  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.133  -0.662   1.804  1.00  1.00           H  
ATOM    158 HG21 THR A  12       0.903  -1.204   4.031  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.384  -2.148   3.279  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.767  -0.640   4.112  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.869   1.562   0.738  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.168   2.366  -0.294  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.453   2.145  -1.030  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.180   3.366  -0.567  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.075   3.191   0.544  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.231   4.106  -1.351  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.483   2.827  -1.870  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.487   2.519  -0.053  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.654   1.984  -0.124  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.621   2.426   0.902  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.128   0.989  -1.098  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.347   0.068  -0.582  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.029   1.350  -1.574  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.843   2.013   0.956  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.513   2.572   1.988  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.903   2.283   2.278  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.535   2.770   3.215  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.733   3.478   2.775  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.178   3.549   2.126  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.081   4.024   3.639  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.432   1.426   1.401  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.815   0.915   1.396  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.749   1.188   2.296  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.088   0.043   0.266  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.164  -0.155  -0.521  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.837   1.110   0.689  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.529   1.836   3.129  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.735   0.758   2.196  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.304  -0.496   0.128  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.742  -1.403  -0.949  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.996  -1.828  -1.958  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.128  -1.819  -0.813  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.760  -1.385   0.151  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.965  -0.262   0.811  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.969  -1.512  -2.047  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.418  -2.496  -2.696  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.659  -2.639  -1.713  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.594  -2.919  -1.616  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      15.110  -2.956  -2.459  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL        5                                                                  
HETATM    1  O12 QUA A   0       0.578  -1.197  -0.414  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.568  -1.189   0.038  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.757  -1.643  -0.750  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.988  -1.639  -0.170  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.527  -2.049  -2.058  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.021  -2.063  -0.951  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.605  -2.478  -2.834  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.392  -2.053  -0.283  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.886  -2.485  -2.264  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -6.002  -0.768  -0.436  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.334  -3.137  -0.880  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.374  -2.930  -4.276  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.145  -2.402  -4.791  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.080  -2.917  -3.007  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.335  -4.450  -4.350  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.191  -3.214  -2.404  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.528  -2.032  -2.469  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.275  -2.253   0.773  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.371  -0.157  -0.820  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.352  -2.892  -0.624  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.183  -2.582  -4.898  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -1.237  -2.237  -5.733  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.034  -2.987  -4.083  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.243  -4.758  -5.380  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -3.245  -4.855  -3.933  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.487  -4.816  -3.788  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.039  -3.524  -2.994  1.00  1.00           H  
ATOM     28  N   ILE A   1      -6.028  -4.503  -0.356  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.375  -4.677   1.085  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.133  -4.909   1.924  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.176  -4.829   3.152  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.353  -5.853   1.293  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.866  -7.096   0.539  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.752  -5.458   0.842  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.604  -8.366   0.914  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.075  -4.691  -0.483  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.850  -3.777   1.430  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.393  -6.075   2.350  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.998  -6.940  -0.521  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.818  -7.250   0.746  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.070  -4.578   1.381  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.439  -6.267   1.040  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.742  -5.247  -0.217  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -8.648  -8.267   0.655  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.512  -8.535   1.977  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.178  -9.201   0.378  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.024  -5.190   1.251  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.786  -5.534   1.931  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.633  -5.623   0.939  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.714  -6.346  -0.053  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.960  -6.844   2.677  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.040  -5.164   0.273  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.573  -4.758   2.652  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.114  -7.642   1.968  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.822  -6.769   3.327  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.079  -7.045   3.267  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.561  -4.884   1.226  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.607  -4.663   0.359  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.801  -5.184  -0.844  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.573  -3.757   0.950  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.316  -3.306   2.064  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.553  -4.446   2.103  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.066  -5.841  -1.278  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.695  -4.939  -1.398  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.672  -3.446   0.279  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.571  -2.391   0.724  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.951  -1.505  -0.454  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.562  -1.978  -1.411  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.806  -2.993   1.374  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.886  -3.939  -0.540  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.052  -1.794   1.462  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.367  -3.547   0.636  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.503  -3.658   2.170  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.421  -2.204   1.778  1.00  1.00           H  
ATOM     75  N   SER A   5       3.576  -0.222  -0.382  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.686   0.689  -1.588  1.00  1.00           C  
ATOM     77  C   SER A   5       2.671   0.342  -2.571  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.126   0.684  -2.180  1.00  1.00           C  
ATOM     79  H   SER A   5       3.206   0.119   0.466  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.339  -0.275  -2.623  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.208   1.453  -2.933  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.474   0.827  -2.653  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.767   0.293  -3.670  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.599   0.673  -3.966  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.263   0.227  -4.902  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.481  -0.682  -4.430  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.023  -0.843  -3.774  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.096  -1.227  -5.280  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.082   1.559  -3.096  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.449   2.059  -3.185  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.499   3.563  -2.932  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.507   4.170  -2.529  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.378   1.345  -2.180  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.721   1.821  -2.328  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.914   1.562  -0.745  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.501   1.882  -2.375  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.813   1.859  -4.182  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.358   0.285  -2.391  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.781   2.720  -2.000  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.083   2.591  -0.462  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.861   1.336  -0.668  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.471   0.912  -0.085  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.662   4.158  -3.173  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.940   5.585  -2.984  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.404   6.560  -3.714  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.412   6.302  -4.860  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.893   5.901  -1.894  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.391   3.592  -3.502  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.676   7.580  -3.494  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.141   7.241  -5.319  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.872   5.660  -5.596  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.526   5.824  -4.468  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.391   4.988  -1.103  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.319   5.565  -0.118  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.262   4.897   1.242  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.326   5.609   2.245  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -6.000   7.051   0.012  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.420   7.527  -1.619  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.323   5.472  -0.501  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.892   7.603   0.287  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.214   7.212   0.730  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.148   3.571   1.298  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.241   2.859   2.570  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.936   3.000   3.355  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.616   1.352   2.351  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.554   0.704   1.675  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.865   0.675   3.663  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.901   1.313   1.451  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.867   2.151   2.099  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.512  -0.066   1.232  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.996   3.066   0.471  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.035   3.328   3.135  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.091   1.338   1.123  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -5.977   0.729   4.274  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.119  -0.361   3.494  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.681   1.166   4.172  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.672   1.735   0.483  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.389   1.624   2.709  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.168  -0.037   0.375  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.077  -0.350   2.108  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -7.727  -0.786   1.062  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.789   2.507   3.007  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.826   2.801   3.913  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.443   2.385   3.794  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.567   2.665   4.614  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.281   3.572   5.025  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.924   3.873   4.836  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.669   3.907   5.850  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.195   1.654   2.709  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.151   1.160   2.427  1.00  1.00           C  
ATOM    151  C   THR A  12       0.766   1.893   1.248  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.179  -0.360   2.181  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.910  -0.767   1.257  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.024  -1.120   3.473  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.925   1.445   2.089  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.754   1.353   3.301  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.139  -0.636   1.768  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.738  -0.598   4.092  1.00  1.00           H  
ATOM    159 HG22 THR A  12       0.922  -1.190   3.990  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.390  -2.110   3.255  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.893   1.580   0.713  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.206   2.387  -0.312  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.490   2.154  -1.047  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.233   3.404  -0.580  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.028   3.237   0.527  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.297   4.150  -1.358  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.521   2.827  -1.894  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.531   2.537  -0.077  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.690   1.982  -0.133  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.666   2.437   0.883  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.150   0.957  -1.083  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.334   0.039  -0.549  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.069   1.283  -1.549  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.865   1.971   0.979  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.549   2.555   1.988  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.918   2.215   2.318  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.567   2.743   3.221  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.803   3.541   2.710  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.262   3.648   2.034  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.166   4.120   3.547  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.399   1.249   1.535  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.746   0.653   1.602  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.732   1.045   2.396  1.00  1.00           C  
HETATM  184  C   DHA A  16      11.918  -0.461   0.681  1.00  1.00           C  
HETATM  185  O   DHA A  16      10.950  -0.758  -0.018  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.790   0.897   0.852  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.589   1.872   3.073  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.684   0.536   2.365  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.086  -1.106   0.637  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.420  -2.251  -0.230  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.635  -2.779  -1.158  1.00  1.00           C  
HETATM  192  C   DHA A  17      14.746  -2.788   0.025  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.418  -2.247   0.902  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.785  -0.788   1.246  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.653  -2.372  -1.335  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      12.979  -3.621  -1.738  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.184  -3.824  -0.684  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.079  -4.182  -0.509  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.607  -4.216  -1.371  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL        6                                                                  
HETATM    1  O12 QUA A   0       0.584  -1.181  -0.391  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.559  -1.195   0.068  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.747  -1.652  -0.721  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.973  -1.675  -0.133  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.522  -2.031  -2.038  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.008  -2.099  -0.911  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.599  -2.461  -2.813  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.372  -2.118  -0.231  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.877  -2.495  -2.233  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.993  -0.831  -0.337  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.317  -3.188  -0.847  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.373  -2.881  -4.266  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.147  -2.340  -4.775  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.070  -2.929  -2.976  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.330  -4.400  -4.370  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.175  -3.243  -2.373  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.526  -1.994  -2.455  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.245  -2.348   0.818  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.339  -0.715  -1.225  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.336  -2.946  -0.587  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.185  -2.523  -4.876  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.419  -2.919  -4.537  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.029  -2.986  -4.052  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -3.268  -4.811  -4.032  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.527  -4.780  -3.757  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.163  -4.684  -5.399  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.023  -3.554  -2.965  1.00  1.00           H  
ATOM     28  N   ILE A   1      -6.013  -4.563  -0.348  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.379  -4.770   1.084  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.152  -5.070   1.924  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.215  -5.078   3.154  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.400  -5.916   1.245  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.962  -7.141   0.431  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.785  -5.447   0.817  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.839  -8.359   0.634  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.058  -4.745  -0.467  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.825  -3.865   1.453  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.446  -6.183   2.290  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.982  -6.892  -0.618  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.953  -7.409   0.713  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.033  -4.535   1.339  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.514  -6.207   1.057  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.790  -5.265  -0.247  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.408  -9.203   0.115  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.826  -8.163   0.241  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.909  -8.582   1.688  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.033  -5.304   1.250  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.797  -5.670   1.923  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.640  -5.723   0.933  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.681  -6.476  -0.039  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.971  -7.006   2.623  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.039  -5.231   0.274  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.587  -4.920   2.672  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.829  -6.952   3.278  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.087  -7.230   3.199  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.130  -7.778   1.887  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.608  -4.921   1.200  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.545  -4.662   0.323  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.720  -5.141  -0.900  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.523  -3.774   0.925  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.288  -3.361   2.059  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.619  -4.468   2.069  1.00  1.00           H  
HETATM   63  HB1 DHA A   3      -0.022  -5.785  -1.344  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.602  -4.874  -1.462  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.607  -3.440   0.240  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.523  -2.406   0.702  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.925  -1.512  -0.463  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.543  -1.980  -1.417  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.746  -3.036   1.350  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.801  -3.903  -0.602  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.012  -1.810   1.445  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.286  -3.613   0.615  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.431  -3.682   2.156  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.386  -2.258   1.741  1.00  1.00           H  
ATOM     75  N   SER A   5       3.557  -0.228  -0.382  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.677   0.691  -1.581  1.00  1.00           C  
ATOM     77  C   SER A   5       2.672   0.348  -2.579  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.121   0.693  -2.164  1.00  1.00           C  
ATOM     79  H   SER A   5       3.189   0.109   0.468  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.342  -0.266  -2.603  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.202   1.459  -2.922  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.473   0.827  -2.667  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.780   0.303  -3.699  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.586   0.679  -4.004  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.234   0.251  -4.959  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.508  -0.656  -4.465  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.045  -0.816  -3.795  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.136  -1.191  -5.326  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.087   1.535  -3.116  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.451   2.041  -3.217  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.494   3.545  -2.963  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.499   4.144  -2.556  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.393   1.330  -2.222  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.730   1.821  -2.374  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.937   1.534  -0.782  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.522   1.833  -2.372  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.808   1.845  -4.218  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.384   0.272  -2.437  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.776   2.726  -2.057  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.119   2.558  -0.487  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.881   1.320  -0.704  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.487   0.870  -0.132  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.652   4.149  -3.206  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.911   5.581  -3.033  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.380   6.537  -3.791  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.419   6.248  -4.955  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.835   5.928  -1.926  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.388   3.588  -3.528  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.635   7.564  -3.583  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.125   7.177  -5.419  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.913   5.622  -5.683  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.542   5.739  -4.579  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.342   5.034  -1.119  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.232   5.643  -0.119  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.177   4.974   1.241  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.200   5.686   2.245  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.860   7.120   0.002  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.307   7.571  -1.647  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.245   5.585  -0.485  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.727   7.702   0.297  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.051   7.254   0.698  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.109   3.645   1.293  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.235   2.927   2.559  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.935   3.027   3.361  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.649   1.434   2.324  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.564   0.737   1.741  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -7.030   0.782   3.618  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.859   1.434   1.322  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.809   2.373   1.841  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.550   0.091   1.123  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.971   3.138   0.465  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.021   3.414   3.119  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.452   1.023   0.830  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.906   1.268   4.021  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -6.215   0.871   4.321  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.244  -0.262   3.449  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.521   1.781   0.357  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.045   3.003   1.156  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.213  -0.098   1.954  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -7.809  -0.692   1.072  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.120   0.109   0.206  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.792   2.516   3.018  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.834   2.777   3.943  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.456   2.336   3.837  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.589   2.585   4.676  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.290   3.539   5.062  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.924   3.874   4.856  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.684   3.847   5.900  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.201   1.624   2.740  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.149   1.138   2.457  1.00  1.00           C  
ATOM    151  C   THR A  12       0.755   1.871   1.273  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.188  -0.383   2.215  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.899  -0.800   1.295  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.004  -1.142   3.510  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.928   1.424   2.114  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.753   1.338   3.329  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.149  -0.652   1.800  1.00  1.00           H  
