HEADER    VIRAL PROTEIN                           10-MAY-01   1IM7              
TITLE     SOLUTION STRUCTURE OF SYNTHETIC CYCLIC PEPTIDE MIMICKING THE LOOP OF  
TITLE    2 HIV-1 GP41 GLYCOPROTEIN ENVELOPE                                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GP41-PARENT PEPTIDE ACE-ILE-TRP-GLY-CYS-SER-GLY-LYS-LEU-   
COMPND   3 ILE-CYS-THR-THR-ALA;                                                 
COMPND   4 CHAIN: A;                                                            
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMAN               
SOURCE   4 IMMUNODEFICIENCY VIRUS TYPE 1                                        
KEYWDS    CYCLIC PEPTIDE, VIRAL PROTEIN                                         
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    A.PHAN CHAN DU,D.LIMAL,V.SEMETEY,H.DALI,M.JOLIVET,C.DESGRANGES,       
AUTHOR   2 M.T.CUNG,J.P.BRIAND,M.C.PETIT,S.MULLER                               
REVDAT   3   23-FEB-22 1IM7    1       REMARK LINK                              
REVDAT   2   24-FEB-09 1IM7    1       VERSN                                    
REVDAT   1   23-OCT-02 1IM7    0                                                
JRNL        AUTH   A.P.DU,D.LIMAL,V.SEMETEY,H.DALI,M.JOLIVET,C.DESGRANGES,      
JRNL        AUTH 2 M.T.CUNG,J.P.BRIAND,M.C.PETIT,S.MULLER                       
JRNL        TITL   STRUCTURAL AND IMMUNOLOGICAL CHARACTERISATION OF             
JRNL        TITL 2 HETEROCLITIC PEPTIDE ANALOGUES CORRESPONDING TO THE 600-612  
JRNL        TITL 3 REGION OF THE HIV ENVELOPE GP41 GLYCOPROTEIN.                
JRNL        REF    J.MOL.BIOL.                   V. 323   503 2002              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   12381305                                                     
JRNL        DOI    10.1016/S0022-2836(02)00701-5                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XWINNMR 2.6, DYANA 1.5, DISCOVER 3                   
REMARK   3   AUTHORS     : BRUKER BRMH (XWINNMR), GUENTERT P., MUMENTHALER      
REMARK   3                 C.AND WUETHRICH K., (1997) J. MOL. BIOL. 273, 283-   
REMARK   3                 298 (DYANA), MOLECULAR SIMULATION INC., SAN DIEGO    
REMARK   3                 (DISCOVER)                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: 50 INITIAL RANDOM STRUCUTRES WERE         
REMARK   3  PRODUCED USING SIMULATED ANNEALING IN DYANA SOFTWARE.REFINEMENT     
REMARK   3  WAS DONE WITH 500 STEPS RESTRAINED MINIMIZATION , 35PS MD IN        
REMARK   3  VACUO AT 300K FOR EQUILIBRATION AND 200PS MD UNDER NMR              
REMARK   3  RESTRAINTS AND 750 STEPS CONJUGETED GRADIENT EM USING DISCOVER      
REMARK   3  MODULE OF MSI SOFTWARE.                                             
REMARK   4                                                                      
REMARK   4 1IM7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-MAY-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000013406.                                   
