HEADER    DNA BINDING PROTEIN                     19-JUL-19   6PV3              
TITLE     BACKBONE-MODIFIED VARIANT OF ZINC FINGER 2 FROM THE TRANSCRIPTION     
TITLE    2 FACTOR SP1 DNA BINDING DOMAIN: ALTERED HELIX, LOOP, TURN, AND SHEET  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TRANSCRIPTION FACTOR SP1;                                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: DNA-BINDING DOMAIN, ZINC FINGER 2 RESIDUES 654-684;        
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
SOURCE   5 ORGANISM_TAXID: 9606                                                 
KEYWDS    ZINC FINGER, PROTEOMIMETIC, FOLDAMER, DNA BINDING PROTEIN             
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    S.R.RAO,W.S.HORNE                                                     
REVDAT   4   15-NOV-23 6PV3    1       LINK   ATOM                              
REVDAT   3   14-JUN-23 6PV3    1       REMARK                                   
REVDAT   2   31-MAR-21 6PV3    1       JRNL                                     
REVDAT   1   24-JUN-20 6PV3    0                                                
JRNL        AUTH   S.R.RAO,W.S.HORNE                                            
JRNL        TITL   PROTEOMIMETIC ZINC FINGER DOMAINS WITH MODIFIED              
JRNL        TITL 2 METAL-BINDING BETA-TURNS.                                    
JRNL        REF    PEPT SCI (HOBOKEN)            V. 112       2020              
JRNL        REFN                   ISSN 2475-8817                               
JRNL        PMID   33733039                                                     
JRNL        DOI    10.1002/PEP2.24177                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ARIA                                                 
REMARK   3   AUTHORS     : LINGE, O'DONOGHUE AND NILGES                         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6PV3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUL-19.                  
REMARK 100 THE DEPOSITION ID IS D_1000243151.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6                                  
REMARK 210  IONIC STRENGTH                 : 10                                 
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 1.2 MM ZINC FINGER 2 FROM          
REMARK 210                                   TRANSCRIPTION FACTOR SP1 DNA-      
REMARK 210                                   BINDING DOMAIN, FULLY MODIFIED     
REMARK 210                                   VARIANT, 10 MM [U-2H] TRIS, 0.05   
REMARK 210                                   MM DSS, 1.8 MM ZINC CHLORIDE, 90%  
REMARK 210                                   H2O/10% D2O                        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-1H COSY;     
REMARK 210                                   2D 1H-1H NOESY                     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 700 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : TOPSPIN, SPARKY, ARIA              
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  1 B3T A  27   CA  -  C   -  N   ANGL. DEV. =  20.9 DEGREES          
REMARK 500  2 B3T A  27   CA  -  C   -  N   ANGL. DEV. =  23.9 DEGREES          
REMARK 500  3 B3T A  27   CA  -  C   -  N   ANGL. DEV. =  22.0 DEGREES          
REMARK 500  4 B3T A  27   CA  -  C   -  N   ANGL. DEV. =  33.6 DEGREES          
REMARK 500  5 B3T A  27   CA  -  C   -  N   ANGL. DEV. =  33.7 DEGREES          
REMARK 500  6 B3T A  27   CA  -  C   -  N   ANGL. DEV. =  20.3 DEGREES          
REMARK 500  8 B3T A  27   CA  -  C   -  N   ANGL. DEV. =  27.5 DEGREES          
REMARK 500 10 B3T A  27   CA  -  C   -  N   ANGL. DEV. =  34.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 THR A   5       47.64    -93.87                                   
REMARK 500  1 HMR A  21      -58.65     -7.98                                   
REMARK 500  1 HMR A  24      -55.44     11.66                                   
REMARK 500  1 B3T A  27     -123.63    -70.57                                   
REMARK 500  2 AIB A   7      105.34    -52.15                                   
REMARK 500  2 HMR A  21      -59.67    -16.40                                   
REMARK 500  2 HMR A  24      -50.66      7.10                                   
REMARK 500  2 B3T A  27     -109.71    -82.35                                   
REMARK 500  3 HMR A  21      -62.71     -6.66                                   
REMARK 500  3 HMR A  24      -52.55      9.67                                   
REMARK 500  4 AIB A   7      105.72    -53.18                                   
REMARK 500  4 HMR A  21      -53.89     -8.99                                   
REMARK 500  4 HMR A  24      -58.38     13.19                                   
REMARK 500  5 THR A   5       19.25     58.67                                   
REMARK 500  5 HMR A  21      -51.09     -4.77                                   
REMARK 500  5 HMR A  24      -44.30      6.77                                   
REMARK 500  6 THR A   5       42.97    -92.95                                   
REMARK 500  6 HMR A  21      -58.33     -4.54                                   
REMARK 500  6 HMR A  24      -52.01      2.44                                   
REMARK 500  6 B3T A  27     -127.15    -79.17                                   
REMARK 500  7 THR A   5       38.84    -94.21                                   
REMARK 500  7 AIB A   7      103.80    -55.68                                   
REMARK 500  7 HMR A  21      -50.08    -11.16                                   
REMARK 500  7 HMR A  24      -51.39      9.89                                   
REMARK 500  7 HIS A  26      -62.83   -104.58                                   
REMARK 500  7 B3T A  27     -121.75   -104.40                                   
REMARK 500  8 CYS A   4       95.77    -67.85                                   
REMARK 500  8 THR A   5       46.76    -93.39                                   
REMARK 500  8 AIB A   7      104.27    -53.05                                   
REMARK 500  8 HMR A  21      -59.12     -8.18                                   
REMARK 500  8 HMR A  24      -50.39      9.64                                   
REMARK 500  8 B3T A  27      -97.09    -71.49                                   
REMARK 500  9 CYS A   9     -169.70   -116.54                                   
REMARK 500  9 HMR A  21      -52.16     -3.67                                   
REMARK 500  9 HMR A  24      -53.58     12.02                                   
REMARK 500  9 B3T A  27       34.87    -69.15                                   
REMARK 500 10 THR A   5       14.20     55.73                                   
REMARK 500 10 CYS A   9      -74.76    -92.68                                   
REMARK 500 10 HMR A  21      -58.87     -0.69                                   
REMARK 500 10 HMR A  24      -43.48      5.61                                   
REMARK 500 10 B3T A  27      -60.56    -91.19                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 B3D A   17     GLU A   18          1       144.64                    
REMARK 500 GLN A   20     HMR A   21          1       137.60                    
REMARK 500 LYS A   23     HMR A   24          1       135.09                    
REMARK 500 B3T A   27     GLY A   28          1      -146.19                    
REMARK 500 B3D A   17     GLU A   18          2       144.24                    
REMARK 500 GLN A   20     HMR A   21          2       138.55                    
REMARK 500 LYS A   23     HMR A   24          2       135.16                    
REMARK 500 B3T A   27     GLY A   28          2      -147.57                    
REMARK 500 B3D A   17     GLU A   18          3       145.66                    
REMARK 500 GLN A   20     HMR A   21          3       137.50                    
REMARK 500 LYS A   23     HMR A   24          3       133.99                    
REMARK 500 B3T A   27     GLY A   28          3       145.55                    
REMARK 500 B3D A   17     GLU A   18          4       140.66                    
REMARK 500 GLN A   20     HMR A   21          4       137.64                    
REMARK 500 LYS A   23     HMR A   24          4       136.38                    
REMARK 500 B3D A   17     GLU A   18          5       146.34                    
REMARK 500 GLN A   20     HMR A   21          5       137.23                    
REMARK 500 LYS A   23     HMR A   24          5       136.46                    
REMARK 500 B3D A   17     GLU A   18          6       141.31                    
REMARK 500 GLN A   20     HMR A   21          6       138.39                    
REMARK 500 LYS A   23     HMR A   24          6       136.72                    
REMARK 500 B3T A   27     GLY A   28          6      -142.48                    
REMARK 500 B3D A   17     GLU A   18          7       139.82                    
REMARK 500 GLN A   20     HMR A   21          7       137.57                    
REMARK 500 LYS A   23     HMR A   24          7       133.72                    
REMARK 500 B3T A   27     GLY A   28          7      -138.34                    
REMARK 500 B3D A   17     GLU A   18          8       144.91                    
REMARK 500 GLN A   20     HMR A   21          8       137.54                    
REMARK 500 LYS A   23     HMR A   24          8       135.90                    
REMARK 500 B3D A   17     GLU A   18          9       141.92                    
REMARK 500 GLN A   20     HMR A   21          9       137.34                    
REMARK 500 LYS A   23     HMR A   24          9       135.59                    
REMARK 500 B3T A   27     GLY A   28          9       139.57                    
REMARK 500 B3D A   17     GLU A   18         10       143.17                    