ATOM    158 HG21 THR A  12       0.945  -1.205   4.022  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.365  -2.136   3.294  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.716  -0.622   4.131  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.884   1.566   0.737  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.186   2.372  -0.293  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.471   2.152  -1.031  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.203   3.377  -0.563  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.054   3.203   0.547  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.257   4.119  -1.345  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.495   2.827  -1.874  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.508   2.539  -0.060  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.672   1.996  -0.117  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.643   2.455   0.899  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.141   0.977  -1.068  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.335   0.060  -0.535  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.058   1.314  -1.534  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.858   2.030   0.966  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.535   2.609   1.982  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.920   2.309   2.280  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.557   2.814   3.204  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.766   3.548   2.740  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.213   3.621   2.088  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.121   4.115   3.588  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.437   1.419   1.431  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.817   0.900   1.433  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.777   1.245   2.279  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.053  -0.070   0.376  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.104  -0.329  -0.362  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.833   1.077   0.739  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.583   1.966   3.057  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.757   0.802   2.191  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.261  -0.629   0.251  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.665  -1.619  -0.764  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.900  -2.090  -1.740  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.040  -2.065  -0.607  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.689  -1.585   0.321  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.940  -0.353   0.901  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.881  -1.750  -1.844  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.297  -2.817  -2.433  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.543  -2.958  -1.454  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.470  -3.255  -1.343  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.981  -3.307  -2.176  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL        7                                                                  
HETATM    1  O12 QUA A   0       0.608  -1.140  -0.368  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.536  -1.162   0.084  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.716  -1.629  -0.711  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.954  -1.619  -0.146  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.471  -2.053  -2.009  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.977  -2.056  -0.932  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.537  -2.495  -2.792  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.356  -2.038  -0.281  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.826  -2.496  -2.238  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.964  -0.752  -0.453  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.295  -3.126  -0.877  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.286  -2.966  -4.222  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.070  -2.410  -4.741  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.010  -2.941  -2.989  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.198  -4.484  -4.264  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.129  -3.226  -2.397  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.468  -2.040  -2.409  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.254  -2.227   0.778  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.309  -0.067  -0.310  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.315  -2.872  -0.641  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.102  -2.656  -4.855  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.521  -3.115  -5.094  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.951  -3.030  -4.063  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -3.136  -4.909  -3.935  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.403  -4.818  -3.613  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.994  -4.806  -5.274  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.969  -3.547  -2.995  1.00  1.00           H  
ATOM     28  N   ILE A   1      -6.003  -4.484  -0.330  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.357  -4.630   1.113  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.123  -4.879   1.957  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.171  -4.799   3.185  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.363  -5.779   1.333  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.921  -7.032   0.570  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.757  -5.342   0.901  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.717  -8.274   0.918  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.052  -4.684  -0.452  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.811  -3.715   1.444  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.396  -6.002   2.390  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -7.032  -6.856  -0.490  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.883  -7.232   0.789  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.471  -6.113   1.152  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.767  -5.176  -0.166  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -9.022  -4.428   1.411  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.655  -8.454   1.981  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.313  -9.121   0.384  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.750  -8.130   0.637  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.013  -5.169   1.290  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.779  -5.516   1.974  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.624  -5.625   0.984  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.674  -6.420   0.046  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.963  -6.816   2.734  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.026  -5.149   0.310  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.560  -4.735   2.686  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.842  -6.738   3.362  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.096  -7.003   3.348  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.095  -7.626   2.033  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.581  -4.825   1.216  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.569  -4.610   0.326  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.730  -5.122  -0.886  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.564  -3.728   0.906  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.340  -3.289   2.033  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.582  -4.342   2.069  1.00  1.00           H  
HETATM   63  HB1 DHA A   3      -0.024  -5.765  -1.311  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.616  -4.886  -1.457  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.650  -3.422   0.213  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.585  -2.403   0.663  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.964  -1.498  -0.499  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.594  -1.948  -1.456  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.817  -3.052   1.272  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.828  -3.895  -0.626  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.099  -1.812   1.426  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.352  -3.595   0.507  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.511  -3.735   2.052  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.458  -2.289   1.689  1.00  1.00           H  
ATOM     75  N   SER A   5       3.565  -0.224  -0.413  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.668   0.709  -1.604  1.00  1.00           C  
ATOM     77  C   SER A   5       2.654   0.367  -2.593  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.107   0.724  -2.204  1.00  1.00           C  
ATOM     79  H   SER A   5       3.180   0.099   0.437  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.326  -0.227  -2.660  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.175   1.502  -2.950  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.451   0.844  -2.675  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.754   0.314  -3.702  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.615   0.681  -4.005  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.265   0.231  -4.949  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.478  -0.650  -4.465  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.018  -0.804  -3.805  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.101  -1.189  -5.322  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.116   1.558  -3.137  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.484   2.052  -3.249  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.548   3.558  -3.007  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.553   4.179  -2.633  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.426   1.336  -2.259  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.770   1.801  -2.434  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.992   1.564  -0.815  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.551   1.878  -2.404  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.832   1.847  -4.252  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.395   0.275  -2.463  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.381   1.077  -2.286  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.937   1.356  -0.720  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.548   0.905  -0.165  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.186   2.590  -0.537  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.724   4.137  -3.221  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -4.011   5.565  -3.051  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.522   6.528  -3.826  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.580   6.254  -5.009  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.918   5.898  -1.925  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.456   3.556  -3.517  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.795   7.550  -3.617  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.346   7.185  -5.504  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -3.064   5.587  -5.708  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.670   5.799  -4.648  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.393   4.997  -1.105  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.273   5.594  -0.090  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.186   4.927   1.269  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.162   5.643   2.273  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.919   7.076   0.020  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.417   7.531  -1.643  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.292   5.521  -0.438  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.786   7.647   0.339  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.094   7.223   0.695  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.140   3.597   1.321  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.236   2.881   2.591  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.931   3.014   3.382  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.614   1.377   2.361  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.555   0.733   1.676  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.863   0.686   3.667  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.901   1.350   1.462  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.865   2.183   2.119  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.513  -0.025   1.227  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -6.040   3.088   0.489  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.029   3.349   3.157  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.460  -0.164   2.002  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -5.974   0.731   4.276  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.122  -0.346   3.487  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.676   1.176   4.182  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.671   1.783   0.499  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.385   2.652   1.463  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.215   0.029   0.407  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.029  -0.344   2.120  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -7.735  -0.732   0.990  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.783   2.516   3.039  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.824   2.804   3.951  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.441   2.382   3.838  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.569   2.656   4.662  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.281   3.575   5.063  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.922   3.882   4.866  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.674   3.904   5.892  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.192   1.652   2.752  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.158   1.168   2.466  1.00  1.00           C  
ATOM    151  C   THR A  12       0.754   1.889   1.271  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.200  -0.354   2.234  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.883  -0.775   1.311  1.00  1.00           O  
ATOM    154  CG2 THR A  12       0.004  -1.105   3.531  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.923   1.434   2.137  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.768   1.377   3.331  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.163  -0.624   1.825  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.300  -2.118   3.317  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.754  -0.614   4.124  1.00  1.00           H  
ATOM    160 HG23 THR A  12       0.939  -1.117   4.072  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.887   1.589   0.742  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.179   2.380  -0.303  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.469   2.160  -1.032  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.184   3.366  -0.592  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.072   3.196   0.519  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.228   4.095  -1.388  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.513   2.853  -1.859  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.498   2.508  -0.039  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.665   1.970  -0.118  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.629   2.379   0.927  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.140   0.997  -1.114  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.367   0.068  -0.618  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.040   1.373  -1.585  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.847   1.956   0.975  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.516   2.481   2.027  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.902   2.175   2.316  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.527   2.621   3.277  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.736   3.369   2.835  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.185   3.469   2.179  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.082   3.889   3.716  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.438   1.358   1.405  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.828   0.866   1.374  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.759   1.106   2.287  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.113   0.055   0.201  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.190  -0.117  -0.595  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.844   1.063   0.683  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.531   1.712   3.149  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.750   0.698   2.164  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.335  -0.461   0.037  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.795  -1.279  -1.101  1.00  1.00           C  
HETATM  191  CB  DHA A  17      13.073  -1.608  -2.164  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.173  -1.721  -0.964  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.781  -1.376   0.050  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.986  -0.278   0.746  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      12.053  -1.272  -2.253  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.509  -2.214  -2.945  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.723  -2.467  -1.916  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.653  -2.762  -1.818  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      15.193  -2.713  -2.703  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL        8                                                                  
HETATM    1  O12 QUA A   0       0.590  -1.181  -0.413  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.557  -1.190   0.038  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.738  -1.661  -0.751  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.968  -1.677  -0.169  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.503  -2.062  -2.060  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.994  -2.116  -0.948  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.575  -2.507  -2.835  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.364  -2.130  -0.278  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.856  -2.534  -2.263  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.998  -0.855  -0.423  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.284  -3.231  -0.874  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.338  -2.955  -4.278  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.129  -2.394  -4.801  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.044  -2.981  -3.004  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.254  -4.474  -4.343  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.148  -3.297  -2.400  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.505  -2.031  -2.472  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.240  -2.332   0.776  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.128  -0.665  -1.355  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.307  -3.013  -0.610  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.162  -2.635  -4.896  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.398  -2.992  -4.631  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.002  -3.045  -4.080  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -3.198  -4.901  -4.038  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.472  -4.820  -3.683  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.031  -4.779  -5.355  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.995  -3.617  -2.988  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.938  -4.593  -0.365  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.305  -4.803   1.065  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.070  -4.977   1.928  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.123  -4.818   3.148  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.224  -6.032   1.233  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.625  -7.254   0.524  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.613  -5.722   0.694  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.377  -8.543   0.786  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.976  -4.744  -0.478  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.835  -3.935   1.409  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.314  -6.244   2.289  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.630  -7.081  -0.541  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.607  -7.392   0.856  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.284  -6.535   0.933  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.565  -5.600  -0.378  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.979  -4.811   1.143  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.480  -8.691   1.851  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.830  -9.371   0.360  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.356  -8.488   0.334  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.953  -5.298   1.285  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.713  -5.561   1.994  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.545  -5.677   1.021  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.580  -6.482   0.091  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.857  -6.824   2.824  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.966  -5.358   0.307  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.531  -4.735   2.666  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.933  -7.678   2.167  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.754  -6.752   3.424  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -1.997  -6.935   3.467  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.510  -4.869   1.258  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.642  -4.640   0.373  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.814  -5.151  -0.839  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.619  -3.740   0.954  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.383  -3.300   2.076  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.516  -4.389   2.112  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.071  -5.806  -1.265  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.697  -4.902  -1.408  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.705  -3.421   0.264  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.613  -2.373   0.704  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.981  -1.481  -0.473  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.610  -1.940  -1.426  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.854  -2.983   1.335  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.903  -3.905  -0.565  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.107  -1.779   1.451  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.392  -3.553   0.593  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.558  -3.635   2.144  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.487  -2.197   1.718  1.00  1.00           H  
ATOM     75  N   SER A   5       3.572  -0.208  -0.404  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.663   0.709  -1.607  1.00  1.00           C  
ATOM     77  C   SER A   5       2.639   0.360  -2.583  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.095   0.722  -2.217  1.00  1.00           C  
ATOM     79  H   SER A   5       3.191   0.123   0.445  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.310  -0.231  -2.672  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.161   1.498  -2.965  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.437   0.837  -2.653  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.726   0.302  -3.668  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.646   0.674  -3.952  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.312   0.230  -4.887  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.440  -0.664  -4.438  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       2.989  -0.817  -3.795  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.053  -1.207  -5.287  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.128   1.547  -3.071  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.496   2.050  -3.150  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.536   3.556  -2.910  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.540   4.156  -2.505  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.415   1.349  -2.128  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.747   1.868  -2.226  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.900   1.535  -0.706  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.547   1.862  -2.346  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.872   1.842  -4.142  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.433   0.293  -2.351  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.264   1.312  -2.813  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.440   0.880  -0.039  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.046   2.560  -0.400  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -1.847   1.296  -0.670  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.691   4.164  -3.163  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.940   5.602  -3.012  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.393   6.543  -3.775  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.419   6.231  -4.922  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.875   5.973  -1.922  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.431   3.603  -3.477  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.641   7.576  -3.583  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.538   5.748  -4.525  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.135   7.150  -5.413  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.899   5.576  -5.633  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.426   5.093  -1.126  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.316   5.733  -0.145  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.329   5.056   1.211  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.562   5.746   2.205  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.883   7.189  -0.006  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.303   7.629  -1.646  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.319   5.722  -0.540  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.726   7.806   0.292  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.073   7.283   0.696  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.094   3.747   1.274  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.251   3.009   2.526  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.957   3.064   3.345  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.697   1.531   2.253  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.645   0.839   1.606  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -7.044   0.837   3.535  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.941   1.589   1.296  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.887   2.463   1.926  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.617   0.255   1.008  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.809   3.270   0.467  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.033   3.503   3.085  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.653   1.047   0.669  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -6.183   0.831   4.187  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.343  -0.179   3.327  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.856   1.359   4.018  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.644   2.025   0.354  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -8.855   3.326   1.507  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.197  -0.047   1.867  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -7.867  -0.492   0.802  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.267   0.359   0.151  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.816   2.554   2.997  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.866   2.771   3.941  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.490   2.319   3.834  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.634   2.522   4.696  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.327   3.498   5.082  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.955   3.857   4.870  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.728   3.770   5.939  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.224   1.657   2.708  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.129   1.169   2.425  1.00  1.00           C  
ATOM    151  C   THR A  12       0.741   1.902   1.244  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.172  -0.351   2.180  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.909  -0.772   1.254  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.020  -1.117   3.470  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.942   1.496   2.060  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.731   1.370   3.298  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.137  -0.615   1.767  1.00  1.00           H  
ATOM    158 HG21 THR A  12       0.918  -1.146   4.003  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.341  -2.123   3.246  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.765  -0.624   4.075  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.869   1.592   0.711  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.180   2.397  -0.318  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.467   2.168  -1.051  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.202   3.406  -0.591  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.059   3.239   0.515  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.263   4.149  -1.373  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.506   2.850  -1.888  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.505   2.529  -0.071  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.669   1.984  -0.149  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.643   2.409   0.880  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.133   0.994  -1.132  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.349   0.067  -0.624  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.035   1.353  -1.608  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.843   1.940   0.961  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.526   2.493   1.989  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.895   2.146   2.310  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.538   2.642   3.234  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.778   3.455   2.741  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.237   3.582   2.069  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.140   4.007   3.596  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.388   1.212   1.492  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.742   0.629   1.539  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.715   0.990   2.364  1.00  1.00           C  
HETATM  184  C   DHA A  16      11.938  -0.431   0.562  1.00  1.00           C  
HETATM  185  O   DHA A  16      10.981  -0.703  -0.162  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.782   0.880   0.796  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.554   1.776   3.083  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.674   0.495   2.316  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.121  -1.048   0.487  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.475  -2.152  -0.425  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.647  -2.770  -1.255  1.00  1.00           C  