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                : 2MM AND 4MM PEPTIDE ; 500 UL       
REMARK 210                                   DMSO-D6                            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY                           
REMARK 210  SPECTROMETER FIELD STRENGTH    : 400 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 2.6, XEASY                 
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS ENERGY      
REMARK 210                                   MINIMISATION                       
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK:                                                              
REMARK 210  THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR         
REMARK 210  TECHNIQUES.                                                         
REMARK 210  NOESY EXPERIMENTS WITH MIXING TIMES FROM 80MS TO 800MS WERE         
REMARK 210  RECCORDED IN ORDER TO DEFINE THE BEST CONDITIONS AVOIDING SPIN      
REMARK 210  DIFFUSION.                                                          
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    TRP A   3       94.62    -67.76                                   
REMARK 500    ILE A  10       75.23   -107.05                                   
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 ACE A 1                   
DBREF  1IM7 A    2    14  UNP    P12488   ENV_HV1BN      591    603             
SEQRES   1 A   14  ACE ILE TRP GLY CYS SER GLY LYS LEU ILE CYS THR THR          
SEQRES   2 A   14  ALA                                                          
HET    ACE  A   1       6                                                       
HETNAM     ACE ACETYL GROUP                                                     
FORMUL   1  ACE    C2 H4 O                                                      
SSBOND   1 CYS A    5    CYS A   11                          1555   1555  2.10  
LINK         C   ACE A   1                 N   ILE A   2     1555   1555  1.33  
SITE     1 AC1  1 TRP A   3                                                     
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                         
HETATM    1  C   ACE A   1       0.890   1.853  -0.514  1.00  0.00           C  
HETATM    2  O   ACE A   1       0.749   2.478  -1.564  1.00  0.00           O  
HETATM    3  CH3 ACE A   1       0.890   0.363  -0.514  1.00  0.00           C  
HETATM    4  H1  ACE A   1       0.000   0.000   0.000  1.00  0.00           H  
HETATM    5  H2  ACE A   1       0.890   0.000  -1.542  1.00  0.00           H  
HETATM    6  H3  ACE A   1       1.780   0.000   0.000  1.00  0.00           H  
ATOM      7  N   ILE A   2       1.050   2.413   0.676  1.00  0.00           N  
ATOM      8  CA  ILE A   2       1.060   3.858   0.828  1.00  0.00           C  
ATOM      9  C   ILE A   2       2.506   4.345   0.941  1.00  0.00           C  
ATOM     10  O   ILE A   2       3.107   4.274   2.012  1.00  0.00           O  
ATOM     11  CB  ILE A   2       0.176   4.280   2.003  1.00  0.00           C  
ATOM     12  CG1 ILE A   2      -0.082   5.788   1.982  1.00  0.00           C  
ATOM     13  CG2 ILE A   2       0.776   3.819   3.333  1.00  0.00           C  
ATOM     14  CD1 ILE A   2       1.228   6.570   2.106  1.00  0.00           C  
ATOM     15  H   ILE A   2       1.170   1.898   1.525  1.00  0.00           H  
ATOM     16  HA  ILE A   2       0.622   4.285  -0.074  1.00  0.00           H  
ATOM     17  HB  ILE A   2      -0.790   3.787   1.898  1.00  0.00           H  
ATOM     18 HG12 ILE A   2      -0.587   6.061   1.056  1.00  0.00           H  
ATOM     19 HG13 ILE A   2      -0.749   6.058   2.801  1.00  0.00           H  