REMARK 500 GLN A   20     HMR A   21         10       137.27                    
REMARK 500 LYS A   23     HMR A   24         10       135.27                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500  1 B3D A  17        -19.25                                           
REMARK 500  1 B3T A  27         18.58                                           
REMARK 500  2 B3D A  17        -19.57                                           
REMARK 500  2 B3T A  27         18.07                                           
REMARK 500  3 B3D A  17        -19.20                                           
REMARK 500  3 B3T A  27        -17.58                                           
REMARK 500  4 B3D A  17        -18.99                                           
REMARK 500  5 B3D A  17        -18.99                                           
REMARK 500  6 B3D A  17        -19.00                                           
REMARK 500  6 B3T A  27         19.01                                           
REMARK 500  7 B3D A  17        -18.89                                           
REMARK 500  7 B3T A  27         18.97                                           
REMARK 500  8 B3D A  17        -18.77                                           
REMARK 500  8 B3T A  27         16.04                                           
REMARK 500  9 B3D A  17        -18.53                                           
REMARK 500  9 B3T A  27        -19.18                                           
REMARK 500 10 B3D A  17        -18.43                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 101  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   4   SG                                                     
REMARK 620 2 CYS A   9   SG  109.8                                              
REMARK 620 3 HIS A  22   NE2 108.8 110.5                                        
REMARK 620 4 HIS A  26   NE2 106.7 112.0 108.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 101                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1VA2   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF NATIVE SEQUENCE                                         
REMARK 900 RELATED ID: 1SP2   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF NATIVE SEQUENCE                                         
REMARK 900 RELATED ID: 30644   RELATED DB: BMRB                                 
REMARK 900 BACKBONE-MODIFIED VARIANT OF ZINC FINGER 2 FROM THE TRANSCRIPTION    
REMARK 900 FACTOR SP1 DNA BINDING DOMAIN: ALTERED HELIX, LOOP, TURN, AND SHEET  
DBREF  6PV3 A    1    30  UNP    P08047   SP1_HUMAN      655    684             
SEQADV 6PV3 9KK A    3  UNP  P08047    MET   657 CONFLICT                       
SEQADV 6PV3 AIB A    7  UNP  P08047    SER   661 CONFLICT                       
SEQADV 6PV3 GLY A    8  UNP  P08047    TYR   662 CONFLICT                       
SEQADV 6PV3 B3T A   27  UNP  P08047    THR   681 CONFLICT                       
SEQADV 6PV3 NH2 A   31  UNP  P08047              AMIDATION                      
SEQRES   1 A   31  PRO PHE 9KK CYS THR TRP AIB GLY CYS GLY LYS MMO PHE          
SEQRES   2 A   31  THR ARG SER B3D GLU LEU GLN HMR HIS LYS HMR THR HIS          
SEQRES   3 A   31  B3T GLY GLU LYS NH2                                          
MODRES 6PV3 MMO A   12  ARG  MODIFIED RESIDUE                                   
MODRES 6PV3 B3D A   17  ASP  MODIFIED RESIDUE                                   
MODRES 6PV3 HMR A   21  ARG  MODIFIED RESIDUE                                   
MODRES 6PV3 HMR A   24  ARG  MODIFIED RESIDUE                                   
HET    9KK  A   3      22                                                       
HET    AIB  A   7      13                                                       
HET    MMO  A  12      27                                                       
HET    B3D  A  17      15                                                       
HET    HMR  A  21      27                                                       
HET    HMR  A  24      27                                                       
HET    B3T  A  27      17                                                       
HET    NH2  A  31       3                                                       
HET     ZN  A 101       1                                                       
HETNAM     9KK N-METHYL NORLEUCINE                                              
HETNAM     AIB ALPHA-AMINOISOBUTYRIC ACID                                       
HETNAM     MMO N~2~-METHYL-L-ARGININE                                           
HETNAM     B3D 3-AMINOPENTANEDIOIC ACID                                         
HETNAM     HMR BETA-HOMOARGININE                                                
HETNAM     B3T 3-AMINO-2,3,5-TRIDEOXY-D-THREO-PENTONIC ACID                     
HETNAM     NH2 AMINO GROUP                                                      
HETNAM      ZN ZINC ION                                                         
HETSYN     B3D BETA-HOMOASPARTATE                                               
FORMUL   1  9KK    C7 H15 N O2                                                  
FORMUL   1  AIB    C4 H9 N O2                                                   
FORMUL   1  MMO    C7 H16 N4 O2                                                 
FORMUL   1  B3D    C5 H9 N O4                                                   
FORMUL   1  HMR    2(C7 H16 N4 O2)                                              
FORMUL   1  B3T    C5 H11 N O3                                                  
FORMUL   1  NH2    H2 N                                                         
FORMUL   2   ZN    ZN 2+                                                        
HELIX    1 AA1 ARG A   15  B3T A   27  1                                  13    
SHEET    1 AA1 2 PHE A   2  9KK A   3  0                                        
SHEET    2 AA1 2 MMO A  12  PHE A  13 -1  O  PHE A  13   N  PHE A   2           
LINK         C   PHE A   2                 N   9KK A   3     1555   1555  1.34  
LINK         C   9KK A   3                 N   CYS A   4     1555   1555  1.32  
LINK         C   TRP A   6                 N   AIB A   7     1555   1555  1.33  
LINK         C   AIB A   7                 N   GLY A   8     1555   1555  1.33  
LINK         C   LYS A  11                 N   MMO A  12     1555   1555  1.35  
LINK         C   MMO A  12                 N   PHE A  13     1555   1555  1.32  
LINK         C   SER A  16                 N   B3D A  17     1555   1555  1.33  
LINK         C   B3D A  17                 N   GLU A  18     1555   1555  1.33  
LINK         C   GLN A  20                 N   HMR A  21     1555   1555  1.33  
LINK         C   HMR A  21                 N   HIS A  22     1555   1555  1.32  
LINK         C   LYS A  23                 N   HMR A  24     1555   1555  1.32  
LINK         C   HMR A  24                 N   THR A  25     1555   1555  1.33  
LINK         C   HIS A  26                 N   B3T A  27     1555   1555  1.33  
LINK         C   B3T A  27                 N   GLY A  28     1555   1555  1.33  
LINK         C   LYS A  30                 N   NH2 A  31     1555   1555  1.32  
LINK         SG  CYS A   4                ZN    ZN A 101     1555   1555  2.29  
LINK         SG  CYS A   9                ZN    ZN A 101     1555   1555  2.30  
LINK         NE2 HIS A  22                ZN    ZN A 101     1555   1555  1.99  
LINK         NE2 HIS A  26                ZN    ZN A 101     1555   1555  2.00  
SITE     1 AC1  4 CYS A   4  CYS A   9  HIS A  22  HIS A  26                    
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
ATOM      1  N   PRO A   1     -11.385   0.526   4.178  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.332   0.118   3.223  1.00  0.45           C  
ATOM      3  C   PRO A   1      -8.953   0.347   3.821  1.00  0.37           C  
ATOM      4  O   PRO A   1      -8.824   0.847   4.938  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -10.490   0.917   1.941  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -11.866   1.467   2.051  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -12.143   1.617   3.528  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -10.882   0.759   5.054  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -11.881  -0.364   4.418  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -10.451  -0.933   3.009  1.00  1.10           H  
ATOM     11  HB2 PRO A   1      -9.744   1.699   1.901  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -10.392   0.266   1.085  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -11.920   2.428   1.560  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -12.569   0.780   1.608  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -11.795   2.579   3.877  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -13.199   1.510   3.721  1.00  1.32           H  
ATOM     17  N   PHE A   2      -7.926  -0.033   3.079  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -6.557   0.128   3.526  1.00  0.26           C  
ATOM     19  C   PHE A   2      -5.880   1.209   2.695  1.00  0.26           C  
ATOM     20  O   PHE A   2      -5.760   1.069   1.479  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -5.792  -1.189   3.391  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.476  -2.351   4.052  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -7.291  -3.200   3.319  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.306  -2.591   5.404  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -7.922  -4.268   3.924  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -6.935  -3.658   6.014  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -7.745  -4.497   5.274  1.00  0.35           C  