HETATM  192  C   DHA A  17      14.876  -2.533  -0.340  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.585  -1.914   0.453  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.820  -0.728   1.093  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.611  -2.477  -1.309  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.011  -3.569  -1.884  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.340  -3.513  -1.107  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.285  -3.765  -1.048  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.731  -3.973  -1.723  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL        9                                                                  
HETATM    1  O12 QUA A   0       0.605  -1.157  -0.423  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.540  -1.180   0.031  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.720  -1.659  -0.758  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.956  -1.657  -0.190  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.474  -2.088  -2.055  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.978  -2.106  -0.971  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.539  -2.542  -2.833  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.357  -2.096  -0.317  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.826  -2.550  -2.276  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.973  -0.815  -0.489  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.290  -3.192  -0.907  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.286  -3.016  -4.262  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.078  -2.452  -4.788  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.008  -3.009  -3.023  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.184  -4.535  -4.298  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.125  -3.299  -2.428  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.471  -2.069  -2.458  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.249  -2.282   0.742  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.947  -0.569  -1.417  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.313  -2.941  -0.673  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.107  -2.719  -4.895  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.550  -3.144  -5.190  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.950  -3.103  -4.095  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -3.094  -4.967  -3.909  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.348  -4.853  -3.693  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.036  -4.862  -5.316  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.963  -3.630  -3.023  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.991  -4.546  -0.354  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.373  -4.699   1.082  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.151  -4.914   1.954  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.217  -4.790   3.177  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.356  -5.872   1.284  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.828  -7.140   0.600  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.731  -5.502   0.745  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.637  -8.383   0.907  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.036  -4.734  -0.456  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.857  -3.794   1.400  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.450  -6.054   2.344  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.840  -6.997  -0.469  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.812  -7.319   0.922  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.043  -4.560   1.171  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.442  -6.269   1.013  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.685  -5.412  -0.330  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.727  -8.499   1.977  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.141  -9.247   0.492  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.621  -8.290   0.471  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.031  -5.230   1.314  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.802  -5.533   2.028  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.633  -5.656   1.060  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.650  -6.494   0.158  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.978  -6.811   2.830  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.033  -5.261   0.335  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.606  -4.726   2.718  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.886  -6.740   3.413  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.135  -6.944   3.489  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.050  -7.650   2.156  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.617  -4.817   1.264  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.522  -4.591   0.362  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.660  -5.086  -0.860  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.531  -3.723   0.937  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.332  -3.302   2.074  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.625  -4.314   2.105  1.00  1.00           H  
HETATM   63  HB1 DHA A   3      -0.104  -5.719  -1.281  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.538  -4.846  -1.442  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.601  -3.406   0.224  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.549  -2.397   0.669  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.939  -1.501  -0.498  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.552  -1.968  -1.457  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.772  -3.059   1.280  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.760  -3.863  -0.627  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.070  -1.795   1.430  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.286  -3.631   0.523  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.459  -3.717   2.079  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.434  -2.302   1.674  1.00  1.00           H  
ATOM     75  N   SER A   5       3.568  -0.218  -0.413  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.672   0.702  -1.612  1.00  1.00           C  
ATOM     77  C   SER A   5       2.651   0.358  -2.593  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.109   0.706  -2.211  1.00  1.00           C  
ATOM     79  H   SER A   5       3.203   0.117   0.440  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.324  -0.249  -2.663  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.186   1.482  -2.959  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.446   0.827  -2.651  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.736   0.304  -3.670  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.641   0.669  -3.940  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.314   0.225  -4.870  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.452  -0.646  -4.457  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.005  -0.797  -3.823  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.065  -1.178  -5.312  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.117   1.542  -3.054  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.488   2.040  -3.119  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.528   3.551  -2.911  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.526   4.164  -2.545  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.384   1.360  -2.064  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.716   1.883  -2.140  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.835   1.566  -0.659  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.530   1.859  -2.337  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.882   1.811  -4.098  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.412   0.301  -2.270  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.785   2.664  -1.587  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.782   1.327  -0.645  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.359   0.921   0.030  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -2.975   2.596  -0.363  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.693   4.148  -3.145  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.953   5.583  -2.997  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.424   6.527  -3.773  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.464   6.219  -4.933  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.875   5.949  -1.894  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.435   3.577  -3.439  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.680   7.557  -3.582  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.230   7.133  -5.458  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.932   5.523  -5.614  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.555   5.784  -4.543  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.433   5.063  -1.111  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.308   5.697  -0.111  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.312   4.998   1.234  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.516   5.675   2.243  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.859   7.147   0.048  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.275   7.606  -1.587  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.315   5.701  -0.495  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.695   7.766   0.355  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.047   7.220   0.750  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.098   3.684   1.271  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.227   2.932   2.515  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.933   3.023   3.329  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.627   1.442   2.235  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.571   0.802   1.542  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.906   0.715   3.514  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.902   1.466   1.320  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.847   2.322   1.976  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.555   0.113   1.065  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.849   3.214   0.448  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.021   3.395   3.083  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.056   0.277   2.159  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.129  -0.319   3.300  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.750   1.171   4.010  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -6.041   0.766   4.158  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.648   1.899   0.365  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -8.660   3.237   1.752  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.201   0.182   0.202  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.139  -0.172   1.928  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -7.793  -0.629   0.887  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.787   2.518   2.989  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.837   2.768   3.923  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.458   2.330   3.819  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.596   2.567   4.667  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.302   3.515   5.049  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.936   3.851   4.835  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.703   3.814   5.897  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.198   1.634   2.713  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.153   1.152   2.431  1.00  1.00           C  
ATOM    151  C   THR A  12       0.760   1.887   1.250  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.192  -0.369   2.184  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.890  -0.780   1.255  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.010  -1.135   3.473  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.921   1.442   2.082  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.755   1.349   3.305  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.157  -0.636   1.774  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.730  -0.621   4.090  1.00  1.00           H  
ATOM    159 HG22 THR A  12       0.936  -1.198   3.993  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.365  -2.128   3.248  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.887   1.578   0.710  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.192   2.387  -0.317  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.475   2.161  -1.057  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.213   3.398  -0.581  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.043   3.227   0.531  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.270   4.144  -1.361  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.504   2.841  -1.897  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.514   2.532  -0.085  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.675   1.983  -0.149  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.645   2.431   0.872  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.139   0.975  -1.117  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.336   0.051  -0.596  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.052   1.318  -1.585  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.847   1.968   0.974  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.520   2.551   1.992  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.889   2.220   2.335  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.520   2.746   3.250  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.765   3.530   2.714  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.230   3.634   2.027  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.119   4.104   3.555  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.393   1.264   1.551  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.756   0.702   1.623  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.725   1.113   2.429  1.00  1.00           C  
HETATM  184  C   DHA A  16      11.966  -0.396   0.693  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.015  -0.714  -0.020  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.795   0.900   0.866  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.554   1.928   3.113  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.690   0.630   2.402  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.156  -1.002   0.653  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.542  -2.119  -0.228  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.767  -2.702  -1.133  1.00  1.00           C  
HETATM  192  C   DHA A  17      14.910  -2.560  -0.015  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.568  -1.973   0.845  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.837  -0.667   1.272  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.754  -2.364  -1.278  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.153  -3.516  -1.726  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.401  -3.562  -0.738  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.323  -3.854  -0.589  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.833  -3.993  -1.409  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       10                                                                  
HETATM    1  O12 QUA A   0       0.587  -1.154  -0.417  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.555  -1.173   0.042  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.740  -1.649  -0.742  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.963  -1.691  -0.151  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.511  -2.029  -2.058  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.993  -2.133  -0.928  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.583  -2.476  -2.829  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.356  -2.173  -0.244  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.859  -2.529  -2.249  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.987  -0.892  -0.334  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.295  -3.247  -0.865  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.353  -2.899  -4.281  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.142  -2.333  -4.796  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.045  -2.982  -2.990  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.276  -4.416  -4.376  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.147  -3.307  -2.390  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.518  -1.977  -2.478  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.221  -2.413   0.802  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.752  -0.951  -0.911  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.315  -3.003  -0.612  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.176  -2.562  -4.891  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -1.191  -2.288  -5.754  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.000  -3.043  -4.067  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -3.177  -4.851  -3.973  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.423  -4.770  -3.815  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.169  -4.706  -5.412  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.989  -3.630  -2.984  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.997  -4.622  -0.361  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.358  -4.815   1.074  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.130  -5.116   1.912  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.193  -5.129   3.142  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.390  -5.952   1.248  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.917  -7.225   0.535  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.748  -5.511   0.721  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.784  -8.436   0.807  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.044  -4.811  -0.484  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.796  -3.904   1.436  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.490  -6.155   2.304  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.916  -7.054  -0.531  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.912  -7.459   0.856  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.035  -4.583   1.195  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.485  -6.269   0.942  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.691  -5.366  -0.348  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.885  -8.574   1.873  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.327  -9.312   0.372  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.760  -8.286   0.369  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.010  -5.349   1.237  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.780  -5.740   1.907  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.616  -5.778   0.923  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.630  -6.554  -0.033  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.969  -7.092   2.572  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.011  -5.255   0.262  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.569  -5.011   2.676  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.860  -7.064   3.183  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.113  -7.314   3.189  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.079  -7.851   1.814  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.609  -4.941   1.177  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.549  -4.676   0.307  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.741  -5.167  -0.909  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.509  -3.769   0.909  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.258  -3.347   2.036  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.642  -4.462   2.032  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.013  -5.826  -1.352  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.626  -4.895  -1.466  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.598  -3.430   0.233  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.503  -2.390   0.701  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.915  -1.502  -0.465  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.528  -1.979  -1.419  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.721  -3.010   1.366  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.802  -3.894  -0.606  1.00  1.00           H  
ATOM     71  HA  ALA A   4       2.981  -1.791   1.434  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.271  -3.591   0.641  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.399  -3.652   2.173  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.354  -2.228   1.758  1.00  1.00           H  
ATOM     75  N   SER A   5       3.565  -0.213  -0.384  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.687   0.700  -1.586  1.00  1.00           C  
ATOM     77  C   SER A   5       2.672   0.361  -2.573  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.127   0.687  -2.176  1.00  1.00           C  
ATOM     79  H   SER A   5       3.206   0.131   0.468  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.336  -0.273  -2.619  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.217   1.456  -2.929  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.472   0.842  -2.644  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.765   0.320  -3.666  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.604   0.699  -3.952  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.264   0.274  -4.901  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.480  -0.642  -4.442  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.025  -0.805  -3.793  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.094  -1.176  -5.298  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.094   1.552  -3.054  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.464   2.048  -3.130  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.515   3.555  -2.898  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.530   4.162  -2.476  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.377   1.346  -2.103  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.717   1.835  -2.223  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.880   1.566  -0.679  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.518   1.855  -2.322  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.842   1.834  -4.119  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.372   0.285  -2.309  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.262   1.453  -1.531  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.056   2.591  -0.389  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.822   1.354  -0.631  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.409   0.907  -0.008  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.669   4.152  -3.176  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.943   5.585  -3.019  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.404   6.541  -3.771  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.413   6.255  -4.911  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.895   5.929  -1.935  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.392   3.584  -3.513  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.672   7.568  -3.575  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.114   7.186  -5.370  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.886   5.626  -5.650  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.542   5.752  -4.514  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.405   5.036  -1.129  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.326   5.640  -0.155  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.283   4.989   1.214  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.398   5.709   2.207  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.988   7.125  -0.047  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.402   7.567  -1.686  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.330   5.554  -0.539  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.874   7.694   0.218  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.200   7.288   0.668  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.125   3.668   1.288  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.236   2.961   2.561  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.928   3.070   3.349  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.653   1.466   2.340  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.623   0.796   1.635  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.897   0.782   3.650  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.958   1.471   1.465  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.891   2.325   2.142  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.606   0.111   1.239  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.929   3.162   0.472  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.017   3.452   3.124  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.400  -0.018   2.093  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.702   1.278   4.171  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -6.001   0.821   4.252  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.165  -0.249   3.476  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.737   1.900   0.498  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.702   2.380   1.633  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.091  -0.212   2.149  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -7.851  -0.608   0.961  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.338   0.187   0.449  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.786   2.559   3.000  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.822   2.829   3.914  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.443   2.392   3.799  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.571   2.652   4.630  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.268   3.597   5.031  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.905   3.927   4.839  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.654   3.912   5.861  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.194   1.668   2.710  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.154   1.173   2.431  1.00  1.00           C  
ATOM    151  C   THR A  12       0.770   1.905   1.253  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.184  -0.348   2.187  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.901  -0.761   1.263  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.020  -1.109   3.479  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.922   1.466   2.085  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.755   1.369   3.306  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.146  -0.623   1.777  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.733  -0.584   4.098  1.00  1.00           H  
ATOM    159 HG22 THR A  12       0.926  -1.183   3.995  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.389  -2.098   3.258  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.897   1.591   0.719  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.212   2.397  -0.307  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.497   2.163  -1.041  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.238   3.411  -0.578  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.024   3.246   0.527  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.302   4.156  -1.358  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.531   2.838  -1.884  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.538   2.537  -0.069  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.696   1.977  -0.126  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.671   2.425   0.891  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.152   0.954  -1.079  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.332   0.032  -0.547  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.073   1.277  -1.544  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.875   1.968   0.977  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.557   2.546   1.991  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.931   2.219   2.314  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.570   2.736   3.229  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.805   3.516   2.727  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.261   3.618   2.057  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.165   4.087   3.569  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.431   1.276   1.511  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.810   0.752   1.529  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.812   1.225   2.258  1.00  1.00           C  
HETATM  184  C   DHA A  16      11.996  -0.385   0.642  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.013  -0.762   0.006  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.814   0.892   0.853  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.657   2.068   2.911  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.786   0.764   2.198  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.200  -0.959   0.550  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.553  -2.125  -0.281  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.712  -2.843  -1.011  1.00  1.00           C  
HETATM  192  C   DHA A  17      14.971  -2.444  -0.239  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.693  -1.733   0.461  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.917  -0.558   1.084  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.664  -2.594  -1.032  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.078  -3.680  -1.586  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.436  -3.472  -0.940  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.392  -3.684  -0.908  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.816  -4.006  -1.480  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       11                                                                  