ATOM     20 HG21 ILE A   2       1.451   2.982   3.157  1.00  0.00           H  
ATOM     21 HG22 ILE A   2       1.328   4.642   3.787  1.00  0.00           H  
ATOM     22 HG23 ILE A   2      -0.025   3.506   4.004  1.00  0.00           H  
ATOM     23 HD11 ILE A   2       1.598   6.817   1.111  1.00  0.00           H  
ATOM     24 HD12 ILE A   2       1.052   7.488   2.666  1.00  0.00           H  
ATOM     25 HD13 ILE A   2       1.966   5.961   2.628  1.00  0.00           H  
ATOM     26  N   TRP A   3       3.024   4.827  -0.179  1.00  0.00           N  
ATOM     27  CA  TRP A   3       4.392   5.316  -0.222  1.00  0.00           C  
ATOM     28  C   TRP A   3       4.467   6.585   0.629  1.00  0.00           C  
ATOM     29  O   TRP A   3       4.181   7.679   0.144  1.00  0.00           O  
ATOM     30  CB  TRP A   3       4.851   5.534  -1.665  1.00  0.00           C  
ATOM     31  CG  TRP A   3       5.558   4.327  -2.283  1.00  0.00           C  
ATOM     32  CD1 TRP A   3       6.858   4.193  -2.576  1.00  0.00           C  
ATOM     33  CD2 TRP A   3       4.945   3.080  -2.675  1.00  0.00           C  
ATOM     34  NE1 TRP A   3       7.128   2.956  -3.126  1.00  0.00           N  
ATOM     35  CE2 TRP A   3       5.928   2.258  -3.188  1.00  0.00           C  
ATOM     36  CE3 TRP A   3       3.605   2.660  -2.598  1.00  0.00           C  
ATOM     37  CZ2 TRP A   3       5.675   0.965  -3.664  1.00  0.00           C  
ATOM     38  CZ3 TRP A   3       3.369   1.367  -3.078  1.00  0.00           C  
ATOM     39  CH2 TRP A   3       4.347   0.526  -3.597  1.00  0.00           C  
ATOM     40  H   TRP A   3       2.526   4.888  -1.045  1.00  0.00           H  
ATOM     41  HA  TRP A   3       5.034   4.544   0.202  1.00  0.00           H  
ATOM     42  HB2 TRP A   3       3.985   5.788  -2.276  1.00  0.00           H  
ATOM     43  HB3 TRP A   3       5.524   6.391  -1.695  1.00  0.00           H  
ATOM     44  HD1 TRP A   3       7.609   4.964  -2.403  1.00  0.00           H  
ATOM     45  HE1 TRP A   3       8.103   2.593  -3.452  1.00  0.00           H  
ATOM     46  HE3 TRP A   3       2.811   3.291  -2.197  1.00  0.00           H  
ATOM     47  HZ2 TRP A   3       6.469   0.335  -4.064  1.00  0.00           H  
ATOM     48  HZ3 TRP A   3       2.346   0.992  -3.042  1.00  0.00           H  
ATOM     49  HH2 TRP A   3       4.082  -0.470  -3.951  1.00  0.00           H  
ATOM     50  N   GLY A   4       4.855   6.397   1.882  1.00  0.00           N  
ATOM     51  CA  GLY A   4       5.036   7.521   2.785  1.00  0.00           C  
ATOM     52  C   GLY A   4       6.041   7.181   3.887  1.00  0.00           C  
ATOM     53  O   GLY A   4       5.709   6.478   4.841  1.00  0.00           O  
ATOM     54  H   GLY A   4       5.043   5.500   2.280  1.00  0.00           H  
ATOM     55  HA2 GLY A   4       5.384   8.389   2.226  1.00  0.00           H  
ATOM     56  HA3 GLY A   4       4.079   7.791   3.232  1.00  0.00           H  
ATOM     57  N   CYS A   5       7.251   7.695   3.720  1.00  0.00           N  
ATOM     58  CA  CYS A   5       8.308   7.453   4.687  1.00  0.00           C  
ATOM     59  C   CYS A   5       8.328   8.617   5.680  1.00  0.00           C  
ATOM     60  O   CYS A   5       8.993   9.625   5.446  1.00  0.00           O  
ATOM     61  CB  CYS A   5       9.664   7.260   4.006  1.00  0.00           C  
ATOM     62  SG  CYS A   5       9.760   5.822   2.879  1.00  0.00           S  
ATOM     63  H   CYS A   5       7.512   8.268   2.943  1.00  0.00           H  
ATOM     64  HA  CYS A   5       8.062   6.518   5.192  1.00  0.00           H  
ATOM     65  HB2 CYS A   5       9.903   8.162   3.443  1.00  0.00           H  