ATOM     28  H   PHE A   2      -8.093  -0.422   2.192  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -6.574   0.428   4.561  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -5.673  -1.423   2.344  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -4.818  -1.076   3.844  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -7.430  -3.021   2.262  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -5.674  -1.934   5.982  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -8.552  -4.923   3.342  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -6.795  -3.837   7.070  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -8.237  -5.331   5.748  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.436   2.303   3.322  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -5.763   8.363   2.094  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -6.180   7.085   2.785  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -5.283   5.938   2.354  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -5.660   4.644   3.055  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -4.879   3.424   2.556  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -5.486   2.372   4.799  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.383   3.611   2.770  1.00  0.39           C  
HETATM   45  O   9KK A   3      -2.879   3.557   3.896  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -5.831   8.231   1.025  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -6.415   9.168   2.399  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -4.745   8.601   2.363  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -6.100   7.224   3.853  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -7.203   6.863   2.516  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -5.375   5.798   1.286  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -4.260   6.182   2.599  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -5.476   4.768   4.111  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -6.714   4.468   2.901  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -5.064   3.296   1.499  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -4.876   3.194   5.140  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -6.505   2.525   5.119  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -5.108   1.447   5.214  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.677   3.822   1.674  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.256   4.080   1.722  1.00  0.30           C  
ATOM     61  C   CYS A   4      -1.000   5.498   2.215  1.00  0.67           C  
ATOM     62  O   CYS A   4      -1.176   6.466   1.473  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.623   3.882   0.347  1.00  0.29           C  
ATOM     64  SG  CYS A   4       1.132   4.285   0.318  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.134   3.806   0.805  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -0.816   3.381   2.417  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -0.732   2.848   0.048  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.121   4.515  -0.371  1.00  0.45           H  
ATOM     69  N   THR A   5      -0.583   5.615   3.464  1.00  0.40           N  
ATOM     70  CA  THR A   5      -0.341   6.909   4.074  1.00  0.47           C  
ATOM     71  C   THR A   5       1.126   7.315   3.941  1.00  0.41           C  
ATOM     72  O   THR A   5       1.761   7.728   4.911  1.00  0.54           O  
ATOM     73  CB  THR A   5      -0.748   6.888   5.559  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -0.245   5.698   6.185  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -2.261   6.938   5.706  1.00  1.47           C  
ATOM     76  H   THR A   5      -0.435   4.804   3.997  1.00  1.12           H  
ATOM     77  HA  THR A   5      -0.956   7.638   3.563  1.00  0.62           H  
ATOM     78  HB  THR A   5      -0.323   7.753   6.050  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -0.977   5.089   6.353  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -2.636   7.846   5.256  1.00  1.77           H  
ATOM     81 HG22 THR A   5      -2.522   6.919   6.753  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -2.698   6.084   5.209  1.00  1.94           H  
ATOM     83  N   TRP A   6       1.662   7.180   2.736  1.00  0.37           N  
ATOM     84  CA  TRP A   6       3.046   7.535   2.471  1.00  0.47           C  
ATOM     85  C   TRP A   6       3.141   9.011   2.099  1.00  0.61           C  
ATOM     86  O   TRP A   6       2.211   9.566   1.517  1.00  0.63           O  
ATOM     87  CB  TRP A   6       3.606   6.658   1.348  1.00  0.47           C  
ATOM     88  CG  TRP A   6       5.078   6.820   1.115  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       5.682   7.715   0.284  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       6.127   6.053   1.710  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       7.045   7.557   0.330  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       7.343   6.540   1.198  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       6.155   5.004   2.628  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       8.575   6.009   1.576  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       7.375   4.477   3.001  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       8.569   4.980   2.476  1.00  0.94           C  
ATOM     97  H   TRP A   6       1.109   6.841   2.004  1.00  0.38           H  
ATOM     98  HA  TRP A   6       3.614   7.363   3.372  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       3.424   5.623   1.588  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       3.098   6.899   0.429  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       5.154   8.441  -0.312  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       7.697   8.084  -0.178  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       5.244   4.601   3.044  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       9.506   6.386   1.180  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       7.413   3.663   3.708  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       9.499   4.535   2.796  1.00  1.05           H  
HETATM  107  N   AIB A   7       4.259   9.631   2.459  1.00  0.79           N  
HETATM  108  CA  AIB A   7       4.522  11.044   2.155  1.00  0.99           C  
HETATM  109  C   AIB A   7       4.429  11.278   0.637  1.00  0.94           C  
HETATM  110  O   AIB A   7       5.258  10.781  -0.125  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       5.915  11.402   2.632  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       3.545  11.932   2.905  1.00  1.13           C  
HETATM  113  H   AIB A   7       4.939   9.121   2.950  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       6.110  12.443   2.421  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       6.640  10.789   2.117  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       5.986  11.229   3.696  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       3.678  11.795   3.967  1.00  1.35           H  
HETATM  118 HB22 AIB A   7       2.536  11.666   2.631  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       3.728  12.966   2.648  1.00  1.63           H  
ATOM    120  N   GLY A   8       3.424  12.029   0.203  1.00  0.95           N  
ATOM    121  CA  GLY A   8       3.274  12.315  -1.209  1.00  0.93           C  
ATOM    122  C   GLY A   8       2.378  11.312  -1.902  1.00  0.76           C  
ATOM    123  O   GLY A   8       2.177  11.374  -3.116  1.00  0.83           O  
ATOM    124  H   GLY A   8       2.775  12.388   0.844  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       2.849  13.302  -1.322  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       4.248  12.294  -1.675  1.00  0.99           H  
ATOM    127  N   CYS A   9       1.835  10.390  -1.129  1.00  0.61           N  
ATOM    128  CA  CYS A   9       0.976   9.356  -1.663  1.00  0.55           C  
ATOM    129  C   CYS A   9      -0.369   9.385  -0.944  1.00  0.92           C  
ATOM    130  O   CYS A   9      -0.592  10.219  -0.064  1.00  1.94           O  
ATOM    131  CB  CYS A   9       1.645   7.994  -1.488  1.00  0.42           C  
ATOM    132  SG  CYS A   9       1.013   6.687  -2.566  1.00  0.36           S  
ATOM    133  H   CYS A   9       2.013  10.409  -0.162  1.00  0.60           H  
ATOM    134  HA  CYS A   9       0.825   9.552  -2.713  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       2.701   8.092  -1.682  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       1.503   7.670  -0.469  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.256   8.478  -1.316  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -2.574   8.433  -0.717  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.540   7.604  -1.537  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.583   8.092  -1.971  1.00  0.90           O  