HETATM    1  O12 QUA A   0       0.585  -1.196  -0.402  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.562  -1.204   0.045  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.740  -1.676  -0.749  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.979  -1.664  -0.187  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.490  -2.110  -2.044  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.000  -2.109  -0.973  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.553  -2.559  -2.826  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.382  -2.089  -0.329  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.844  -2.558  -2.276  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.998  -0.812  -0.524  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.307  -3.194  -0.914  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.297  -3.041  -4.253  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.085  -2.482  -4.775  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.025  -3.011  -3.027  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.202  -4.560  -4.279  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.143  -3.300  -2.433  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.485  -2.098  -2.440  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.282  -2.260   0.733  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.325  -0.128  -0.523  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.332  -2.952  -0.676  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.115  -2.741  -4.888  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.471  -3.189  -4.985  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.964  -3.102  -4.100  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.412  -4.882  -3.616  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.984  -4.888  -5.285  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -3.140  -4.985  -3.956  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.982  -3.626  -3.029  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.995  -4.546  -0.358  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.346  -4.688   1.085  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.105  -4.867   1.937  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.146  -4.697   3.156  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.304  -5.875   1.320  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.761  -7.145   0.654  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.692  -5.538   0.789  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.532  -8.398   1.013  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.041  -4.732  -0.479  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.842  -3.788   1.400  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.383  -6.039   2.384  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.806  -7.029  -0.418  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.734  -7.292   0.952  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.382  -6.322   1.061  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.653  -5.449  -0.286  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -9.022  -4.604   1.216  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.584  -8.494   2.088  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.030  -9.261   0.600  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.532  -8.336   0.609  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.998  -5.204   1.288  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.753  -5.465   1.990  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.594  -5.597   1.009  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.652  -6.393   0.072  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.895  -6.718   2.834  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.020  -5.278   0.312  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.560  -4.631   2.651  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.040  -6.815   3.484  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.960  -7.579   2.188  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.796  -6.643   3.428  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.540  -4.815   1.247  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.609  -4.605   0.357  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.765  -5.118  -0.856  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.606  -3.725   0.934  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.382  -3.283   2.059  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.531  -4.342   2.105  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.006  -5.757  -1.278  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.650  -4.885  -1.430  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.692  -3.422   0.242  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.617  -2.388   0.681  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.980  -1.486  -0.489  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.606  -1.938  -1.448  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.859  -3.018   1.288  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.879  -3.906  -0.590  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.127  -1.797   1.442  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.401  -3.553   0.524  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.565  -3.704   2.071  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.488  -2.245   1.706  1.00  1.00           H  
ATOM     75  N   SER A   5       3.571  -0.215  -0.407  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.660   0.712  -1.603  1.00  1.00           C  
ATOM     77  C   SER A   5       2.638   0.364  -2.582  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.093   0.735  -2.211  1.00  1.00           C  
ATOM     79  H   SER A   5       3.189   0.107   0.444  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.316  -0.217  -2.668  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.155   1.512  -2.959  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.432   0.832  -2.644  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.723   0.304  -3.663  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.653   0.667  -3.938  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.320   0.225  -4.875  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.444  -0.647  -4.447  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       2.996  -0.793  -3.809  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.059  -1.183  -5.302  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.138   1.532  -3.049  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.506   2.032  -3.122  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.544   3.543  -2.906  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.543   4.148  -2.523  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.415   1.348  -2.080  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.747   1.868  -2.171  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.883   1.549  -0.668  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.557   1.842  -2.323  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.893   1.810  -4.107  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.439   0.289  -2.291  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.095   2.015  -1.288  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.434   0.922   0.017  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.001   2.583  -0.381  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -1.837   1.284  -0.634  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.703   4.148  -3.153  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.949   5.586  -3.015  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.421   6.517  -3.807  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.479   6.188  -4.974  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.855   5.972  -1.906  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.446   3.582  -3.450  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.665   7.551  -3.623  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.220   7.097  -5.496  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.971   5.510  -5.655  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.581   5.724  -4.592  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.420   5.098  -1.116  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.273   5.746  -0.108  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.276   5.045   1.236  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.446   5.724   2.248  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.798   7.189   0.046  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.221   7.635  -1.596  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.284   5.768  -0.482  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.620   7.824   0.361  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -4.978   7.249   0.740  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.097   3.725   1.263  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.239   2.968   2.503  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.948   3.043   3.323  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.648   1.483   2.210  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.582   0.830   1.545  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.968   0.758   3.481  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.899   1.522   1.262  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.862   2.366   1.907  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.544   0.174   0.965  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.865   3.254   0.436  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.033   3.434   3.069  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.336   0.040   2.031  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -6.110   0.776   4.135  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.226  -0.267   3.259  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.801   1.241   3.970  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.620   1.974   0.323  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.220   1.913   2.675  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.077   0.229   0.027  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.235  -0.075   1.756  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -7.781  -0.585   0.902  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.805   2.530   2.987  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.857   2.768   3.927  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.482   2.319   3.829  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.623   2.545   4.682  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.320   3.516   5.053  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.950   3.867   4.833  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.722   3.807   5.903  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.221   1.625   2.722  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.128   1.139   2.441  1.00  1.00           C  
ATOM    151  C   THR A  12       0.736   1.876   1.261  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.167  -0.380   2.193  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.914  -0.793   1.264  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.031  -1.146   3.482  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.944   1.438   2.087  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.731   1.336   3.315  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.131  -0.648   1.782  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.780  -0.654   4.083  1.00  1.00           H  
ATOM    159 HG22 THR A  12       0.905  -1.178   4.018  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.351  -2.152   3.256  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.866   1.574   0.727  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.169   2.383  -0.300  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.456   2.165  -1.035  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.185   3.386  -0.570  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.073   3.208   0.536  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.239   4.130  -1.350  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.491   2.853  -1.869  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.491   2.526  -0.053  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.659   1.992  -0.135  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.630   2.417   0.895  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.131   1.013  -1.127  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.357   0.085  -0.624  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.028   1.384  -1.602  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.844   1.982   0.951  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.521   2.527   1.987  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.904   2.212   2.280  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.543   2.692   3.215  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.755   3.445   2.774  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.204   3.545   2.121  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.111   3.983   3.640  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.413   1.329   1.417  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.791   0.805   1.407  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.768   1.164   2.228  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.007  -0.194   0.371  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.045  -0.468  -0.345  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.806   0.998   0.723  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.591   1.904   2.992  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.745   0.713   2.134  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.212  -0.753   0.234  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.589  -1.787  -0.748  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.765  -2.399  -1.587  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.008  -2.100  -0.726  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.711  -1.491   0.079  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.913  -0.438   0.841  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.714  -2.156  -1.591  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.146  -3.145  -2.269  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.492  -3.015  -1.560  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.450  -3.223  -1.542  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.887  -3.470  -2.181  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       12                                                                  
HETATM    1  O12 QUA A   0       0.584  -1.141  -0.392  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.558  -1.165   0.068  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.744  -1.628  -0.722  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.970  -1.668  -0.133  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.514  -1.998  -2.042  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.000  -2.096  -0.916  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.588  -2.432  -2.820  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.367  -2.136  -0.238  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.865  -2.482  -2.241  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -6.002  -0.856  -0.334  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.296  -3.214  -0.865  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.358  -2.844  -4.275  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.131  -2.300  -4.778  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.054  -2.920  -2.988  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.314  -4.361  -4.389  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.156  -3.250  -2.390  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.520  -1.948  -2.459  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.237  -2.375   0.809  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.363  -0.202  -0.626  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.317  -2.992  -0.600  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.170  -2.482  -4.886  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -1.104  -2.400  -5.732  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.013  -2.965  -4.066  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.534  -4.748  -3.751  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -2.112  -4.640  -5.413  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -3.266  -4.774  -4.086  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.002  -3.563  -2.985  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.967  -4.590  -0.384  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.359  -4.834   1.034  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.140  -5.100   1.898  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.218  -5.066   3.127  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.338  -6.023   1.151  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.813  -7.228   0.360  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.721  -5.615   0.661  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.626  -8.491   0.560  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.006  -4.745  -0.486  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.849  -3.954   1.406  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.418  -6.292   2.194  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.828  -6.992  -0.693  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.798  -7.436   0.663  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.692  -5.458  -0.407  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.021  -4.701   1.151  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -9.430  -6.396   0.890  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.109  -9.325   0.111  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.593  -8.374   0.095  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.755  -8.672   1.617  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.012  -5.355   1.246  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.786  -5.699   1.947  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.609  -5.767   0.980  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.603  -6.580   0.056  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.965  -7.019   2.675  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.005  -5.311   0.268  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.593  -4.932   2.683  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.071  -7.814   1.953  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.855  -6.969   3.286  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.107  -7.209   3.300  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.612  -4.913   1.215  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.542  -4.657   0.339  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.720  -5.146  -0.880  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.514  -3.763   0.938  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.273  -3.342   2.068  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.649  -4.418   2.060  1.00  1.00           H  
HETATM   63  HB1 DHA A   3      -0.018  -5.796  -1.319  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.604  -4.881  -1.442  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.603  -3.432   0.259  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.513  -2.395   0.721  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.923  -1.508  -0.445  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.551  -1.982  -1.392  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.729  -3.021   1.385  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.801  -3.901  -0.579  1.00  1.00           H  
ATOM     71  HA  ALA A   4       2.995  -1.794   1.455  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       4.405  -3.672   2.184  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.360  -2.242   1.787  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.283  -3.593   0.656  1.00  1.00           H  
ATOM     75  N   SER A   5       3.552  -0.224  -0.375  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.678   0.689  -1.579  1.00  1.00           C  
ATOM     77  C   SER A   5       2.670   0.348  -2.573  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.121   0.681  -2.162  1.00  1.00           C  
ATOM     79  H   SER A   5       3.177   0.117   0.470  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.334  -0.279  -2.604  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.208   1.448  -2.917  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.476   0.840  -2.668  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.780   0.312  -3.695  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.582   0.698  -4.009  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.232   0.261  -4.960  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.497  -0.664  -4.450  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.030  -0.834  -3.776  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.120  -1.205  -5.305  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.079   1.574  -3.139  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.447   2.069  -3.244  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.508   3.572  -2.997  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.511   4.192  -2.621  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.385   1.351  -2.250  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.728   1.820  -2.415  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.941   1.573  -0.809  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.510   1.895  -2.408  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.799   1.866  -4.245  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.357   0.291  -2.458  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.226   1.660  -1.611  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.499   0.918  -0.155  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.126   2.600  -0.528  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -1.887   1.359  -0.720  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.683   4.154  -3.213  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.971   5.580  -3.036  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.463   6.550  -3.792  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.499   6.287  -4.959  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.899   5.904  -1.925  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.415   3.575  -3.516  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.740   7.571  -3.579  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.252   7.222  -5.440  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.969   5.628  -5.674  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.597   5.824  -4.584  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.376   4.999  -1.112  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.283   5.588  -0.113  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.206   4.933   1.253  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.223   5.657   2.249  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.956   7.074  -0.004  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.424   7.532  -1.658  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.295   5.496  -0.477  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.838   7.632   0.292  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.149   7.239   0.688  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.127   3.605   1.320  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.227   2.906   2.600  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.919   3.037   3.382  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.622   1.402   2.397  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.542   0.714   1.794  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.958   0.763   3.710  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.856   1.366   1.429  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.819   2.279   1.975  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.514   0.003   1.250  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.996   3.088   0.498  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.013   3.390   3.161  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.465   0.981   0.875  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.832   1.240   4.129  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -6.127   0.876   4.390  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.158  -0.287   3.561  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.557   1.724   0.456  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -8.901   3.042   1.398  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -7.751  -0.755   1.160  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.121   0.011   0.358  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.134  -0.212   2.107  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.776   2.529   3.039  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.810   2.820   3.943  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.431   2.389   3.828  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.556   2.660   4.651  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.258   3.604   5.050  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.899   3.920   4.858  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.644   3.937   5.873  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.188   1.658   2.742  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.157   1.164   2.457  1.00  1.00           C  
ATOM    151  C   THR A  12       0.765   1.890   1.270  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.186  -0.358   2.220  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.900  -0.772   1.296  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.019  -1.109   3.517  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.920   1.450   2.125  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.764   1.363   3.327  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.148  -0.636   1.811  1.00  1.00           H  
ATOM    158 HG21 THR A  12       0.921  -1.153   4.048  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.361  -2.110   3.303  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.750  -0.594   4.121  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.893   1.580   0.736  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.198   2.381  -0.297  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.482   2.152  -1.033  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.217   3.386  -0.574  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.041   3.221   0.536  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.273   4.126  -1.359  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.511   2.826  -1.877  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.522   2.534  -0.061  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.681   1.977  -0.116  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.657   2.430   0.897  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.141   0.952  -1.063  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.321   0.033  -0.529  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.063   1.277  -1.527  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.861   1.973   0.976  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.549   2.551   1.984  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.925   2.219   2.293  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.578   2.734   3.200  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.802   3.521   2.727  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.254   3.623   2.067  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.169   4.093   3.567  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.408   1.274   1.484  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.765   0.700   1.517  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.768   1.120   2.275  1.00  1.00           C  
HETATM  184  C   DHA A  16      11.924  -0.425   0.608  1.00  1.00           C  
HETATM  185  O   DHA A  16      10.940  -0.747  -0.055  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.791   0.923   0.808  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.630   1.955   2.944  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.726   0.626   2.224  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.099  -1.057   0.540  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.425  -2.204  -0.327  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.633  -2.732  -1.251  1.00  1.00           C  
HETATM  192  C   DHA A  17      14.749  -2.747  -0.076  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.426  -2.208   0.801  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.808  -0.728   1.130  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.652  -2.320  -1.425  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      12.972  -3.577  -1.830  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.180  -3.785  -0.782  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.074  -4.148  -0.609  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.600  -4.177  -1.468  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       13                                                                  
HETATM    1  O12 QUA A   0       0.613  -1.168  -0.394  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.534  -1.169   0.055  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.717  -1.631  -0.739  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.954  -1.613  -0.173  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.473  -2.061  -2.036  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.980  -2.047  -0.958  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.543  -2.499  -2.817  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.359  -2.018  -0.306  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.832  -2.492  -2.263  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.952  -0.726  -0.471  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.312  -3.094  -0.903  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.293  -2.976  -4.248  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.072  -2.432  -4.767  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.017  -2.932  -3.013  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.219  -4.496  -4.282  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.140  -3.204  -2.423  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.469  -2.054  -2.436  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.256  -2.212   0.752  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.343  -0.662  -1.346  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.330  -2.822  -0.673  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.106  -2.662  -4.881  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.330  -2.766  -4.259  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.957  -3.028  -4.086  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.041  -4.825  -5.295  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -3.151  -4.910  -3.926  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.411  -4.830  -3.647  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.982  -3.522  -3.021  1.00  1.00           H  