ATOM     66  HB3 CYS A   5      10.429   7.152   4.776  1.00  0.00           H  
ATOM     67  N   SER A   6       7.590   8.439   6.766  1.00  0.00           N  
ATOM     68  CA  SER A   6       7.586   9.422   7.836  1.00  0.00           C  
ATOM     69  C   SER A   6       7.965   8.756   9.160  1.00  0.00           C  
ATOM     70  O   SER A   6       7.097   8.286   9.895  1.00  0.00           O  
ATOM     71  CB  SER A   6       6.219  10.099   7.956  1.00  0.00           C  
ATOM     72  OG  SER A   6       6.304  11.362   8.610  1.00  0.00           O  
ATOM     73  H   SER A   6       7.006   7.643   6.921  1.00  0.00           H  
ATOM     74  HA  SER A   6       8.333  10.162   7.552  1.00  0.00           H  
ATOM     75  HB2 SER A   6       5.793  10.234   6.962  1.00  0.00           H  
ATOM     76  HB3 SER A   6       5.539   9.450   8.508  1.00  0.00           H  
ATOM     77  HG  SER A   6       5.917  12.076   8.027  1.00  0.00           H  
ATOM     78  N   GLY A   7       9.263   8.736   9.425  1.00  0.00           N  
ATOM     79  CA  GLY A   7       9.765   8.174  10.667  1.00  0.00           C  
ATOM     80  C   GLY A   7       9.677   6.646  10.654  1.00  0.00           C  
ATOM     81  O   GLY A   7       8.991   6.053  11.485  1.00  0.00           O  
ATOM     82  H   GLY A   7       9.965   9.094   8.809  1.00  0.00           H  
ATOM     83  HA2 GLY A   7      10.801   8.480  10.817  1.00  0.00           H  
ATOM     84  HA3 GLY A   7       9.192   8.567  11.507  1.00  0.00           H  
ATOM     85  N   LYS A   8      10.381   6.053   9.700  1.00  0.00           N  
ATOM     86  CA  LYS A   8      10.244   4.630   9.445  1.00  0.00           C  
ATOM     87  C   LYS A   8      11.568   4.082   8.909  1.00  0.00           C  
ATOM     88  O   LYS A   8      11.934   4.343   7.764  1.00  0.00           O  
ATOM     89  CB  LYS A   8       9.051   4.363   8.525  1.00  0.00           C  
ATOM     90  CG  LYS A   8       7.729   4.580   9.263  1.00  0.00           C  
ATOM     91  CD  LYS A   8       6.546   4.541   8.294  1.00  0.00           C  
ATOM     92  CE  LYS A   8       5.236   4.870   9.013  1.00  0.00           C  
ATOM     93  NZ  LYS A   8       4.112   4.906   8.051  1.00  0.00           N  
ATOM     94  H   LYS A   8      11.033   6.528   9.110  1.00  0.00           H  
ATOM     95  HA  LYS A   8      10.030   4.146  10.398  1.00  0.00           H  
ATOM     96  HB2 LYS A   8       9.100   5.022   7.658  1.00  0.00           H  
ATOM     97  HB3 LYS A   8       9.098   3.341   8.149  1.00  0.00           H  
ATOM     98  HG2 LYS A   8       7.604   3.811  10.026  1.00  0.00           H  
ATOM     99  HG3 LYS A   8       7.750   5.540   9.779  1.00  0.00           H  
ATOM    100  HD2 LYS A   8       6.710   5.253   7.485  1.00  0.00           H  
ATOM    101  HD3 LYS A   8       6.477   3.553   7.839  1.00  0.00           H  
ATOM    102  HE2 LYS A   8       5.040   4.124   9.783  1.00  0.00           H  
ATOM    103  HE3 LYS A   8       5.323   5.833   9.517  1.00  0.00           H  
ATOM    104  HZ1 LYS A   8       4.356   5.400   7.200  1.00  0.00           H  
ATOM    105  HZ2 LYS A   8       3.817   3.976   7.777  1.00  0.00           H  
ATOM    106  N   LEU A   9      12.251   3.334   9.763  1.00  0.00           N  
ATOM    107  CA  LEU A   9      13.418   2.582   9.333  1.00  0.00           C  
ATOM    108  C   LEU A   9      13.022   1.646   8.189  1.00  0.00           C  
ATOM    109  O   LEU A   9      13.769   1.489   7.224  1.00  0.00           O  
ATOM    110  CB  LEU A   9      14.061   1.864  10.521  1.00  0.00           C  
ATOM    111  CG  LEU A   9      15.538   2.175  10.773  1.00  0.00           C  