ATOM    141  H   GLY A  10      -1.011   7.830  -2.009  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -2.494   8.007   0.273  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -2.956   9.439  -0.638  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.182   6.347  -1.753  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -3.984   5.441  -2.567  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.757   4.473  -1.670  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.258   4.080  -0.617  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -3.075   4.667  -3.531  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -2.270   5.557  -4.472  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -3.172   6.399  -5.364  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -2.367   7.273  -6.316  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -1.523   6.473  -7.244  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -2.364   6.010  -1.342  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.687   6.032  -3.132  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -2.381   4.078  -2.951  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.683   4.003  -4.130  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -1.651   6.216  -3.883  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -1.646   4.932  -5.093  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -3.804   5.744  -5.943  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -3.784   7.035  -4.742  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -3.052   7.872  -6.898  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -1.731   7.922  -5.735  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -0.813   5.930  -6.710  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -1.028   7.102  -7.908  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -2.112   5.808  -7.788  1.00  1.93           H  
HETATM  166  N   MMO A  12      -5.981   4.072  -2.063  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.803   3.193  -1.209  1.00  0.17           C  
HETATM  168  C   MMO A  12      -7.089   1.835  -1.849  1.00  0.14           C  
HETATM  169  O   MMO A  12      -7.532   1.742  -2.997  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -8.109   3.964  -0.993  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -7.935   5.301  -0.289  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -9.275   5.979  -0.058  1.00  0.55           C  
HETATM  173  NE  MMO A  12      -9.124   7.321   0.501  1.00  1.09           N  
HETATM  174  CZ  MMO A  12      -9.902   7.818   1.461  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -10.869   7.078   1.987  1.00  1.59           N  
HETATM  176  NH1 MMO A  12      -9.710   9.055   1.897  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.501   4.505  -3.380  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -6.324   3.029  -0.254  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.773   3.355  -0.397  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.568   4.145  -1.954  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -7.315   5.941  -0.899  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -7.456   5.134   0.664  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12      -9.852   5.378   0.628  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.795   6.049  -0.999  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -11.021   6.139   1.666  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -11.455   7.454   2.709  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -10.298   9.430   2.620  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -6.901   5.502  -3.300  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -7.279   3.827  -3.698  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -5.701   4.496  -4.104  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -8.409   7.887   0.126  1.00  1.66           H  
HETATM  192 HH12 MMO A  12      -8.983   9.624   1.505  1.00  3.06           H  
ATOM    193  N   PHE A  13      -6.850   0.784  -1.085  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -6.987  -0.578  -1.575  1.00  0.12           C  
ATOM    195  C   PHE A  13      -7.943  -1.370  -0.691  1.00  0.16           C  
ATOM    196  O   PHE A  13      -8.066  -1.100   0.502  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.612  -1.249  -1.609  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.625  -0.523  -2.475  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.472  -0.858  -3.809  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.862   0.509  -1.954  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.577  -0.176  -4.608  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -2.964   1.191  -2.746  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.821   0.851  -4.075  1.00  0.36           C  
ATOM    204  H   PHE A  13      -6.568   0.927  -0.156  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.385  -0.534  -2.577  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.211  -1.286  -0.608  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.715  -2.253  -1.990  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -5.063  -1.659  -4.224  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -3.976   0.779  -0.915  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.465  -0.446  -5.646  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.373   1.992  -2.324  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -2.121   1.388  -4.697  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.620  -2.342  -1.280  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.586  -3.150  -0.547  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.926  -4.417  -0.002  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.557  -5.220   0.684  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.804  -3.512  -1.435  1.00  0.46           C  
ATOM    218  OG1 THR A  14     -11.764  -4.272  -0.687  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -10.380  -4.300  -2.668  1.00  0.93           C  
ATOM    220  H   THR A  14      -8.469  -2.523  -2.235  1.00  0.30           H  
ATOM    221  HA  THR A  14      -9.940  -2.563   0.287  1.00  0.34           H  
ATOM    222  HB  THR A  14     -11.271  -2.595  -1.762  1.00  1.25           H  
ATOM    223  HG1 THR A  14     -11.540  -4.229   0.255  1.00  1.99           H  
ATOM    224 HG21 THR A  14     -11.251  -4.549  -3.255  1.00  1.54           H  
ATOM    225 HG22 THR A  14      -9.882  -5.207  -2.363  1.00  1.62           H  
ATOM    226 HG23 THR A  14      -9.705  -3.702  -3.262  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.646  -4.580  -0.303  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.879  -5.709   0.195  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.584  -5.225   0.822  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.804  -4.513   0.187  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.565  -6.692  -0.932  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -7.788  -7.383  -1.513  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -7.392  -8.380  -2.586  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -8.543  -9.081  -3.152  1.00  1.27           N  
ATOM    235  CZ  ARG A  15      -8.444 -10.071  -4.037  1.00  1.98           C  
ATOM    236  NH1 ARG A  15      -7.249 -10.473  -4.455  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15      -9.540 -10.655  -4.507  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.202  -3.917  -0.872  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.469  -6.206   0.948  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -6.072  -6.159  -1.728  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -5.897  -7.451  -0.553  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.308  -7.903  -0.723  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -8.436  -6.639  -1.948  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -6.883  -7.850  -3.376  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -6.719  -9.105  -2.152  1.00  1.50           H  
ATOM    246  HE  ARG A  15      -9.439  -8.795  -2.854  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -6.417 -10.032  -4.105  1.00  2.52           H  
ATOM    248 HH12 ARG A  15      -7.169 -11.218  -5.123  1.00  3.13           H  
ATOM    249 HH21 ARG A  15     -10.447 -10.350  -4.196  1.00  2.68           H  
ATOM    250 HH22 ARG A  15      -9.469 -11.402  -5.167  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.366  -5.620   2.070  1.00  0.15           N  
ATOM    252  CA  SER A  16      -4.174  -5.230   2.808  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.943  -5.848   2.162  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.863  -5.261   2.162  1.00  0.17           O  
ATOM    255  CB  SER A  16      -4.290  -5.660   4.275  1.00  0.24           C  
ATOM    256  OG  SER A  16      -3.225  -5.141   5.054  1.00  1.27           O  
ATOM    257  H   SER A  16      -6.023  -6.206   2.507  1.00  0.17           H  
ATOM    258  HA  SER A  16      -4.089  -4.156   2.758  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -5.222  -5.298   4.681  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -4.268  -6.737   4.334  1.00  1.05           H  
ATOM    261  HG  SER A  16      -2.531  -5.805   5.126  1.00  1.61           H  
HETATM  262  OE1 B3D A  17       0.138  -9.205   3.005  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -1.087  -8.967   2.940  1.00  1.42           C  
HETATM  264  OE2 B3D A  17      -1.765  -8.646   3.943  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.777  -9.077   1.592  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -2.032  -7.708   0.936  1.00  0.19           C  
HETATM  267  N   B3D A  17      -3.112  -7.040   1.608  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.379  -7.968  -0.530  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.916  -6.873  -1.454  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.718  -6.679  -1.674  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -2.719  -9.580   1.735  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -1.156  -9.671   0.939  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -1.161  -7.027   1.007  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.990  -7.478   1.666  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.915  -8.890  -0.840  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.451  -8.060  -0.625  1.00  0.15           H  
ATOM    277  N   GLU A  18      -2.884  -6.122  -1.972  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.611  -5.056  -2.922  1.00  0.21           C  