ATOM     28  N   ILE A   1      -6.047  -4.457  -0.350  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.403  -4.593   1.092  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.172  -4.858   1.937  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.218  -4.779   3.164  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.433  -5.721   1.315  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.983  -7.010   0.615  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.801  -5.281   0.810  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.819  -8.221   0.970  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.101  -4.677  -0.473  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.838  -3.668   1.420  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.511  -5.902   2.377  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -7.043  -6.870  -0.454  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.959  -7.223   0.887  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.760  -5.141  -0.261  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.077  -4.351   1.283  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -9.534  -6.037   1.046  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -8.829  -8.081   0.614  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.831  -8.350   2.043  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.395  -9.101   0.507  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.067  -5.164   1.269  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.834  -5.517   1.952  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.679  -5.621   0.965  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.740  -6.391   0.007  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -3.025  -6.822   2.702  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.082  -5.152   0.289  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.615  -4.741   2.672  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.173  -7.623   1.995  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.897  -6.741   3.338  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.155  -7.025   3.306  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.626  -4.841   1.218  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.532  -4.622   0.338  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.697  -5.124  -0.878  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.524  -3.745   0.928  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.294  -3.312   2.055  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.624  -4.375   2.080  1.00  1.00           H  
HETATM   63  HB1 DHA A   3      -0.057  -5.761  -1.312  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.586  -4.885  -1.443  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.616  -3.440   0.245  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.540  -2.408   0.697  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.936  -1.521  -0.473  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.545  -1.995  -1.432  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.763  -3.040   1.339  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.810  -3.920  -0.586  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.037  -1.806   1.440  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.404  -2.266   1.734  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.303  -3.614   0.600  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       4.449  -3.692   2.142  1.00  1.00           H  
ATOM     75  N   SER A   5       3.574  -0.235  -0.394  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.691   0.681  -1.595  1.00  1.00           C  
ATOM     77  C   SER A   5       2.671   0.347  -2.581  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.130   0.672  -2.191  1.00  1.00           C  
ATOM     79  H   SER A   5       3.212   0.106   0.458  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.340  -0.290  -2.630  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.211   1.436  -2.950  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.470   0.828  -2.648  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.760   0.310  -3.671  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.611   0.688  -3.955  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.279   0.244  -4.889  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.474  -0.648  -4.453  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.021  -0.813  -3.808  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.087  -1.179  -5.311  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.089   1.572  -3.082  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.465   2.058  -3.153  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.534   3.565  -2.921  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.553   4.188  -2.513  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.371   1.345  -2.128  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.717   1.819  -2.248  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.880   1.571  -0.702  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.502   1.906  -2.371  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.841   1.843  -4.143  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.353   0.285  -2.333  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.776   2.708  -1.890  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.060   2.597  -0.418  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.821   1.363  -0.650  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.410   0.913  -0.031  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.703   4.143  -3.184  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -4.005   5.568  -3.013  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.501   6.541  -3.768  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.526   6.283  -4.926  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.947   5.887  -1.914  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.418   3.563  -3.520  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.790   7.560  -3.560  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.984   5.618  -5.642  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.622   5.833  -4.544  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.284   7.220  -5.408  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.438   4.977  -1.115  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.354   5.557  -0.122  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.285   4.889   1.238  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.359   5.598   2.242  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -6.031   7.045   0.004  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.468   7.514  -1.636  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.362   5.466  -0.494  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.920   7.598   0.287  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.238   7.204   0.713  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.146   3.565   1.289  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.238   2.843   2.555  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.937   2.989   3.347  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.595   1.333   2.324  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.491   0.683   1.720  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.927   0.663   3.620  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.818   1.285   1.341  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.798   2.181   1.882  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.455  -0.085   1.150  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.977   3.067   0.462  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.037   3.300   3.122  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.067   1.281   1.102  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.081  -0.393   3.452  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.827   1.096   4.030  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -6.113   0.797   4.317  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.512   1.652   0.373  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.403   1.692   2.443  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -7.684  -0.837   1.090  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.032  -0.088   0.236  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.105  -0.300   1.985  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.786   2.497   3.007  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.828   2.797   3.917  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.442   2.382   3.805  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.573   2.659   4.633  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.291   3.569   5.025  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.935   3.864   4.827  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.686   3.907   5.852  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.185   1.661   2.715  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.166   1.172   2.440  1.00  1.00           C  
ATOM    151  C   THR A  12       0.780   1.897   1.255  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.201  -0.349   2.203  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.882  -0.763   1.276  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.005  -1.102   3.497  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.909   1.455   2.088  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.766   1.374   3.314  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.164  -0.623   1.796  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.729  -0.583   4.106  1.00  1.00           H  
ATOM    159 HG22 THR A  12       0.937  -1.158   4.022  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.358  -2.098   3.281  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.906   1.581   0.723  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.218   2.380  -0.311  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.504   2.143  -1.043  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.244   3.391  -0.588  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.017   3.232   0.521  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.304   4.130  -1.373  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.543   2.821  -1.883  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.542   2.508  -0.067  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.703   1.957  -0.133  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.674   2.397   0.891  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.165   0.950  -1.102  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.369   0.028  -0.580  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.073   1.295  -1.576  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.890   1.964   0.961  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.560   2.531   1.990  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.943   2.228   2.302  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.568   2.731   3.235  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.789   3.463   2.753  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.242   3.549   2.091  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.140   4.020   3.610  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.472   1.333   1.464  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.847   0.803   1.508  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.813   1.213   2.319  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.078  -0.263   0.546  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.131  -0.583  -0.171  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.882   0.992   0.760  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.628   2.003   3.029  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.789   0.754   2.271  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.277  -0.847   0.492  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.678  -1.942  -0.410  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.969  -2.409  -1.428  1.00  1.00           C  
HETATM  192  C   DHA A  17      14.976  -2.503  -0.079  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.576  -2.019   0.882  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.950  -0.523   1.124  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      12.006  -1.983  -1.660  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.357  -3.220  -2.026  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.467  -3.501  -0.805  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.342  -3.878  -0.575  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.947  -3.850  -1.557  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       14                                                                  
HETATM    1  O12 QUA A   0       0.561  -1.204  -0.444  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.582  -1.194   0.015  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.777  -1.647  -0.766  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -3.007  -1.619  -0.185  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.554  -2.080  -2.067  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.045  -2.043  -0.956  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.637  -2.508  -2.834  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.415  -2.003  -0.288  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.918  -2.489  -2.262  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -6.013  -0.714  -0.470  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.367  -3.092  -0.861  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.412  -2.989  -4.266  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.193  -2.459  -4.802  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.119  -2.919  -2.995  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.356  -4.509  -4.302  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.231  -3.192  -2.383  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.555  -2.082  -2.479  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.301  -2.179   0.772  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.374  -0.031  -0.259  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.383  -2.837  -0.604  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.230  -2.665  -4.889  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -1.392  -1.883  -5.545  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.079  -3.006  -4.069  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.178  -4.840  -5.314  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -3.296  -4.913  -3.952  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.556  -4.855  -3.664  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.087  -3.501  -2.966  1.00  1.00           H  
ATOM     28  N   ILE A   1      -6.063  -4.452  -0.323  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.387  -4.607   1.126  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.127  -4.784   1.953  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.140  -4.598   3.170  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.324  -5.809   1.370  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.832  -7.039   0.599  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.749  -5.456   0.966  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.498  -8.331   1.021  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.115  -4.651  -0.465  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.885  -3.716   1.459  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.321  -6.031   2.427  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -7.026  -6.897  -0.453  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.768  -7.151   0.751  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.058  -4.560   1.484  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.411  -6.268   1.229  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.790  -5.288  -0.099  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.076  -9.153   0.462  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.559  -8.271   0.825  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.335  -8.491   2.076  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.038  -5.142   1.285  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.787  -5.429   1.968  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.638  -5.557   0.973  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.710  -6.341   0.027  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.934  -6.695   2.792  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.077  -5.212   0.307  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.578  -4.610   2.641  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.092  -6.792   3.459  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.978  -7.548   2.134  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.847  -6.636   3.368  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.578  -4.783   1.212  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.581  -4.589   0.328  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.742  -5.115  -0.878  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.581  -3.714   0.907  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.354  -3.265   2.028  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.570  -4.302   2.065  1.00  1.00           H  
HETATM   63  HB1 DHA A   3      -0.017  -5.752  -1.300  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.634  -4.894  -1.446  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.674  -3.423   0.220  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.616  -2.409   0.672  1.00  1.00           C  
ATOM     67  C   ALA A   4       4.001  -1.504  -0.490  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.631  -1.957  -1.444  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.842  -3.067   1.281  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.857  -3.905  -0.615  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.133  -1.816   1.434  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       4.535  -3.713   2.091  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.509  -2.306   1.660  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.350  -3.650   0.528  1.00  1.00           H  
ATOM     75  N   SER A   5       3.605  -0.227  -0.405  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.709   0.699  -1.601  1.00  1.00           C  
ATOM     77  C   SER A   5       2.697   0.349  -2.589  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.149   0.716  -2.194  1.00  1.00           C  
ATOM     79  H   SER A   5       3.223   0.099   0.445  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.374  -0.238  -2.643  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.221   1.491  -2.942  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.491   0.816  -2.661  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.791   0.286  -3.686  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.583   0.647  -3.974  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.243   0.199  -4.911  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.519  -0.665  -4.462  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.066  -0.808  -3.812  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.141  -1.201  -5.320  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.074   1.521  -3.096  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.443   2.017  -3.184  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.497   3.523  -2.951  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.496   4.142  -2.586  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.365   1.313  -2.165  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.709   1.788  -2.307  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.889   1.547  -0.737  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.498   1.840  -2.369  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.813   1.803  -4.177  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.345   0.252  -2.365  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.262   1.390  -1.630  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.435   0.899  -0.066  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.066   2.577  -0.462  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -1.834   1.331  -0.668  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.672   4.108  -3.163  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.951   5.538  -2.995  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.419   6.501  -3.744  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.434   6.227  -4.891  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.898   5.872  -1.905  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.408   3.532  -3.456  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.691   7.526  -3.540  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.549   5.750  -4.497  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.160   7.158  -5.362  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.899   5.578  -5.619  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.396   4.973  -1.097  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.317   5.569  -0.117  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.264   4.918   1.253  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.357   5.641   2.245  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.990   7.057  -0.010  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.418   7.505  -1.652  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.323   5.477  -0.496  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.879   7.618   0.263  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.199   7.224   0.701  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.119   3.596   1.326  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.224   2.891   2.603  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.913   3.005   3.386  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.635   1.392   2.387  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.595   0.720   1.703  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.892   0.719   3.701  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.927   1.388   1.497  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.877   2.228   2.166  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.558   0.022   1.256  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.937   3.086   0.508  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.005   3.380   3.168  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -4.923   1.352   1.439  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.180  -0.308   3.531  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.686   1.234   4.221  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -5.996   0.742   4.302  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.699   1.824   0.536  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.694   2.255   1.662  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.289   0.097   0.465  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.042  -0.315   2.161  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -7.793  -0.685   0.974  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.771   2.506   3.028  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.803   2.777   3.937  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.422   2.350   3.809  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.543   2.607   4.632  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.249   3.536   5.063  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.890   3.854   4.881  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.633   3.852   5.893  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.183   1.638   2.708  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.159   1.137   2.415  1.00  1.00           C  
ATOM    151  C   THR A  12       0.771   1.873   1.237  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.175  -0.381   2.159  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.918  -0.775   1.236  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.031  -1.147   3.447  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.916   1.448   2.086  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.769   1.320   3.287  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.133  -0.661   1.744  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.389  -2.138   3.223  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.750  -0.630   4.064  1.00  1.00           H  
ATOM    160 HG23 THR A  12       0.914  -1.214   3.968  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.903   1.569   0.710  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.212   2.377  -0.317  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.502   2.156  -1.044  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.230   3.381  -0.593  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.035   3.205   0.508  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.290   4.125  -1.374  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.539   2.839  -1.879  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.529   2.526  -0.059  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.696   1.989  -0.122  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.653   2.432   0.913  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.175   0.995  -1.097  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.387   0.072  -0.583  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.082   1.356  -1.562  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.867   1.997   1.006  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.523   2.570   2.042  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.899   2.267   2.379  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.512   2.781   3.314  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.740   3.510   2.786  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.204   3.593   2.099  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.078   4.071   3.645  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.435   1.352   1.567  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.817   0.840   1.618  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.787   1.298   2.397  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.048  -0.264   0.699  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.093  -0.628   0.014  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.844   0.981   0.879  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.599   2.116   3.073  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.768   0.849   2.357  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.258  -0.829   0.640  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.659  -1.954  -0.226  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.881  -2.582  -1.096  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.048  -2.344  -0.041  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.709  -1.716   0.786  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.944  -0.455   1.231  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.853  -2.282  -1.222  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.277  -3.398  -1.681  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.550  -3.346  -0.753  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.487  -3.605  -0.625  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.979  -3.812  -1.398  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       15                                                                  
HETATM    1  O12 QUA A   0       0.625  -1.128  -0.385  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.522  -1.151   0.063  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.697  -1.623  -0.735  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.937  -1.623  -0.176  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.445  -2.045  -2.035  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.955  -2.065  -0.965  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.506  -2.493  -2.821  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.337  -2.056  -0.321  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.796  -2.502  -2.273  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.948  -0.771  -0.485  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.271  -3.142  -0.926  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.247  -2.961  -4.252  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.035  -2.399  -4.768  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -4.975  -2.953  -3.029  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.153  -4.479  -4.295  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.095  -3.243  -2.444  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.440  -2.026  -2.430  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.237  -2.253   0.738  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.685  -0.397  -1.330  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.295  -2.889  -0.696  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.064  -2.654  -4.887  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.368  -3.087  -4.837  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.909  -3.045  -4.102  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.346  -4.807  -3.658  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.963  -4.799  -5.310  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -3.081  -4.907  -3.950  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.930  -3.568  -3.047  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.981  -4.500  -0.381  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.386  -4.667   1.045  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.180  -4.930   1.928  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.270  -4.860   3.154  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.403  -5.817   1.210  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.918  -7.074   0.476  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.770  -5.386   0.694  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.749  -8.308   0.766  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.022  -4.684  -0.468  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.850  -3.756   1.373  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.497  -6.037   2.263  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.952  -6.897  -0.589  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.900  -7.284   0.768  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.057  -4.460   1.168  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.499  -6.149   0.923  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.723  -5.243  -0.376  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.814  -8.456   1.834  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -7.284  -9.170   0.310  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.741  -8.179   0.359  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.050  -5.224   1.295  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.830  -5.549   2.016  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.650  -5.671   1.056  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.659  -6.513   0.159  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -3.023  -6.833   2.802  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.039  -5.223   0.315  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.632  -4.749   2.716  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.937  -6.765   3.375  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.187  -6.978   3.469  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.090  -7.666   2.118  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.637  -4.830   1.267  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.509  -4.604   0.372  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.656  -5.100  -0.848  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.512  -3.732   0.951  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.302  -3.304   2.084  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.651  -4.325   2.108  1.00  1.00           H  