ATOM    112  CD1 LEU A   9      16.132   1.213  11.803  1.00  0.00           C  
ATOM    113  CD2 LEU A   9      16.329   2.175   9.464  1.00  0.00           C  
ATOM    114  H   LEU A   9      12.019   3.237  10.731  1.00  0.00           H  
ATOM    115  HA  LEU A   9      14.147   3.299   8.956  1.00  0.00           H  
ATOM    116  HB2 LEU A   9      13.498   2.116  11.420  1.00  0.00           H  
ATOM    117  HB3 LEU A   9      13.957   0.790  10.371  1.00  0.00           H  
ATOM    118  HG  LEU A   9      15.609   3.179  11.192  1.00  0.00           H  
ATOM    119 HD11 LEU A   9      16.136   1.687  12.784  1.00  0.00           H  
ATOM    120 HD12 LEU A   9      15.531   0.304  11.841  1.00  0.00           H  
ATOM    121 HD13 LEU A   9      17.154   0.961  11.517  1.00  0.00           H  
ATOM    122 HD21 LEU A   9      17.072   1.377   9.488  1.00  0.00           H  
ATOM    123 HD22 LEU A   9      15.649   2.013   8.628  1.00  0.00           H  
ATOM    124 HD23 LEU A   9      16.831   3.135   9.343  1.00  0.00           H  
ATOM    125  N   ILE A  10      11.849   1.048   8.335  1.00  0.00           N  
ATOM    126  CA  ILE A  10      11.402   0.037   7.392  1.00  0.00           C  
ATOM    127  C   ILE A  10      10.292   0.620   6.515  1.00  0.00           C  
ATOM    128  O   ILE A  10       9.118   0.303   6.701  1.00  0.00           O  
ATOM    129  CB  ILE A  10      10.997  -1.241   8.128  1.00  0.00           C  
ATOM    130  CG1 ILE A  10      10.657  -2.359   7.140  1.00  0.00           C  
ATOM    131  CG2 ILE A  10       9.850  -0.971   9.104  1.00  0.00           C  
ATOM    132  CD1 ILE A  10       9.255  -2.170   6.558  1.00  0.00           C  
ATOM    133  H   ILE A  10      11.211   1.244   9.079  1.00  0.00           H  
ATOM    134  HA  ILE A  10      12.250  -0.213   6.755  1.00  0.00           H  
ATOM    135  HB  ILE A  10      11.848  -1.580   8.718  1.00  0.00           H  
ATOM    136 HG12 ILE A  10      11.391  -2.371   6.334  1.00  0.00           H  
ATOM    137 HG13 ILE A  10      10.719  -3.324   7.642  1.00  0.00           H  
ATOM    138 HG21 ILE A  10       9.159  -1.815   9.096  1.00  0.00           H  
ATOM    139 HG22 ILE A  10      10.251  -0.841  10.109  1.00  0.00           H  
ATOM    140 HG23 ILE A  10       9.322  -0.066   8.804  1.00  0.00           H  
ATOM    141 HD11 ILE A  10       8.844  -3.139   6.279  1.00  0.00           H  
ATOM    142 HD12 ILE A  10       8.612  -1.703   7.304  1.00  0.00           H  
ATOM    143 HD13 ILE A  10       9.311  -1.531   5.676  1.00  0.00           H  
ATOM    144  N   CYS A  11      10.702   1.462   5.578  1.00  0.00           N  
ATOM    145  CA  CYS A  11       9.762   2.059   4.644  1.00  0.00           C  
ATOM    146  C   CYS A  11      10.291   1.841   3.225  1.00  0.00           C  
ATOM    147  O   CYS A  11      10.348   2.778   2.430  1.00  0.00           O  
ATOM    148  CB  CYS A  11       9.529   3.540   4.945  1.00  0.00           C  
ATOM    149  SG  CYS A  11       8.463   4.410   3.739  1.00  0.00           S  
ATOM    150  H   CYS A  11      11.655   1.737   5.451  1.00  0.00           H  
ATOM    151  HA  CYS A  11       8.811   1.545   4.786  1.00  0.00           H  
ATOM    152  HB2 CYS A  11       9.080   3.629   5.935  1.00  0.00           H  
ATOM    153  HB3 CYS A  11      10.494   4.045   4.986  1.00  0.00           H  
ATOM    154  N   THR A  12      10.665   0.600   2.951  1.00  0.00           N  
ATOM    155  CA  THR A  12      10.999   0.201   1.594  1.00  0.00           C  
ATOM    156  C   THR A  12      10.127  -0.977   1.155  1.00  0.00           C  