ATOM    279  C   GLU A  18      -1.986  -3.848  -2.243  1.00  0.15           C  
ATOM    280  O   GLU A  18      -1.169  -3.159  -2.842  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -3.891  -4.635  -3.638  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -4.469  -5.716  -4.531  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -3.443  -6.291  -5.485  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -3.305  -7.530  -5.537  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -2.757  -5.509  -6.178  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.808  -6.293  -1.705  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -1.916  -5.437  -3.652  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.633  -4.375  -2.898  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -3.682  -3.767  -4.246  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -4.846  -6.512  -3.910  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -5.278  -5.295  -5.106  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.379  -3.584  -1.007  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.823  -2.466  -0.260  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.343  -2.708   0.017  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.495  -1.866  -0.295  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.617  -2.260   1.045  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -2.205  -1.075   1.940  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -1.017  -1.434   2.817  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -1.894   0.163   1.109  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.066  -4.147  -0.587  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -1.920  -1.582  -0.871  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.655  -2.131   0.782  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.529  -3.164   1.630  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -3.030  -0.834   2.592  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -1.281  -2.258   3.462  1.00  1.31           H  
ATOM    306 HD12 LEU A  19      -0.742  -0.580   3.417  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -0.183  -1.720   2.192  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -2.780   0.467   0.573  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -1.108  -0.062   0.404  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -1.576   0.964   1.759  1.00  1.36           H  
ATOM    311  N   GLN A  20      -0.028  -3.866   0.583  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.349  -4.200   0.922  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.203  -4.348  -0.331  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.263  -3.728  -0.444  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.411  -5.481   1.755  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.805  -5.799   2.279  1.00  0.37           C  
ATOM    317  CD  GLN A  20       3.383  -4.679   3.126  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       3.178  -4.637   4.339  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       4.106  -3.761   2.499  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.743  -4.507   0.791  1.00  0.16           H  
ATOM    321  HA  GLN A  20       1.746  -3.388   1.510  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       0.745  -5.383   2.598  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.083  -6.310   1.145  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       2.752  -6.693   2.882  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.461  -5.971   1.439  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       4.229  -3.850   1.526  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       4.493  -3.035   3.031  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.755  -5.166  -1.276  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.503  -5.353  -2.491  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.804  -6.845  -2.674  1.00  0.29           C  
HETATM  331  CG  HMR A  21       3.601  -7.435  -1.526  1.00  0.51           C  
HETATM  332  CD  HMR A  21       3.863  -8.919  -1.719  1.00  0.94           C  
HETATM  333  NE  HMR A  21       4.618  -9.478  -0.601  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       4.857 -10.776  -0.434  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       4.401 -11.658  -1.314  1.00  1.94           N  
HETATM  336  NH2 HMR A  21       5.546 -11.192   0.621  1.00  3.01           N  
HETATM  337  C   HMR A  21       2.111  -3.515  -4.162  1.00  0.17           C  
HETATM  338  O   HMR A  21       3.077  -3.332  -4.910  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.712  -4.892  -3.711  1.00  0.16           C  
HETATM  340  H   HMR A  21       0.902  -5.645  -1.148  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.420  -4.743  -2.385  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       3.365  -6.981  -3.585  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.870  -7.380  -2.750  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       3.046  -7.292  -0.613  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       4.548  -6.918  -1.457  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       4.427  -9.060  -2.629  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       2.918  -9.434  -1.795  1.00  1.23           H  
HETATM  348  HE  HMR A  21       4.968  -8.843   0.065  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       3.873 -11.351  -2.109  1.00  1.68           H  
HETATM  350 HH21 HMR A  21       5.728 -12.169   0.751  1.00  3.31           H  
HETATM  351 HH22 HMR A  21       5.887 -10.531   1.293  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.886  -5.581  -4.520  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.659  -4.879  -3.468  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       4.581 -12.637  -1.187  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.360  -2.537  -3.680  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.616  -1.141  -3.964  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.760  -0.616  -3.100  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.735  -0.081  -3.629  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.341  -0.315  -3.732  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.585   1.160  -3.641  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.462   2.052  -4.702  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       1.015   1.890  -2.583  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       0.834   3.267  -4.256  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       1.169   3.187  -2.993  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.595  -2.768  -3.110  1.00  0.18           H  
ATOM    366  HA  HIS A  22       1.901  -1.059  -5.000  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.345  -0.488  -4.546  1.00  0.25           H  
ATOM    368  HB3 HIS A  22      -0.120  -0.635  -2.808  1.00  0.25           H  
ATOM    369  HD1 HIS A  22       0.158   1.836  -5.612  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.193   1.526  -1.582  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       0.847   4.167  -4.849  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.632  -0.780  -1.773  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.606  -0.231  -0.824  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.008  -0.625  -1.250  1.00  0.17           C  
ATOM    375  O   LYS A  23       5.929   0.197  -1.260  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.322  -0.724   0.599  1.00  0.27           C  
ATOM    377  CG  LYS A  23       3.981   0.116   1.683  1.00  0.73           C  
ATOM    378  CD  LYS A  23       3.255   1.442   1.876  1.00  0.61           C  
ATOM    379  CE  LYS A  23       3.962   2.331   2.890  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       3.971   1.738   4.255  1.00  1.01           N1+
ATOM    381  H   LYS A  23       1.863  -1.285  -1.426  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.526   0.844  -0.853  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       2.254  -0.711   0.766  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       3.679  -1.739   0.693  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       3.966  -0.430   2.613  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       5.002   0.316   1.395  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       3.211   1.958   0.929  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       2.250   1.242   2.224  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       4.983   2.477   2.570  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       3.458   3.286   2.927  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       4.435   2.387   4.923  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       4.491   0.838   4.253  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       2.997   1.564   4.577  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.157  -1.884  -1.623  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.414  -2.372  -2.106  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.569  -3.843  -1.699  1.00  0.30           C  
HETATM  397  CG  HMR A  24       7.927  -4.433  -2.021  1.00  0.34           C  
HETATM  398  CD  HMR A  24       7.892  -5.950  -1.975  1.00  0.50           C  
HETATM  399  NE  HMR A  24       7.057  -6.506  -3.038  1.00  0.95           N  
HETATM  400  CZ  HMR A  24       6.904  -7.810  -3.260  1.00  1.35           C  
HETATM  401  NH1 HMR A  24       6.131  -8.226  -4.254  1.00  1.85           N  