HETATM   63  HB1 DHA A   3      -0.105  -5.735  -1.272  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.536  -4.859  -1.425  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.592  -3.421   0.249  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.525  -2.396   0.691  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.913  -1.508  -0.482  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.517  -1.981  -1.445  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.752  -3.034   1.320  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.767  -3.895  -0.590  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.033  -1.792   1.440  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.280  -3.611   0.575  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.442  -3.683   2.125  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.401  -2.262   1.707  1.00  1.00           H  
ATOM     75  N   SER A   5       3.549  -0.223  -0.400  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.664   0.697  -1.598  1.00  1.00           C  
ATOM     77  C   SER A   5       2.648   0.359  -2.585  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.103   0.690  -2.192  1.00  1.00           C  
ATOM     79  H   SER A   5       3.183   0.114   0.453  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.313  -0.267  -2.642  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.187   1.464  -2.941  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.448   0.845  -2.664  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.744   0.318  -3.687  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.624   0.696  -3.984  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.284   0.249  -4.922  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.460  -0.650  -4.453  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.002  -0.814  -3.797  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.077  -1.188  -5.308  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.111   1.582  -3.116  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.489   2.058  -3.193  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.565   3.566  -2.978  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.577   4.205  -2.618  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.385   1.352  -2.155  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.733   1.826  -2.263  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.875   1.584  -0.738  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.527   1.922  -2.406  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.868   1.829  -4.178  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.370   0.291  -2.354  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.915   2.440  -1.548  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.056   2.609  -0.451  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.814   1.382  -0.700  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.391   0.924  -0.057  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.749   4.130  -3.199  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -4.050   5.556  -3.054  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.580   6.509  -3.855  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.650   6.221  -5.044  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.948   5.901  -1.925  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.476   3.537  -3.484  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.863   7.532  -3.664  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.721   5.804  -4.682  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -2.449   7.139  -5.575  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -3.125   5.516  -5.711  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.440   5.004  -1.109  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.303   5.614  -0.087  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.229   4.932   1.266  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.289   5.632   2.277  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.910   7.084   0.038  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.405   7.544  -1.623  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.324   5.571  -0.433  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.760   7.674   0.367  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.077   7.202   0.708  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.103   3.606   1.303  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.211   2.869   2.560  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.917   3.000   3.367  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.573   1.365   2.303  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.459   0.713   1.723  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.947   0.684   3.583  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.768   1.334   1.286  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.751   2.245   1.796  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.418  -0.028   1.077  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.933   3.117   0.472  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.015   3.322   3.124  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.363  -0.162   2.108  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -6.171   0.838   4.317  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.067  -0.375   3.407  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.876   1.094   3.952  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.428   1.693   0.327  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.425   1.754   2.273  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.104  -0.227   1.886  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -7.654  -0.792   1.060  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -8.953  -0.033   0.140  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.764   2.511   3.031  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.815   2.793   3.955  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.431   2.375   3.846  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.563   2.643   4.679  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.287   3.551   5.071  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.927   3.853   4.860  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.688   3.874   5.909  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.177   1.659   2.752  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.171   1.171   2.465  1.00  1.00           C  
ATOM    151  C   THR A  12       0.770   1.895   1.274  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.203  -0.351   2.223  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.876  -0.760   1.289  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.009  -1.110   3.514  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.905   1.457   2.129  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.782   1.373   3.333  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.169  -0.626   1.820  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.352  -2.108   3.292  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.744  -0.599   4.118  1.00  1.00           H  
ATOM    160 HG23 THR A  12       0.928  -1.162   4.048  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.897   1.589   0.737  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.191   2.384  -0.303  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.474   2.157  -1.043  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.202   3.381  -0.580  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.049   3.214   0.537  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.249   4.115  -1.371  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.506   2.839  -1.881  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.515   2.523  -0.068  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.674   1.965  -0.133  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.651   2.402   0.887  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.131   0.953  -1.097  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.319   0.029  -0.575  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.048   1.287  -1.563  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.852   1.938   0.969  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.536   2.504   1.986  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.909   2.166   2.306  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.550   2.673   3.226  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.789   3.472   2.731  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.246   3.587   2.064  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.153   4.034   3.579  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.409   1.236   1.486  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.765   0.654   1.545  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.709   0.975   2.419  1.00  1.00           C  
HETATM  184  C   DHA A  16      11.999  -0.350   0.518  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.070  -0.587  -0.253  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.813   0.912   0.779  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.522   1.721   3.174  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.672   0.487   2.375  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.185  -0.967   0.459  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.594  -1.994  -0.518  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.866  -2.436  -1.534  1.00  1.00           C  
HETATM  192  C   DHA A  17      14.931  -2.512  -0.268  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.546  -2.050   0.693  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.844  -0.710   1.138  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.878  -2.043  -1.707  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.265  -3.194  -2.192  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.436  -3.448  -1.065  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.337  -3.792  -0.890  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.903  -3.781  -1.817  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       16                                                                  
HETATM    1  O12 QUA A   0       0.570  -1.158  -0.416  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.571  -1.171   0.046  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.761  -1.636  -0.737  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.986  -1.657  -0.147  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.536  -2.026  -2.050  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.021  -2.089  -0.922  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.613  -2.464  -2.821  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.385  -2.105  -0.242  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.890  -2.496  -2.241  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -6.003  -0.819  -0.351  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.334  -3.179  -0.852  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.386  -2.897  -4.270  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.161  -2.360  -4.782  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.083  -2.937  -2.980  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.343  -4.416  -4.361  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.189  -3.246  -2.377  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.542  -1.991  -2.470  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.256  -2.332   0.807  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.333  -0.156  -0.531  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.351  -2.928  -0.597  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.200  -2.544  -4.883  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.978  -2.744  -5.642  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.040  -3.004  -4.058  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.515  -4.788  -3.779  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -2.220  -4.710  -5.394  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -3.266  -4.827  -3.979  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.036  -3.563  -2.968  1.00  1.00           H  
ATOM     28  N   ILE A   1      -6.041  -4.551  -0.343  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.373  -4.731   1.100  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.127  -5.011   1.918  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.162  -4.989   3.149  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.389  -5.874   1.312  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.939  -7.139   0.568  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.772  -5.437   0.849  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.772  -8.363   0.885  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.093  -4.752  -0.484  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.812  -3.819   1.461  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.441  -6.087   2.368  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -7.002  -6.965  -0.496  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.914  -7.359   0.830  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.764  -5.292  -0.221  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.036  -4.510   1.336  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -9.495  -6.197   1.105  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.345  -9.226   0.394  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.782  -8.214   0.535  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.781  -8.527   1.953  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.025  -5.270   1.225  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.784  -5.647   1.880  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.632  -5.689   0.881  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.688  -6.420  -0.108  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.957  -6.991   2.562  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.050  -5.206   0.248  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.566  -4.908   2.638  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.851  -6.967   3.169  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.101  -7.193   3.186  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.052  -7.763   1.813  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.592  -4.901   1.158  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.576  -4.658   0.296  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.776  -5.165  -0.913  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.539  -3.755   0.898  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.280  -3.318   2.018  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.608  -4.442   2.024  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.047  -5.823  -1.356  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.670  -4.908  -1.463  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.638  -3.435   0.229  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.546  -2.394   0.690  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.946  -1.501  -0.474  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.562  -1.968  -1.431  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.771  -3.016   1.342  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.848  -3.913  -0.600  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.030  -1.799   1.431  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       4.454  -3.707   2.110  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.376  -2.239   1.785  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.347  -3.542   0.597  1.00  1.00           H  
ATOM     75  N   SER A   5       3.579  -0.217  -0.393  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.697   0.702  -1.593  1.00  1.00           C  
ATOM     77  C   SER A   5       2.686   0.355  -2.585  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.139   0.705  -2.179  1.00  1.00           C  
ATOM     79  H   SER A   5       3.212   0.121   0.458  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.361  -0.254  -2.619  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.219   1.473  -2.935  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.483   0.831  -2.668  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.787   0.300  -3.695  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.584   0.668  -3.998  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.232   0.225  -4.946  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.513  -0.661  -4.461  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.054  -0.813  -3.798  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.138  -1.200  -5.317  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.086   1.536  -3.121  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.457   2.030  -3.226  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.514   3.535  -2.987  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.518   4.153  -2.610  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.394   1.319  -2.225  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.737   1.788  -2.392  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.949   1.555  -0.787  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.521   1.851  -2.386  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.811   1.821  -4.226  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.366   0.258  -2.423  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.812   2.678  -2.041  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.485   0.886  -0.131  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.159   2.576  -0.506  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -1.888   1.369  -0.702  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.688   4.120  -3.207  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.971   5.547  -3.033  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.458   6.514  -3.792  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.494   6.244  -4.956  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.901   5.878  -1.925  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.419   3.544  -3.513  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.732   7.537  -3.582  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.975   5.605  -5.682  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.605   5.757  -4.582  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.220   7.179  -5.423  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.369   4.980  -1.099  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.278   5.572  -0.104  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.189   4.935   1.269  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.187   5.672   2.257  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.967   7.064  -0.017  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.437   7.505  -1.675  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.290   5.464  -0.463  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.857   7.616   0.270  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.163   7.247   0.673  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.118   3.608   1.352  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.205   2.921   2.639  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.889   3.058   3.407  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.601   1.415   2.448  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.562   0.746   1.757  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.835   0.751   3.771  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.905   1.380   1.575  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.854   2.220   2.244  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.521   0.002   1.368  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -6.003   3.082   0.534  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -6.986   3.409   3.206  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.431  -0.125   2.138  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.666   1.228   4.271  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -5.949   0.838   4.383  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.062  -0.293   3.617  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.694   1.801   0.604  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.722   2.099   1.851  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.215   0.038   0.542  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.046  -0.295   2.265  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -7.742  -0.714   1.154  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.752   2.545   3.053  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.775   2.842   3.942  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.399   2.407   3.812  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.510   2.683   4.619  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.206   3.637   5.047  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.847   3.955   4.873  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.579   3.975   5.858  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.173   1.665   2.729  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.165   1.164   2.431  1.00  1.00           C  
ATOM    151  C   THR A  12       0.768   1.890   1.243  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.184  -0.357   2.191  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.908  -0.766   1.272  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.015  -1.108   3.488  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.915   1.454   2.124  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.781   1.358   3.296  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.144  -0.638   1.777  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.389  -2.098   3.278  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.719  -0.576   4.111  1.00  1.00           H  
ATOM    160 HG23 THR A  12       0.935  -1.183   3.998  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.901   1.589   0.718  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.203   2.384  -0.319  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.494   2.160  -1.041  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.213   3.375  -0.609  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.051   3.204   0.495  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.265   4.108  -1.401  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.537   2.843  -1.878  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.520   2.526  -0.051  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.684   1.984  -0.110  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.641   2.418   0.932  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.162   0.989  -1.081  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.375   0.066  -0.565  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.070   1.347  -1.547  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.858   1.991   1.010  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.516   2.548   2.053  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.896   2.244   2.373  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.510   2.727   3.324  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.730   3.466   2.820  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.191   3.552   2.142  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.068   4.013   3.688  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.440   1.390   1.504  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.812   0.852   1.545  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.680   1.010   2.534  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.156   0.095   0.350  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.288   0.003  -0.517  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.871   1.105   0.759  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.407   1.575   3.411  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.664   0.573   2.462  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.368  -0.458   0.246  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.878  -1.234  -0.901  1.00  1.00           C  
HETATM  191  CB  DHA A  17      13.228  -1.472  -2.031  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.222  -1.747  -0.687  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.764  -1.487   0.387  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.971  -0.337   1.007  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      12.233  -1.084  -2.178  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.697  -2.054  -2.810  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.813  -2.463  -1.637  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.719  -2.806  -1.488  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      15.336  -2.640  -2.473  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       17                                                                  
HETATM    1  O12 QUA A   0       0.569  -1.172  -0.415  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.574  -1.182   0.045  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.764  -1.636  -0.742  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.993  -1.645  -0.156  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.539  -2.029  -2.055  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.026  -2.068  -0.935  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.616  -2.457  -2.829  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.395  -2.076  -0.261  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.896  -2.476  -2.253  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -6.018  -0.794  -0.394  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.330  -3.161  -0.865  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.389  -2.894  -4.277  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.161  -2.360  -4.789  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.091  -2.907  -2.996  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.346  -4.415  -4.363  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.197  -3.216  -2.391  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.543  -2.001  -2.471  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.272  -2.288   0.792  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.709  -0.840  -1.058  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.350  -2.934  -0.598  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.200  -2.543  -4.894  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.730  -3.018  -5.338  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.052  -2.962  -4.072  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -2.156  -4.711  -5.384  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -3.293  -4.820  -4.040  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -1.558  -4.789  -3.726  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.047  -3.523  -2.980  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.997  -4.530  -0.369  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.377  -4.756   1.056  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.148  -4.960   1.923  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.209  -4.829   3.146  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.308  -5.978   1.201  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.798  -7.141   0.340  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.732  -5.602   0.814  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.510  -8.452   0.599  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.035  -4.687  -0.476  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.899  -3.887   1.410  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.311  -6.280   2.237  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.933  -6.894  -0.702  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.747  -7.290   0.537  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.042  -4.737   1.382  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.395  -6.428   1.028  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.770  -5.373  -0.241  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.041  -9.236   0.022  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.547  -8.363   0.310  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.448  -8.694   1.650  1.00  1.00           H  
ATOM     47  N   ALA A   2      -4.029  -5.274   1.280  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.792  -5.558   1.991  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.622  -5.671   1.021  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.652  -6.480   0.095  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.948  -6.832   2.802  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.037  -5.317   0.301  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.604  -4.742   2.675  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.970  -7.681   2.137  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.875  -6.787   3.358  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -2.120  -6.929   3.487  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.591  -4.859   1.256  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.567  -4.640   0.376  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.743  -5.162  -0.830  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.548  -3.742   0.954  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.311  -3.294   2.073  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.605  -4.368   2.104  1.00  1.00           H  
HETATM   63  HB1 DHA A   3      -0.001  -5.817  -1.254  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.632  -4.923  -1.395  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.637  -3.431   0.265  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.563  -2.403   0.715  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.958  -1.510  -0.455  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.580  -1.977  -1.408  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.787  -3.041   1.350  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.824  -3.907  -0.571  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.064  -1.802   1.462  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       4.473  -3.684   2.159  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.438  -2.270   1.733  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.313  -3.624   0.610  1.00  1.00           H  