ATOM    157  O   THR A  12      10.312  -2.099   1.625  1.00  0.00           O  
ATOM    158  CB  THR A  12      12.498  -0.100   1.545  1.00  0.00           C  
ATOM    159  OG1 THR A  12      13.087   0.944   2.316  1.00  0.00           O  
ATOM    160  CG2 THR A  12      13.088   0.092   0.146  1.00  0.00           C  
ATOM    161  H   THR A  12      10.742  -0.125   3.635  1.00  0.00           H  
ATOM    162  HA  THR A  12      10.772   1.033   0.926  1.00  0.00           H  
ATOM    163  HB  THR A  12      12.706  -1.101   1.921  1.00  0.00           H  
ATOM    164  HG1 THR A  12      14.029   1.099   2.019  1.00  0.00           H  
ATOM    165 HG21 THR A  12      12.447  -0.394  -0.589  1.00  0.00           H  
ATOM    166 HG22 THR A  12      13.153   1.157  -0.078  1.00  0.00           H  
ATOM    167 HG23 THR A  12      14.084  -0.349   0.108  1.00  0.00           H  
ATOM    168  N   THR A  13       9.197  -0.682   0.259  1.00  0.00           N  
ATOM    169  CA  THR A  13       8.265  -1.693  -0.212  1.00  0.00           C  
ATOM    170  C   THR A  13       8.227  -1.711  -1.741  1.00  0.00           C  
ATOM    171  O   THR A  13       7.463  -0.969  -2.356  1.00  0.00           O  
ATOM    172  CB  THR A  13       6.903  -1.414   0.426  1.00  0.00           C  
ATOM    173  OG1 THR A  13       7.219  -0.733   1.637  1.00  0.00           O  
ATOM    174  CG2 THR A  13       6.201  -2.692   0.890  1.00  0.00           C  
ATOM    175  H   THR A  13       9.074   0.226  -0.141  1.00  0.00           H  
ATOM    176  HA  THR A  13       8.625  -2.670   0.111  1.00  0.00           H  
ATOM    177  HB  THR A  13       6.266  -0.844  -0.250  1.00  0.00           H  
ATOM    178  HG1 THR A  13       7.756   0.087   1.438  1.00  0.00           H  
ATOM    179 HG21 THR A  13       6.706  -3.084   1.773  1.00  0.00           H  
ATOM    180 HG22 THR A  13       5.162  -2.468   1.134  1.00  0.00           H  
ATOM    181 HG23 THR A  13       6.234  -3.435   0.093  1.00  0.00           H  
ATOM    182  N   ALA A  14       9.062  -2.568  -2.311  1.00  0.00           N  
ATOM    183  CA  ALA A  14       9.071  -2.758  -3.752  1.00  0.00           C  
ATOM    184  C   ALA A  14       8.611  -4.181  -4.077  1.00  0.00           C  
ATOM    185  O   ALA A  14       9.387  -5.129  -3.967  1.00  0.00           O  
ATOM    186  CB  ALA A  14      10.468  -2.458  -4.298  1.00  0.00           C  
ATOM    187  H   ALA A  14       9.722  -3.126  -1.808  1.00  0.00           H  
ATOM    188  HA  ALA A  14       8.365  -2.049  -4.185  1.00  0.00           H  
ATOM    189  HB1 ALA A  14      10.448  -1.521  -4.854  1.00  0.00           H  
ATOM    190  HB2 ALA A  14      11.172  -2.373  -3.469  1.00  0.00           H  
ATOM    191  HB3 ALA A  14      10.781  -3.267  -4.959  1.00  0.00           H  
TER     192      ALA A  14                                                      
CONECT    1    2    3    7                                                      
CONECT    2    1                                                                
CONECT    3    1    4    5    6                                                 
CONECT    4    3                                                                
CONECT    5    3                                                                
CONECT    6    3                                                                
CONECT    7    1                                                                
CONECT   62  149                                                                
CONECT  149   62                                                                
MASTER      102    0    1    0    0    0    1    6   95    1    9    2          
END