HETATM  402  NH2 HMR A  24       7.522  -8.696  -2.489  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.210  -1.149  -4.199  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.426  -1.224  -4.394  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.433  -2.315  -3.638  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.391  -2.498  -1.557  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.199  -1.723  -1.681  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       5.817  -4.427  -2.209  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       6.412  -3.926  -0.634  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       8.645  -4.074  -1.299  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       8.218  -4.120  -3.009  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.495  -6.259  -1.020  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       8.896  -6.326  -2.087  1.00  0.77           H  
HETATM  414  HE  HMR A  24       6.579  -5.868  -3.620  1.00  1.18           H  
HETATM  415  HH1 HMR A  24       5.661  -7.561  -4.841  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       8.108  -8.391  -1.736  1.00  1.35           H  
HETATM  417 HH22 HMR A  24       7.406  -9.678  -2.658  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       6.872  -3.224  -4.014  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.417  -2.242  -3.995  1.00  0.23           H  
HETATM  420  HH2 HMR A  24       6.012  -9.210  -4.426  1.00  2.15           H  
ATOM    421  N   THR A  25       6.498  -0.053  -4.456  1.00  0.16           N  
ATOM    422  CA  THR A  25       7.088   1.116  -5.093  1.00  0.23           C  
ATOM    423  C   THR A  25       7.841   1.983  -4.089  1.00  0.22           C  
ATOM    424  O   THR A  25       8.799   2.663  -4.449  1.00  0.34           O  
ATOM    425  CB  THR A  25       6.026   1.970  -5.831  1.00  0.34           C  
ATOM    426  OG1 THR A  25       6.647   3.095  -6.470  1.00  1.33           O  
ATOM    427  CG2 THR A  25       4.944   2.469  -4.883  1.00  1.09           C  
ATOM    428  H   THR A  25       5.545  -0.035  -4.208  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.793   0.760  -5.827  1.00  0.30           H  
ATOM    430  HB  THR A  25       5.562   1.354  -6.587  1.00  0.94           H  
ATOM    431  HG1 THR A  25       7.585   3.126  -6.225  1.00  1.98           H  
ATOM    432 HG21 THR A  25       4.426   1.626  -4.451  1.00  1.66           H  
ATOM    433 HG22 THR A  25       4.240   3.079  -5.430  1.00  1.47           H  
ATOM    434 HG23 THR A  25       5.396   3.056  -4.099  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.417   1.959  -2.835  1.00  0.20           N  
ATOM    436  CA  HIS A  26       8.077   2.752  -1.810  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.136   1.911  -1.114  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.304   2.295  -1.036  1.00  0.38           O  
ATOM    439  CB  HIS A  26       7.082   3.271  -0.767  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.878   3.968  -1.323  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.915   5.111  -2.121  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.569   3.682  -1.142  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.639   5.471  -2.380  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.821   4.628  -1.806  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.655   1.387  -2.588  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.553   3.591  -2.295  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.727   2.436  -0.180  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.593   3.965  -0.114  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.724   5.573  -2.436  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       4.169   2.856  -0.575  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.339   6.329  -2.962  1.00  0.37           H  
HETATM  452  CG  B3T A  27       8.957  -0.726   1.330  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       7.703  -1.322   0.987  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       8.741   0.363   2.369  1.00  0.76           C  
HETATM  455  CA  B3T A  27       9.625  -0.156   0.070  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.721   0.749  -0.624  1.00  0.36           N  
HETATM  457  CB  B3T A  27      10.062  -1.292  -0.855  1.00  0.62           C  
HETATM  458  C   B3T A  27      11.544  -1.601  -0.739  1.00  0.82           C  
HETATM  459  O   B3T A  27      12.374  -0.694  -0.692  1.00  1.03           O  
HETATM  460  HG  B3T A  27       9.602  -1.482   1.752  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       7.712  -2.254   1.249  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27       8.271  -0.061   3.244  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27       8.105   1.131   1.955  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27       9.691   0.793   2.643  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.495   0.409   0.371  1.00  0.52           H  
HETATM  466  H   B3T A  27       7.775   0.493  -0.728  1.00  0.39           H  
HETATM  467  HB1 B3T A  27       9.850  -1.017  -1.877  1.00  0.63           H  
HETATM  468  HB2 B3T A  27       9.505  -2.182  -0.603  1.00  0.70           H  
ATOM    469  N   GLY A  28      11.877  -2.885  -0.700  1.00  1.30           N  
ATOM    470  CA  GLY A  28      13.266  -3.287  -0.596  1.00  1.53           C  
ATOM    471  C   GLY A  28      13.497  -4.252   0.546  1.00  1.68           C  
ATOM    472  O   GLY A  28      13.937  -5.383   0.336  1.00  2.18           O  
ATOM    473  H   GLY A  28      11.176  -3.567  -0.743  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      13.562  -3.761  -1.518  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      13.875  -2.409  -0.442  1.00  1.58           H  
ATOM    476  N   GLU A  29      13.198  -3.807   1.756  1.00  1.96           N  
ATOM    477  CA  GLU A  29      13.343  -4.647   2.938  1.00  2.41           C  
ATOM    478  C   GLU A  29      11.981  -5.155   3.395  1.00  2.39           C  
ATOM    479  O   GLU A  29      11.861  -6.257   3.934  1.00  3.19           O  
ATOM    480  CB  GLU A  29      14.015  -3.864   4.070  1.00  3.15           C  
ATOM    481  CG  GLU A  29      14.305  -4.703   5.301  1.00  3.91           C  
ATOM    482  CD  GLU A  29      14.893  -3.892   6.433  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      14.131  -3.486   7.334  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      16.121  -3.653   6.425  1.00  4.51           O1-
ATOM    485  H   GLU A  29      12.873  -2.886   1.859  1.00  2.25           H  
ATOM    486  HA  GLU A  29      13.963  -5.491   2.674  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      14.947  -3.459   3.709  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      13.368  -3.051   4.362  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      13.385  -5.151   5.640  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      15.006  -5.480   5.033  1.00  4.26           H  
ATOM    491  N   LYS A  30      10.958  -4.342   3.178  1.00  1.95           N  
ATOM    492  CA  LYS A  30       9.606  -4.694   3.578  1.00  2.32           C  
ATOM    493  C   LYS A  30       8.705  -4.810   2.356  1.00  2.89           C  
ATOM    494  O   LYS A  30       8.109  -3.834   1.904  1.00  3.15           O  
ATOM    495  CB  LYS A  30       9.053  -3.653   4.559  1.00  2.23           C  
ATOM    496  CG  LYS A  30       7.687  -4.009   5.120  1.00  2.98           C  
ATOM    497  CD  LYS A  30       7.224  -2.990   6.145  1.00  3.35           C  
ATOM    498  CE  LYS A  30       5.857  -3.352   6.698  1.00  3.96           C  
ATOM    499  NZ  LYS A  30       5.419  -2.414   7.763  1.00  4.54           N1+
ATOM    500  H   LYS A  30      11.116  -3.481   2.733  1.00  1.83           H  
ATOM    501  HA  LYS A  30       9.647  -5.655   4.071  1.00  2.86           H  
ATOM    502  HB2 LYS A  30       9.740  -3.550   5.384  1.00  2.41           H  
ATOM    503  HB3 LYS A  30       8.972  -2.703   4.050  1.00  2.30           H  
ATOM    504  HG2 LYS A  30       6.973  -4.039   4.312  1.00  3.30           H  
ATOM    505  HG3 LYS A  30       7.742  -4.981   5.590  1.00  3.48           H  
ATOM    506  HD2 LYS A  30       7.936  -2.958   6.957  1.00  3.50           H  
ATOM    507  HD3 LYS A  30       7.166  -2.020   5.672  1.00  3.54           H  
ATOM    508  HE2 LYS A  30       5.140  -3.326   5.892  1.00  4.07           H  
ATOM    509  HE3 LYS A  30       5.902  -4.351   7.106  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30       6.062  -2.470   8.578  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30       4.457  -2.656   8.082  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30       5.416  -1.438   7.404  1.00  4.84           H  
HETATM  513  N   NH2 A  31       8.614  -6.010   1.816  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31       9.122  -6.742   2.230  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31       8.039  -6.123   1.033  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.826   4.667  -1.833  1.00  0.26          ZN  
ENDMDL                                                                          
MODEL        2                                                                  
ATOM      1  N   PRO A   1     -11.408  -0.594   3.997  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.276  -0.532   3.053  1.00  0.45           C  
ATOM      3  C   PRO A   1      -9.002  -0.121   3.778  1.00  0.37           C  