ATOM     75  N   SER A   5       3.580  -0.229  -0.377  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.689   0.690  -1.579  1.00  1.00           C  
ATOM     77  C   SER A   5       2.677   0.342  -2.566  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.129   0.697  -2.173  1.00  1.00           C  
ATOM     79  H   SER A   5       3.208   0.107   0.473  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.348  -0.262  -2.617  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.202   1.465  -2.929  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.484   0.838  -2.664  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.781   0.299  -3.682  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.580   0.684  -3.999  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.233   0.236  -4.942  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.493  -0.691  -4.424  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.028  -0.858  -3.752  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.112  -1.242  -5.271  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.075   1.574  -3.139  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.446   2.065  -3.246  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.512   3.573  -3.014  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.516   4.201  -2.658  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.380   1.352  -2.245  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.724   1.822  -2.407  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.930   1.582  -0.808  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.503   1.907  -2.417  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.799   1.852  -4.246  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.354   0.292  -2.448  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.880   2.560  -1.812  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.129   2.605  -0.524  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.872   1.385  -0.726  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.471   0.915  -0.152  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.695   4.145  -3.221  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.987   5.573  -3.056  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.510   6.535  -3.843  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.580   6.258  -5.035  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.885   5.910  -1.924  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.427   3.561  -3.506  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.787   7.557  -3.638  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -3.065   5.579  -5.720  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.660   5.818  -4.681  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.362   7.186  -5.543  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.366   5.010  -1.106  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.235   5.613  -0.083  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.156   4.935   1.270  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.134   5.643   2.278  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.854   7.088   0.038  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.359   7.549  -1.626  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.255   5.561  -0.430  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.709   7.670   0.369  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.021   7.214   0.705  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.116   3.605   1.314  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.234   2.885   2.580  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.933   2.997   3.378  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.632   1.387   2.346  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.548   0.708   1.739  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.981   0.721   3.642  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.859   1.375   1.368  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.818   2.288   1.918  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.527   0.020   1.167  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -6.003   3.098   0.481  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.023   3.364   3.143  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.022   0.275   2.415  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.138  -0.333   3.476  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -7.885   1.161   4.038  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -6.177   0.857   4.348  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.547   1.741   0.401  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.493   2.477   1.262  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.102   0.034   0.254  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.181  -0.184   2.001  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -7.772  -0.750   1.107  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.788   2.494   3.032  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.829   2.762   3.951  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.449   2.330   3.836  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.581   2.575   4.674  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.284   3.523   5.071  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.922   3.845   4.873  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.676   3.838   5.907  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.197   1.633   2.730  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.150   1.139   2.444  1.00  1.00           C  
ATOM    151  C   THR A  12       0.761   1.873   1.262  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.177  -0.380   2.196  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.913  -0.785   1.273  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.025  -1.140   3.488  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.923   1.447   2.099  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.756   1.333   3.315  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.137  -0.655   1.782  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.744  -0.621   4.104  1.00  1.00           H  
ATOM    159 HG22 THR A  12       0.920  -1.205   4.007  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.386  -2.133   3.269  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.892   1.568   0.733  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.199   2.372  -0.297  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.487   2.149  -1.027  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.217   3.375  -0.574  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.046   3.202   0.529  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.274   4.117  -1.358  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.520   2.828  -1.868  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.524   2.526  -0.050  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.690   1.985  -0.117  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.660   2.431   0.904  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.158   0.980  -1.083  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.367   0.060  -0.562  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.066   1.330  -1.556  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.879   2.009   0.966  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.552   2.577   1.992  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.940   2.285   2.290  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.569   2.785   3.222  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.777   3.501   2.764  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.225   3.574   2.112  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.129   4.056   3.621  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.467   1.405   1.437  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.860   0.923   1.423  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.832   1.327   2.229  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.099  -0.085   0.403  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.142  -0.405  -0.301  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.863   1.044   0.756  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.638   2.076   2.980  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.822   0.907   2.134  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.324  -0.604   0.260  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.726  -1.642  -0.706  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.908  -2.337  -1.484  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.163  -1.853  -0.747  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.861  -1.168   0.002  1.00  1.00           O  
HETATM  194  H   DHA A  17      14.020  -0.246   0.850  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.843  -2.168  -1.443  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.308  -3.077  -2.162  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.671  -2.758  -1.577  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.641  -2.896  -1.602  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      15.070  -3.274  -2.153  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       18                                                                  
HETATM    1  O12 QUA A   0       0.602  -1.169  -0.391  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.545  -1.190   0.058  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.720  -1.669  -0.736  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.953  -1.704  -0.159  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.476  -2.057  -2.045  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -3.972  -2.148  -0.946  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.539  -2.508  -2.828  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.346  -2.182  -0.283  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.821  -2.554  -2.264  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -5.987  -0.907  -0.410  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.264  -3.276  -0.901  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.291  -2.940  -4.273  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.078  -2.370  -4.780  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.000  -3.009  -3.016  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.201  -4.457  -4.356  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.106  -3.336  -2.424  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.477  -2.011  -2.453  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.229  -2.398   0.769  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.984  -0.638  -1.332  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.289  -3.052  -0.652  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.110  -2.614  -4.894  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.783  -2.871  -5.544  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -4.946  -3.070  -4.092  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -1.381  -4.803  -3.745  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -2.035  -4.751  -5.382  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -3.123  -4.893  -4.001  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -6.943  -3.662  -3.024  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.937  -4.642  -0.390  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.318  -4.844   1.039  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.092  -5.041   1.910  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.157  -4.910   3.132  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.262  -6.053   1.206  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.683  -7.290   0.506  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.641  -5.719   0.655  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.419  -8.573   0.832  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.977  -4.804  -0.496  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.832  -3.966   1.378  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.363  -6.259   2.261  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.731  -7.145  -0.562  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.652  -7.416   0.801  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.324  -6.527   0.876  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.578  -5.583  -0.414  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -9.000  -4.810   1.114  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.452  -8.706   1.904  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -6.904  -9.407   0.381  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -8.426  -8.521   0.445  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.970  -5.348   1.271  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.741  -5.644   1.986  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.566  -5.745   1.022  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.560  -6.587   0.124  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.905  -6.927   2.782  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.971  -5.375   0.292  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.556  -4.836   2.681  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -3.790  -6.849   3.398  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -2.039  -7.078   3.407  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -3.013  -7.758   2.103  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.571  -4.885   1.232  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.577  -4.645   0.346  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.745  -5.147  -0.869  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.554  -3.749   0.931  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.320  -3.318   2.059  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.604  -4.372   2.066  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.000  -5.799  -1.297  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.625  -4.893  -1.440  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.634  -3.422   0.240  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.545  -2.380   0.689  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.935  -1.494  -0.482  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.567  -1.960  -1.430  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.772  -2.996   1.339  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.825  -3.893  -0.598  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.033  -1.781   1.428  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.324  -3.564   0.604  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       4.462  -3.651   2.141  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.401  -2.214   1.737  1.00  1.00           H  
ATOM     75  N   SER A   5       3.541  -0.217  -0.415  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.648   0.697  -1.619  1.00  1.00           C  
ATOM     77  C   SER A   5       2.630   0.349  -2.600  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.086   0.701  -2.219  1.00  1.00           C  
ATOM     79  H   SER A   5       3.157   0.118   0.429  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.302  -0.256  -2.665  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.160   1.473  -2.971  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.428   0.821  -2.662  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.717   0.297  -3.679  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.657   0.670  -3.949  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.330   0.245  -4.889  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.432  -0.657  -4.463  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       2.984  -0.810  -3.825  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.045  -1.192  -5.317  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.133   1.520  -3.042  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.493   2.038  -3.105  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.510   3.544  -2.855  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.510   4.120  -2.427  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.410   1.340  -2.079  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.742   1.859  -2.177  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.891   1.528  -0.658  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.549   1.805  -2.307  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.882   1.843  -4.095  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.429   0.284  -2.301  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -4.960   2.007  -3.100  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -2.997   2.562  -0.367  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.851   1.247  -0.615  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.460   0.905   0.018  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.647   4.175  -3.123  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.871   5.615  -2.959  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.286   6.556  -3.696  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.292   6.238  -4.824  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.824   5.990  -1.885  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.391   3.632  -3.457  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.518   7.589  -3.497  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -1.427   5.739  -4.411  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.984   7.155  -5.302  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.765   5.594  -5.551  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.403   5.109  -1.112  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.306   5.746  -0.142  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.338   5.057   1.207  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.592   5.736   2.202  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.873   7.201   0.016  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.233   7.648  -1.603  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.304   5.738  -0.551  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.724   7.819   0.286  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.088   7.289   0.746  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.093   3.750   1.260  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.230   3.005   2.508  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.935   3.090   3.320  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.642   1.517   2.233  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.607   0.872   1.514  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.895   0.788   3.517  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.940   1.549   1.348  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.879   2.375   2.049  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.583   0.197   1.070  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.815   3.279   0.447  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -7.020   3.478   3.073  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.370   0.055   1.958  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.710   1.259   4.045  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -6.006   0.815   4.130  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.151  -0.240   3.305  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.712   2.013   0.401  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.250   1.883   2.785  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.174  -0.103   1.923  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -7.815  -0.538   0.891  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.220   0.272   0.201  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.794   2.570   2.985  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.841   2.819   3.917  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.467   2.365   3.818  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.603   2.601   4.664  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.299   3.581   5.036  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.928   3.932   4.819  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.696   3.881   5.880  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.212   1.656   2.719  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.136   1.168   2.434  1.00  1.00           C  
ATOM    151  C   THR A  12       0.736   1.893   1.241  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.178  -0.355   2.204  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.900  -0.781   1.276  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.025  -1.107   3.501  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.940   1.456   2.094  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.744   1.377   3.302  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.144  -0.626   1.800  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.357  -2.110   3.285  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.766  -0.599   4.101  1.00  1.00           H  
ATOM    160 HG23 THR A  12       0.913  -1.144   4.035  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.866   1.587   0.707  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.164   2.383  -0.333  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.450   2.157  -1.069  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.176   3.379  -0.613  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.079   3.213   0.501  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.225   4.115  -1.403  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.482   2.837  -1.909  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.486   2.528  -0.092  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.648   1.981  -0.158  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.617   2.422   0.868  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.116   0.977  -1.128  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.322   0.056  -0.608  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.025   1.327  -1.598  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.820   1.965   0.958  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.494   2.534   1.982  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.865   2.203   2.309  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.500   2.705   3.236  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.737   3.498   2.722  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.198   3.605   2.043  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.093   4.061   3.571  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.373   1.287   1.482  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.729   0.710   1.536  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.646   0.967   2.457  1.00  1.00           C  
HETATM  184  C   DHA A  16      11.994  -0.212   0.443  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.084  -0.393  -0.365  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.783   0.973   0.765  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.433   1.653   3.261  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.613   0.487   2.403  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.188  -0.802   0.356  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.608  -1.779  -0.666  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.824  -2.335  -1.578  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.023  -2.102  -0.592  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.688  -1.544   0.281  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.852  -0.549   1.032  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.776  -2.084  -1.620  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.236  -3.041  -2.284  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.547  -2.970  -1.451  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.502  -3.183  -1.397  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      14.972  -3.386  -2.127  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       19                                                                  
HETATM    1  O12 QUA A   0       0.545  -1.173  -0.439  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.595  -1.188   0.029  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.787  -1.654  -0.747  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -3.008  -1.684  -0.147  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.571  -2.035  -2.066  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.046  -2.116  -0.918  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.651  -2.472  -2.830  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.408  -2.147  -0.230  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.922  -2.513  -2.241  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -6.047  -0.871  -0.341  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.338  -3.237  -0.837  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.434  -2.897  -4.283  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.218  -2.347  -4.806  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.118  -2.953  -2.975  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.378  -4.415  -4.381  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.214  -3.280  -2.364  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.579  -1.991  -2.492  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.272  -2.369   0.819  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -6.667  -0.887  -1.073  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.358  -3.019  -0.562  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.256  -2.549  -4.888  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -1.242  -2.371  -5.765  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.087  -3.000  -4.052  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -3.330  -4.830  -4.087  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.604  -4.790  -3.727  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.159  -4.701  -5.399  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.065  -3.594  -2.949  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.996  -4.609  -0.351  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.336  -4.832   1.084  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.084  -5.023   1.919  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.115  -4.898   3.143  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.261  -6.056   1.263  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.667  -7.289   0.567  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.650  -5.746   0.720  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.446  -8.565   0.816  1.00  1.00           C  
ATOM     36  H   ILE A   1      -5.040  -4.770  -0.485  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.851  -3.962   1.448  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.354  -6.258   2.319  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.648  -7.118  -0.498  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.658  -7.443   0.920  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -9.015  -4.832   1.165  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -9.322  -6.556   0.963  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -8.600  -5.630  -0.352  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -6.904  -9.403   0.402  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.414  -8.495   0.344  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.573  -8.707   1.879  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.978  -5.318   1.247  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.728  -5.611   1.929  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.572  -5.688   0.940  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.614  -6.463  -0.014  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.863  -6.906   2.707  1.00  1.00           C  
ATOM     52  H   ALA A   2      -4.004  -5.339   0.268  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.536  -4.813   2.632  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.963  -7.730   2.016  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.742  -6.854   3.333  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -1.988  -7.052   3.322  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.541  -4.881   1.190  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.620  -4.650   0.317  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.805  -5.168  -0.889  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.589  -3.747   0.906  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.338  -3.303   2.024  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.557  -4.400   2.043  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.067  -5.824  -1.319  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.693  -4.920  -1.450  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.686  -3.434   0.233  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.590  -2.387   0.686  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.972  -1.491  -0.482  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.596  -1.951  -1.437  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.823  -2.997   1.330  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.896  -3.921  -0.591  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.076  -1.794   1.429  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       5.455  -2.209   1.715  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.367  -3.570   0.593  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       4.519  -3.645   2.140  1.00  1.00           H  
ATOM     75  N   SER A   5       3.583  -0.214  -0.403  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.684   0.706  -1.601  1.00  1.00           C  
ATOM     77  C   SER A   5       2.670   0.352  -2.588  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.123   0.722  -2.194  1.00  1.00           C  