ATOM      4  O   PRO A   1      -9.020   0.135   4.982  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -10.604   0.471   1.956  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -11.918   1.038   2.368  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -12.548   0.022   3.296  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -11.075  -0.129   4.858  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -11.464  -1.602   4.275  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -10.137  -1.512   2.618  1.00  1.10           H  
ATOM     11  HB2 PRO A   1      -9.837   1.232   1.917  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -10.672  -0.035   1.004  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -11.764   1.972   2.887  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -12.541   1.191   1.500  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -13.208   0.510   3.997  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -13.089  -0.719   2.725  1.00  1.32           H  
ATOM     17  N   PHE A   2      -7.903  -0.068   3.043  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -6.612   0.303   3.599  1.00  0.26           C  
ATOM     19  C   PHE A   2      -6.011   1.433   2.772  1.00  0.26           C  
ATOM     20  O   PHE A   2      -6.071   1.395   1.545  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -5.663  -0.900   3.596  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.231  -2.121   4.258  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -6.861  -3.104   3.508  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.135  -2.287   5.627  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -7.381  -4.228   4.115  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -6.655  -3.410   6.240  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -7.279  -4.382   5.483  1.00  0.35           C  
ATOM     28  H   PHE A   2      -7.959  -0.283   2.084  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -6.764   0.640   4.613  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -5.422  -1.156   2.576  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -4.757  -0.631   4.119  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -6.942  -2.986   2.438  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -5.647  -1.526   6.219  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -7.868  -4.986   3.520  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -6.574  -3.528   7.310  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -7.685  -5.262   5.961  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.431   2.455   3.409  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -5.580   8.560   2.376  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -5.942   7.297   3.127  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -5.194   6.110   2.547  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -5.571   4.815   3.247  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -4.878   3.586   2.654  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -5.342   2.445   4.884  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.368   3.718   2.787  1.00  0.39           C  
HETATM   45  O   9KK A   3      -2.804   3.605   3.879  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -6.115   9.396   2.801  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -4.518   8.736   2.456  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -5.850   8.451   1.336  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -5.671   7.419   4.165  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -7.006   7.130   3.037  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -5.430   6.022   1.496  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -4.134   6.274   2.666  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -5.295   4.901   4.287  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -6.640   4.685   3.176  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -5.130   3.509   1.606  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -6.298   2.717   5.303  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -5.066   1.458   5.224  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -4.593   3.157   5.200  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.712   3.959   1.668  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.291   4.221   1.677  1.00  0.30           C  
ATOM     61  C   CYS A   4      -1.035   5.676   2.045  1.00  0.67           C  
ATOM     62  O   CYS A   4      -1.017   6.553   1.181  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.660   3.910   0.323  1.00  0.29           C  
ATOM     64  SG  CYS A   4       1.127   4.171   0.310  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.199   3.958   0.815  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -0.843   3.587   2.428  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -0.849   2.877   0.068  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.095   4.550  -0.430  1.00  0.45           H  
ATOM     69  N   THR A   5      -0.844   5.924   3.328  1.00  0.40           N  
ATOM     70  CA  THR A   5      -0.589   7.266   3.822  1.00  0.47           C  
ATOM     71  C   THR A   5       0.907   7.584   3.800  1.00  0.41           C  
ATOM     72  O   THR A   5       1.480   8.032   4.794  1.00  0.54           O  
ATOM     73  CB  THR A   5      -1.144   7.429   5.251  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -0.780   6.296   6.050  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -2.657   7.573   5.230  1.00  1.47           C  
ATOM     76  H   THR A   5      -0.879   5.183   3.970  1.00  1.12           H  
ATOM     77  HA  THR A   5      -1.104   7.961   3.173  1.00  0.62           H  
ATOM     78  HB  THR A   5      -0.718   8.321   5.688  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -1.009   6.469   6.970  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -3.096   6.695   4.779  1.00  1.77           H  
ATOM     81 HG22 THR A   5      -2.929   8.447   4.656  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -3.022   7.678   6.241  1.00  1.94           H  
ATOM     83  N   TRP A   6       1.533   7.336   2.659  1.00  0.37           N  
ATOM     84  CA  TRP A   6       2.949   7.609   2.488  1.00  0.47           C  
ATOM     85  C   TRP A   6       3.139   9.073   2.113  1.00  0.61           C  
ATOM     86  O   TRP A   6       2.226   9.693   1.568  1.00  0.63           O  
ATOM     87  CB  TRP A   6       3.521   6.698   1.397  1.00  0.47           C  
ATOM     88  CG  TRP A   6       5.015   6.642   1.369  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       5.855   7.491   0.710  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       5.847   5.676   2.016  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       7.159   7.119   0.919  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       7.181   6.005   1.716  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       5.593   4.565   2.824  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       8.256   5.263   2.196  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       6.661   3.830   3.298  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       7.977   4.182   2.983  1.00  0.94           C  
ATOM     97  H   TRP A   6       1.025   6.972   1.908  1.00  0.38           H  
ATOM     98  HA  TRP A   6       3.451   7.412   3.422  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       3.156   5.696   1.548  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       3.187   7.054   0.436  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       5.525   8.333   0.118  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       7.948   7.575   0.553  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       4.584   4.280   3.076  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       9.279   5.521   1.963  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       6.485   2.968   3.923  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       8.779   3.577   3.376  1.00  1.05           H  
HETATM  107  N   AIB A   7       4.310   9.615   2.428  1.00  0.79           N  
HETATM  108  CA  AIB A   7       4.664  10.996   2.084  1.00  0.99           C  
HETATM  109  C   AIB A   7       4.431  11.239   0.581  1.00  0.94           C  
HETATM  110  O   AIB A   7       5.200  10.767  -0.260  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       6.126  11.234   2.408  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       3.851  11.967   2.925  1.00  1.13           C  
HETATM  113  H   AIB A   7       4.963   9.070   2.919  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       6.390  12.251   2.155  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       6.737  10.551   1.836  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       6.295  11.072   3.462  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       2.799  11.765   2.788  1.00  1.35           H  
HETATM  118 HB22 AIB A   7       4.066  12.980   2.618  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       4.108  11.843   3.966  1.00  1.63           H  
ATOM    120  N   GLY A   8       3.366  11.959   0.249  1.00  0.95           N  
ATOM    121  CA  GLY A   8       3.097  12.295  -1.136  1.00  0.93           C  
ATOM    122  C   GLY A   8       2.284  11.231  -1.847  1.00  0.76           C  
ATOM    123  O   GLY A   8       2.246  11.188  -3.078  1.00  0.83           O  
ATOM    124  H   GLY A   8       2.747  12.255   0.949  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       2.556  13.230  -1.168  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       4.039  12.415  -1.651  1.00  0.99           H  
ATOM    127  N   CYS A   9       1.645  10.367  -1.077  1.00  0.61           N  
ATOM    128  CA  CYS A   9       0.833   9.302  -1.634  1.00  0.55           C  
ATOM    129  C   CYS A   9      -0.527   9.269  -0.938  1.00  0.92           C  