ATOM     79  H   SER A   5       3.209   0.118   0.448  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.348  -0.231  -2.644  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.195   1.497  -2.944  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.466   0.822  -2.664  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.764   0.287  -3.685  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.607   0.654  -3.976  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.265   0.219  -4.922  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.489  -0.672  -4.454  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.036  -0.817  -3.801  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.112  -1.214  -5.308  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.103   1.508  -3.084  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.466   2.020  -3.177  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.497   3.522  -2.922  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.505   4.108  -2.486  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.405   1.313  -2.175  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.740   1.813  -2.319  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.935   1.519  -0.740  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.535   1.803  -2.342  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.829   1.825  -4.177  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.402   0.256  -2.391  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.367   1.104  -2.151  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -1.883   1.289  -0.669  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -3.490   0.864  -0.084  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.102   2.545  -0.448  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.641   4.142  -3.192  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -3.882   5.578  -3.021  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.330   6.526  -3.773  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.358   6.223  -4.925  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.815   5.936  -1.925  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.375   3.592  -3.533  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.572   7.557  -3.567  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.854   5.606  -5.661  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -1.495   5.701  -4.540  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -2.044   7.149  -5.383  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.338   5.049  -1.119  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.234   5.672  -0.131  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.194   5.012   1.234  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.256   5.732   2.233  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.854   7.145  -0.017  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.280   7.583  -1.661  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.243   5.615  -0.506  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.720   7.735   0.266  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.052   7.279   0.687  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.094   3.687   1.298  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.216   2.978   2.570  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.911   3.071   3.363  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.643   1.486   2.346  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.590   0.795   1.701  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.955   0.823   3.653  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.903   1.494   1.408  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.834   2.407   2.001  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.588   0.147   1.214  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.935   3.176   0.477  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -6.995   3.474   3.132  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -5.067   0.326   2.356  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.802   1.312   4.111  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -6.100   0.894   4.309  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.189  -0.217   3.485  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.621   1.869   0.437  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.058   2.108   2.885  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -7.843  -0.619   1.067  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.233   0.195   0.349  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -9.176  -0.086   2.090  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.773   2.553   3.015  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.809   2.808   3.933  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.435   2.356   3.818  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.560   2.599   4.650  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.252   3.573   5.055  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.886   3.918   4.859  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.639   3.877   5.890  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.198   1.639   2.720  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.145   1.141   2.425  1.00  1.00           C  
ATOM    151  C   THR A  12       0.750   1.876   1.243  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.168  -0.378   2.173  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.927  -0.783   1.256  1.00  1.00           O  
ATOM    154  CG2 THR A  12      -0.023  -1.141   3.464  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.933   1.442   2.103  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.757   1.330   3.294  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.125  -0.653   1.751  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.717  -0.612   4.098  1.00  1.00           H  
ATOM    159 HG22 THR A  12       0.931  -1.229   3.963  1.00  1.00           H  
ATOM    160 HG23 THR A  12      -0.408  -2.125   3.245  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.882   1.575   0.713  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.185   2.380  -0.317  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.475   2.161  -1.045  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.199   3.379  -0.594  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.062   3.201   0.510  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.253   4.120  -1.378  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.511   2.846  -1.882  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.501   2.531  -0.059  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.668   1.995  -0.123  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.624   2.433   0.916  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.149   1.003  -1.099  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.364   0.080  -0.585  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.054   1.367  -1.565  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.843   2.014   0.992  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.498   2.573   2.035  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.881   2.283   2.356  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.489   2.776   3.304  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.708   3.485   2.805  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.166   3.561   2.130  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.043   4.033   3.674  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.436   1.424   1.496  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.819   0.913   1.543  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.694   1.125   2.516  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.170   0.117   0.377  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.298  -0.033  -0.478  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.868   1.114   0.760  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.419   1.719   3.374  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.685   0.705   2.450  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.399  -0.398   0.278  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.908  -1.245  -0.817  1.00  1.00           C  
HETATM  191  CB  DHA A  17      13.195  -1.716  -1.830  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.327  -1.537  -0.696  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.924  -1.064   0.271  1.00  1.00           O  
HETATM  194  H   DHA A  17      14.024  -0.183   1.000  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      12.144  -1.490  -1.906  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.668  -2.329  -2.583  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.925  -2.292  -1.612  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.881  -2.486  -1.525  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      15.401  -2.644  -2.362  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
MODEL       20                                                                  
HETATM    1  O12 QUA A   0       0.562  -1.136  -0.416  1.00  1.00           O  
HETATM    2  C11 QUA A   0      -0.574  -1.170   0.058  1.00  1.00           C  
HETATM    3  C2  QUA A   0      -1.764  -1.650  -0.714  1.00  1.00           C  
HETATM    4  N1  QUA A   0      -2.981  -1.712  -0.105  1.00  1.00           N  
HETATM    5  C3  QUA A   0      -1.550  -2.012  -2.037  1.00  1.00           C  
HETATM    6  C9  QUA A   0      -4.015  -2.155  -0.872  1.00  1.00           C  
HETATM    7  C4  QUA A   0      -2.627  -2.461  -2.798  1.00  1.00           C  
HETATM    8  C8  QUA A   0      -5.370  -2.221  -0.173  1.00  1.00           C  
HETATM    9  C10 QUA A   0      -3.894  -2.534  -2.201  1.00  1.00           C  
HETATM   10  O16 QUA A   0      -6.031  -0.954  -0.257  1.00  1.00           O  
HETATM   11  C7  QUA A   0      -6.289  -3.315  -0.785  1.00  1.00           C  
HETATM   12  C13 QUA A   0      -2.413  -2.866  -4.256  1.00  1.00           C  
HETATM   13  O15 QUA A   0      -1.208  -2.292  -4.779  1.00  1.00           O  
HETATM   14  C5  QUA A   0      -5.086  -2.992  -2.929  1.00  1.00           C  
HETATM   15  C14 QUA A   0      -2.333  -4.382  -4.370  1.00  1.00           C  
HETATM   16  C6  QUA A   0      -6.173  -3.345  -2.314  1.00  1.00           C  
HETATM   17  HC3 QUA A   0      -0.563  -1.943  -2.470  1.00  1.00           H  
HETATM   18  HC8 QUA A   0      -5.220  -2.457   0.871  1.00  1.00           H  
HETATM   19  H16 QUA A   0      -5.976  -0.623  -1.156  1.00  1.00           H  
HETATM   20 HC71 QUA A   0      -7.309  -3.110  -0.506  1.00  1.00           H  
HETATM   21  H13 QUA A   0      -3.244  -2.524  -4.852  1.00  1.00           H  
HETATM   22  H15 QUA A   0      -0.952  -2.759  -5.578  1.00  1.00           H  
HETATM   23  HC5 QUA A   0      -5.061  -3.031  -4.007  1.00  1.00           H  
HETATM   24 H141 QUA A   0      -3.265  -4.818  -4.040  1.00  1.00           H  
HETATM   25 H142 QUA A   0      -1.526  -4.748  -3.752  1.00  1.00           H  
HETATM   26 H143 QUA A   0      -2.152  -4.657  -5.398  1.00  1.00           H  
HETATM   27  HC6 QUA A   0      -7.021  -3.671  -2.897  1.00  1.00           H  
ATOM     28  N   ILE A   1      -5.931  -4.684  -0.309  1.00  1.00           N  
ATOM     29  CA  ILE A   1      -6.291  -4.924   1.119  1.00  1.00           C  
ATOM     30  C   ILE A   1      -5.054  -5.172   1.962  1.00  1.00           C  
ATOM     31  O   ILE A   1      -5.113  -5.153   3.191  1.00  1.00           O  
ATOM     32  CB  ILE A   1      -7.257  -6.120   1.262  1.00  1.00           C  
ATOM     33  CG1 ILE A   1      -6.715  -7.345   0.513  1.00  1.00           C  
ATOM     34  CG2 ILE A   1      -8.639  -5.740   0.748  1.00  1.00           C  
ATOM     35  CD1 ILE A   1      -7.547  -8.596   0.703  1.00  1.00           C  
ATOM     36  H   ILE A   1      -4.969  -4.826  -0.427  1.00  1.00           H  
ATOM     37  HA  ILE A   1      -6.782  -4.046   1.495  1.00  1.00           H  
ATOM     38  HB  ILE A   1      -7.346  -6.360   2.312  1.00  1.00           H  
ATOM     39 HG12 ILE A   1      -6.685  -7.126  -0.544  1.00  1.00           H  
ATOM     40 HG13 ILE A   1      -5.713  -7.556   0.858  1.00  1.00           H  
ATOM     41 HG21 ILE A   1      -8.602  -5.612  -0.324  1.00  1.00           H  
ATOM     42 HG22 ILE A   1      -8.952  -4.815   1.209  1.00  1.00           H  
ATOM     43 HG23 ILE A   1      -9.344  -6.520   0.994  1.00  1.00           H  
ATOM     44 HD11 ILE A   1      -7.020  -9.444   0.291  1.00  1.00           H  
ATOM     45 HD12 ILE A   1      -8.493  -8.480   0.195  1.00  1.00           H  
ATOM     46 HD13 ILE A   1      -7.721  -8.756   1.756  1.00  1.00           H  
ATOM     47  N   ALA A   2      -3.932  -5.395   1.288  1.00  1.00           N  
ATOM     48  CA  ALA A   2      -2.686  -5.729   1.962  1.00  1.00           C  
ATOM     49  C   ALA A   2      -1.533  -5.777   0.968  1.00  1.00           C  
ATOM     50  O   ALA A   2      -1.541  -6.581   0.036  1.00  1.00           O  
ATOM     51  CB  ALA A   2      -2.834  -7.058   2.684  1.00  1.00           C  
ATOM     52  H   ALA A   2      -3.941  -5.333   0.311  1.00  1.00           H  
ATOM     53  HA  ALA A   2      -2.487  -4.964   2.698  1.00  1.00           H  
ATOM     54  HB1 ALA A   2      -2.945  -7.848   1.957  1.00  1.00           H  
ATOM     55  HB2 ALA A   2      -3.711  -7.024   3.313  1.00  1.00           H  
ATOM     56  HB3 ALA A   2      -1.959  -7.240   3.289  1.00  1.00           H  
HETATM   57  N   DHA A   3      -0.540  -4.914   1.186  1.00  1.00           N  
HETATM   58  CA  DHA A   3       0.593  -4.641   0.288  1.00  1.00           C  
HETATM   59  CB  DHA A   3       0.749  -5.114  -0.941  1.00  1.00           C  
HETATM   60  C   DHA A   3       1.573  -3.750   0.876  1.00  1.00           C  
HETATM   61  O   DHA A   3       1.356  -3.343   2.016  1.00  1.00           O  
HETATM   62  H   DHA A   3      -0.563  -4.426   2.035  1.00  1.00           H  
HETATM   63  HB1 DHA A   3       0.005  -5.763  -1.373  1.00  1.00           H  
HETATM   64  HB2 DHA A   3       1.619  -4.838  -1.517  1.00  1.00           H  
ATOM     65  N   ALA A   4       2.645  -3.406   0.174  1.00  1.00           N  
ATOM     66  CA  ALA A   4       3.577  -2.391   0.640  1.00  1.00           C  
ATOM     67  C   ALA A   4       3.964  -1.478  -0.512  1.00  1.00           C  
ATOM     68  O   ALA A   4       4.587  -1.924  -1.475  1.00  1.00           O  
ATOM     69  CB  ALA A   4       4.807  -3.045   1.249  1.00  1.00           C  
ATOM     70  H   ALA A   4       2.815  -3.850  -0.682  1.00  1.00           H  
ATOM     71  HA  ALA A   4       3.087  -1.806   1.405  1.00  1.00           H  
ATOM     72  HB1 ALA A   4       4.501  -3.707   2.047  1.00  1.00           H  
ATOM     73  HB2 ALA A   4       5.463  -2.284   1.644  1.00  1.00           H  
ATOM     74  HB3 ALA A   4       5.327  -3.612   0.491  1.00  1.00           H  
ATOM     75  N   SER A   5       3.579  -0.201  -0.413  1.00  1.00           N  
ATOM     76  CA  SER A   5       3.685   0.738  -1.598  1.00  1.00           C  
ATOM     77  C   SER A   5       2.673   0.402  -2.591  1.00  1.00           C  
ATOM     78  CB  SER A   5       5.124   0.758  -2.191  1.00  1.00           C  
ATOM     79  H   SER A   5       3.206   0.119   0.442  1.00  1.00           H  
ATOM     80  HB2 SER A   5       5.343  -0.188  -2.660  1.00  1.00           H  
ATOM     81  HB3 SER A   5       5.198   1.547  -2.927  1.00  1.00           H  
HETATM   82  N   BB9 A   6       1.471   0.878  -2.668  1.00  1.00           N  
HETATM   83  CA  BB9 A   6       0.775   0.356  -3.699  1.00  1.00           C  
HETATM   84  C   BB9 A   6      -0.594   0.725  -3.998  1.00  1.00           C  
HETATM   85  O   BB9 A   6      -1.242   0.295  -4.953  1.00  1.00           O  
HETATM   86  CB  BB9 A   6       1.500  -0.597  -4.473  1.00  1.00           C  
HETATM   87  SG  BB9 A   6       3.041  -0.755  -3.814  1.00  1.00           S  
HETATM   88  HB  BB9 A   6       1.124  -1.129  -5.335  1.00  1.00           H  
ATOM     89  N   THR A   7      -1.099   1.576  -3.109  1.00  1.00           N  
ATOM     90  CA  THR A   7      -2.475   2.053  -3.196  1.00  1.00           C  
ATOM     91  C   THR A   7      -2.546   3.562  -2.993  1.00  1.00           C  
ATOM     92  O   THR A   7      -1.559   4.196  -2.613  1.00  1.00           O  
ATOM     93  CB  THR A   7      -3.380   1.358  -2.158  1.00  1.00           C  
ATOM     94  OG1 THR A   7      -4.720   1.857  -2.263  1.00  1.00           O  
ATOM     95  CG2 THR A   7      -2.863   1.577  -0.743  1.00  1.00           C  
ATOM     96  H   THR A   7      -0.532   1.892  -2.375  1.00  1.00           H  
ATOM     97  HA  THR A   7      -2.848   1.815  -4.182  1.00  1.00           H  
ATOM     98  HB  THR A   7      -3.385   0.297  -2.362  1.00  1.00           H  
ATOM     99  HG1 THR A   7      -5.287   1.384  -1.650  1.00  1.00           H  
ATOM    100 HG21 THR A   7      -3.002   2.612  -0.463  1.00  1.00           H  
ATOM    101 HG22 THR A   7      -1.811   1.333  -0.702  1.00  1.00           H  
ATOM    102 HG23 THR A   7      -3.406   0.943  -0.058  1.00  1.00           H  
HETATM  103  N   DBU A   8      -3.718   4.134  -3.246  1.00  1.00           N  
HETATM  104  CA  DBU A   8      -4.006   5.566  -3.126  1.00  1.00           C  
HETATM  105  CB  DBU A   8      -3.518   6.499  -3.938  1.00  1.00           C  
HETATM  106  CG  DBU A   8      -2.582   6.181  -5.114  1.00  1.00           C  
HETATM  107  C   DBU A   8      -4.909   5.939  -2.010  1.00  1.00           C  
HETATM  108  H   DBU A   8      -4.446   3.544  -3.536  1.00  1.00           H  
HETATM  109  HB  DBU A   8      -3.791   7.529  -3.768  1.00  1.00           H  
HETATM  110  HG1 DBU A   8      -2.354   7.090  -5.650  1.00  1.00           H  
HETATM  111  HG2 DBU A   8      -3.065   5.483  -5.781  1.00  1.00           H  
HETATM  112  HG3 DBU A   8      -1.667   5.745  -4.739  1.00  1.00           H  
HETATM  113  N   DCY A   9      -5.402   5.065  -1.171  1.00  1.00           N  
HETATM  114  CA  DCY A   9      -6.274   5.704  -0.173  1.00  1.00           C  
HETATM  115  C   DCY A   9      -6.216   5.061   1.199  1.00  1.00           C  
HETATM  116  O   DCY A   9      -6.307   5.789   2.189  1.00  1.00           O  
HETATM  117  CB  DCY A   9      -5.883   7.177  -0.088  1.00  1.00           C  
HETATM  118  SG  DCY A   9      -5.376   7.589  -1.761  1.00  1.00           S  
HETATM  119  HA  DCY A   9      -7.291   5.651  -0.528  1.00  1.00           H  
HETATM  120  HB2 DCY A   9      -6.734   7.773   0.222  1.00  1.00           H  
HETATM  121  HB3 DCY A   9      -5.052   7.315   0.581  1.00  1.00           H  
HETATM  122  N   TS9 A  10      -6.071   3.739   1.280  1.00  1.00           N  
HETATM  123  CA  TS9 A  10      -6.220   3.038   2.553  1.00  1.00           C  
HETATM  124  C   TS9 A  10      -4.919   3.100   3.360  1.00  1.00           C  
HETATM  125  CB  TS9 A  10      -6.690   1.558   2.329  1.00  1.00           C  
HETATM  126  OG3 TS9 A  10      -5.678   0.852   1.636  1.00  1.00           O  
HETATM  127  CG2 TS9 A  10      -6.971   0.886   3.638  1.00  1.00           C  
HETATM  128  CG1 TS9 A  10      -7.984   1.611   1.440  1.00  1.00           C  
HETATM  129  OD2 TS9 A  10      -8.893   2.496   2.109  1.00  1.00           O  
HETATM  130  CD1 TS9 A  10      -8.679   0.274   1.207  1.00  1.00           C  
HETATM  131  H   TS9 A  10      -5.860   3.227   0.470  1.00  1.00           H  
HETATM  132  HA  TS9 A  10      -6.990   3.556   3.107  1.00  1.00           H  
HETATM  133  HG3 TS9 A  10      -4.915   0.742   2.209  1.00  1.00           H  
HETATM  134 HG21 TS9 A  10      -7.749   1.424   4.160  1.00  1.00           H  
HETATM  135 HG22 TS9 A  10      -6.075   0.877   4.240  1.00  1.00           H  
HETATM  136 HG23 TS9 A  10      -7.293  -0.129   3.461  1.00  1.00           H  
HETATM  137  HG1 TS9 A  10      -7.738   2.032   0.477  1.00  1.00           H  
HETATM  138  HD2 TS9 A  10      -9.673   2.626   1.565  1.00  1.00           H  
HETATM  139 HD11 TS9 A  10      -9.426   0.386   0.435  1.00  1.00           H  
HETATM  140 HD12 TS9 A  10      -9.154  -0.049   2.121  1.00  1.00           H  
HETATM  141 HD13 TS9 A  10      -7.953  -0.461   0.900  1.00  1.00           H  
HETATM  142  N   BB9 A  11      -3.781   2.579   3.013  1.00  1.00           N  
HETATM  143  CA  BB9 A  11      -2.824   2.807   3.948  1.00  1.00           C  
HETATM  144  C   BB9 A  11      -1.450   2.349   3.843  1.00  1.00           C  
HETATM  145  O   BB9 A  11      -0.586   2.573   4.691  1.00  1.00           O  
HETATM  146  CB  BB9 A  11      -3.275   3.554   5.080  1.00  1.00           C  
HETATM  147  SG  BB9 A  11      -4.902   3.917   4.873  1.00  1.00           S  
HETATM  148  HB  BB9 A  11      -2.669   3.837   5.927  1.00  1.00           H  
ATOM    149  N   THR A  12      -1.199   1.650   2.737  1.00  1.00           N  
ATOM    150  CA  THR A  12       0.150   1.159   2.450  1.00  1.00           C  
ATOM    151  C   THR A  12       0.755   1.893   1.268  1.00  1.00           C  
ATOM    152  CB  THR A  12       0.187  -0.361   2.201  1.00  1.00           C  
ATOM    153  OG1 THR A  12      -0.906  -0.777   1.287  1.00  1.00           O  
ATOM    154  CG2 THR A  12       0.006  -1.129   3.490  1.00  1.00           C  
ATOM    155  H   THR A  12      -1.926   1.462   2.108  1.00  1.00           H  
ATOM    156  HA  THR A  12       0.757   1.355   3.320  1.00  1.00           H  
ATOM    157  HB  THR A  12       1.146  -0.628   1.776  1.00  1.00           H  
ATOM    158 HG21 THR A  12      -0.343  -2.125   3.268  1.00  1.00           H  
ATOM    159 HG22 THR A  12      -0.713  -0.621   4.116  1.00  1.00           H  
ATOM    160 HG23 THR A  12       0.956  -1.187   3.999  1.00  1.00           H  
HETATM  161  N   BB9 A  13       1.890   1.595   0.742  1.00  1.00           N  
HETATM  162  CA  BB9 A  13       2.192   2.399  -0.291  1.00  1.00           C  
HETATM  163  C   BB9 A  13       3.483   2.185  -1.017  1.00  1.00           C  
HETATM  164  CB  BB9 A  13       1.200   3.393  -0.573  1.00  1.00           C  
HETATM  165  SG  BB9 A  13      -0.062   3.213   0.531  1.00  1.00           S  
HETATM  166  HB  BB9 A  13       1.252   4.132  -1.358  1.00  1.00           H  
HETATM  167  HC  BB9 A  13       3.529   2.884  -1.840  1.00  1.00           H  
HETATM  168  N   MH6 A  14       4.511   2.527  -0.019  1.00  1.00           N  
HETATM  169  CA  MH6 A  14       5.677   1.985  -0.095  1.00  1.00           C  
HETATM  170  C   MH6 A  14       6.641   2.387   0.953  1.00  1.00           C  
HETATM  171  CB  MH6 A  14       6.151   1.013  -1.094  1.00  1.00           C  
HETATM  172  HB2 MH6 A  14       6.363   0.077  -0.600  1.00  1.00           H  
HETATM  173  HB3 MH6 A  14       7.057   1.380  -1.553  1.00  1.00           H  
HETATM  174  N   BB9 A  15       7.855   1.954   1.008  1.00  1.00           N  
HETATM  175  CA  BB9 A  15       8.525   2.474   2.061  1.00  1.00           C  
HETATM  176  C   BB9 A  15       9.907   2.154   2.353  1.00  1.00           C  
HETATM  177  O   BB9 A  15      10.539   2.609   3.306  1.00  1.00           O  
HETATM  178  CB  BB9 A  15       7.752   3.372   2.864  1.00  1.00           C  
HETATM  179  SG  BB9 A  15       6.204   3.484   2.203  1.00  1.00           S  
HETATM  180  HB  BB9 A  15       8.101   3.889   3.745  1.00  1.00           H  
HETATM  181  N   DHA A  16      10.427   1.303   1.464  1.00  1.00           N  
HETATM  182  CA  DHA A  16      11.808   0.788   1.442  1.00  1.00           C  
HETATM  183  CB  DHA A  16      12.758   1.066   2.325  1.00  1.00           C  
HETATM  184  C   DHA A  16      12.063  -0.094   0.313  1.00  1.00           C  
HETATM  185  O   DHA A  16      11.126  -0.296  -0.458  1.00  1.00           O  
HETATM  186  H   DHA A  16       9.824   0.995   0.755  1.00  1.00           H  
HETATM  187  HB1 DHA A  16      12.552   1.724   3.154  1.00  1.00           H  
HETATM  188  HB2 DHA A  16      13.741   0.634   2.213  1.00  1.00           H  
HETATM  189  N   DHA A  17      13.274  -0.640   0.162  1.00  1.00           N  
HETATM  190  CA  DHA A  17      13.700  -1.536  -0.930  1.00  1.00           C  
HETATM  191  CB  DHA A  17      12.959  -1.905  -1.967  1.00  1.00           C  
HETATM  192  C   DHA A  17      15.066  -2.011  -0.776  1.00  1.00           C  
HETATM  193  O   DHA A  17      15.691  -1.625   0.212  1.00  1.00           O  
HETATM  194  H   DHA A  17      13.940  -0.424   0.847  1.00  1.00           H  
HETATM  195  HB1 DHA A  17      11.947  -1.545  -2.068  1.00  1.00           H  
HETATM  196  HB2 DHA A  17      13.369  -2.569  -2.713  1.00  1.00           H  
HETATM  197  N   NH2 A  18      15.586  -2.829  -1.684  1.00  1.00           N  
HETATM  198  HN1 NH2 A  18      16.507  -3.146  -1.572  1.00  1.00           H  
HETATM  199  HN2 NH2 A  18      15.044  -3.106  -2.451  1.00  1.00           H  
TER     200      NH2 A  18                                                      
ENDMDL                                                                          
CONECT    1    2                                                                
CONECT    2    1    3  153                                                      
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  163                                                                
CONECT   77   82   87                                                           
CONECT   78  171                                                                
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  119                                                 
CONECT  115  114  116  122                                                      
CONECT  116  115                                                                
CONECT  117  114  118  120  121                                                 
CONECT  118  107  117                                                           
CONECT  119  114                                                                
CONECT  120  117                                                                
CONECT  121  117                                                                
CONECT  122  115  123  131                                                      
CONECT  123  122  124  125  132                                                 
CONECT  124  123  142  147                                                      
CONECT  125  123  126  127  128                                                 
CONECT  126  125  133                                                           
CONECT  127  125  134  135  136                                                 
CONECT  128  125  129  130  137                                                 
CONECT  129  128  138                                                           
CONECT  130  128  139  140  141                                                 
CONECT  131  122                                                                
CONECT  132  123                                                                
CONECT  133  126                                                                
CONECT  134  127                                                                
CONECT  135  127                                                                
CONECT  136  127                                                                
CONECT  137  128                                                                
CONECT  138  129                                                                
CONECT  139  130                                                                
CONECT  140  130                                                                
CONECT  141  130                                                                
CONECT  142  124  143                                                           
CONECT  143  142  144  146                                                      
CONECT  144  143  145  149                                                      
CONECT  145  144                                                                
CONECT  146  143  147  148                                                      
CONECT  147  124  146                                                           
CONECT  148  146                                                                
CONECT  149  144                                                                
CONECT  151  161  165                                                           
CONECT  153    2                                                                
CONECT  161  151  162                                                           
CONECT  162  161  163  164                                                      
CONECT  163   76  162  168                                                      
CONECT  164  162  165  166                                                      
CONECT  165  151  164                                                           
CONECT  166  164                                                                
CONECT  168  163  169                                                           
CONECT  169  168  170  171                                                      
CONECT  170  169  174  179                                                      
CONECT  171   78  169  172  173                                                 
CONECT  172  171                                                                
CONECT  173  171                                                                
CONECT  174  170  175                                                           
CONECT  175  174  176  178                                                      
CONECT  176  175  177  181                                                      
CONECT  177  176                                                                
CONECT  178  175  179  180                                                      
CONECT  179  170  178                                                           
CONECT  180  178                                                                
CONECT  181  176  182  186                                                      
CONECT  182  181  183  184                                                      
CONECT  183  182  187  188                                                      
CONECT  184  182  185  189                                                      
CONECT  185  184                                                                
CONECT  186  181                                                                
CONECT  187  183                                                                
CONECT  188  183                                                                
CONECT  189  184  190  194                                                      
CONECT  190  189  191  192                                                      
CONECT  191  190  195  196                                                      
CONECT  192  190  193  197                                                      
CONECT  193  192                                                                
CONECT  194  189                                                                
CONECT  195  191                                                                
CONECT  196  191                                                                
CONECT  197  192  198  199                                                      
CONECT  198  197                                                                
CONECT  199  197                                                                
MASTER      193    0   13    0    0    0    1    6  114    1  137    2          
END