ATOM    130  O   CYS A   9      -0.682   9.811   0.161  1.00  1.94           O  
ATOM    131  CB  CYS A   9       1.559   7.967  -1.463  1.00  0.42           C  
ATOM    132  SG  CYS A   9       0.959   6.640  -2.532  1.00  0.36           S  
ATOM    133  H   CYS A   9       1.724  10.442  -0.100  1.00  0.60           H  
ATOM    134  HA  CYS A   9       0.691   9.502  -2.686  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       2.608   8.107  -1.673  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       1.444   7.640  -0.441  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.513   8.654  -1.575  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -2.838   8.581  -0.994  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.768   7.687  -1.786  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.818   8.125  -2.255  1.00  0.90           O  
ATOM    141  H   GLY A  10      -1.344   8.247  -2.453  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -2.756   8.199   0.013  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -3.257   9.573  -0.958  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.376   6.433  -1.946  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -4.181   5.470  -2.681  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.817   4.474  -1.718  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.182   4.064  -0.744  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -3.315   4.728  -3.704  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -2.692   5.636  -4.753  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -1.781   4.860  -5.690  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -2.547   3.830  -6.511  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -3.531   4.461  -7.429  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -2.527   6.146  -1.556  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.959   6.010  -3.196  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -2.517   4.223  -3.178  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.923   3.993  -4.209  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -3.479   6.095  -5.331  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -2.114   6.403  -4.255  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -1.299   5.553  -6.364  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -1.032   4.351  -5.101  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -1.842   3.260  -7.094  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -3.070   3.169  -5.836  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -4.245   4.990  -6.886  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -4.011   3.731  -7.991  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -3.048   5.116  -8.076  1.00  1.93           H  
HETATM  166  N   MMO A  12      -6.077   4.075  -1.962  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.743   3.098  -1.087  1.00  0.17           C  
HETATM  168  C   MMO A  12      -7.035   1.773  -1.784  1.00  0.14           C  
HETATM  169  O   MMO A  12      -7.440   1.726  -2.948  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -8.037   3.787  -0.641  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -7.806   4.911   0.356  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -9.104   5.584   0.755  1.00  0.55           C  
HETATM  173  NE  MMO A  12      -9.666   6.386  -0.329  1.00  1.09           N  
HETATM  174  CZ  MMO A  12     -10.817   7.043  -0.244  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -11.549   6.977   0.862  1.00  1.59           N  
HETATM  176  NH1 MMO A  12     -11.240   7.770  -1.270  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.800   4.619  -3.131  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -6.136   2.896  -0.217  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.676   3.051  -0.175  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.538   4.194  -1.506  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -7.150   5.645  -0.091  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -7.339   4.501   1.239  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12      -8.917   6.224   1.605  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.817   4.821   1.030  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -11.235   6.429   1.642  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -12.416   7.478   0.924  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -12.109   8.269  -1.210  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -6.140   4.642  -3.983  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -7.141   5.620  -2.910  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -7.648   3.989  -3.354  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -9.144   6.448  -1.164  1.00  1.66           H  
HETATM  192 HH12 MMO A  12     -10.690   7.825  -2.109  1.00  3.06           H  
ATOM    193  N   PHE A  13      -6.810   0.698  -1.055  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -6.947  -0.650  -1.582  1.00  0.12           C  
ATOM    195  C   PHE A  13      -7.849  -1.466  -0.666  1.00  0.16           C  
ATOM    196  O   PHE A  13      -7.847  -1.266   0.546  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.567  -1.309  -1.679  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.580  -0.533  -2.506  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.344  -0.870  -3.826  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.888   0.532  -1.957  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.438  -0.157  -4.585  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -2.980   1.249  -2.709  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.755   0.905  -4.026  1.00  0.36           C  
ATOM    204  H   PHE A  13      -6.546   0.813  -0.116  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.390  -0.591  -2.564  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.155  -1.408  -0.688  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.673  -2.288  -2.120  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -4.881  -1.698  -4.265  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -4.067   0.805  -0.927  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.262  -0.431  -5.612  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.447   2.077  -2.266  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -2.045   1.464  -4.617  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.615  -2.380  -1.235  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.559  -3.164  -0.449  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.900  -4.432   0.102  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.494  -5.155   0.901  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.817  -3.524  -1.277  1.00  0.46           C  
ATOM    218  OG1 THR A  14     -11.834  -4.090  -0.438  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -10.479  -4.502  -2.389  1.00  0.93           C  
ATOM    220  H   THR A  14      -8.550  -2.528  -2.206  1.00  0.30           H  
ATOM    221  HA  THR A  14      -9.870  -2.556   0.387  1.00  0.34           H  
ATOM    222  HB  THR A  14     -11.201  -2.619  -1.725  1.00  1.25           H  
ATOM    223  HG1 THR A  14     -11.581  -3.979   0.489  1.00  1.99           H  
ATOM    224 HG21 THR A  14     -10.128  -5.428  -1.958  1.00  1.54           H  
ATOM    225 HG22 THR A  14      -9.707  -4.082  -3.015  1.00  1.62           H  
ATOM    226 HG23 THR A  14     -11.359  -4.693  -2.981  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.665  -4.688  -0.315  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.912  -5.833   0.178  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.587  -5.377   0.770  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.821  -4.654   0.128  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.661  -6.845  -0.942  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -7.920  -7.543  -1.432  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -7.593  -8.758  -2.292  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -6.868  -8.403  -3.512  1.00  1.27           N  
ATOM    235  CZ  ARG A  15      -6.083  -9.251  -4.185  1.00  1.98           C  
ATOM    236  NH1 ARG A  15      -5.883 -10.482  -3.727  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15      -5.492  -8.861  -5.311  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.245  -4.089  -0.965  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.497  -6.301   0.954  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -6.214  -6.331  -1.778  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -5.974  -7.595  -0.585  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.498  -7.864  -0.578  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -8.500  -6.846  -2.018  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -6.987  -9.438  -1.713  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -8.515  -9.248  -2.564  1.00  1.50           H  
ATOM    246  HE  ARG A  15      -6.984  -7.478  -3.858  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -6.319 -10.781  -2.874  1.00  2.52           H  
ATOM    248 HH12 ARG A  15      -5.296 -11.122  -4.233  1.00  3.13           H  
ATOM    249 HH21 ARG A  15      -5.633  -7.933  -5.661  1.00  2.68           H  
ATOM    250 HH22 ARG A  15      -4.893  -9.495  -5.815  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.332  -5.817   2.000  1.00  0.15           N  
ATOM    252  CA  SER A  16      -4.145  -5.420   2.747  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.884  -5.889   2.036  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.884  -5.177   2.001  1.00  0.17           O  
ATOM    255  CB  SER A  16      -4.209  -5.984   4.170  1.00  0.24           C  
ATOM    256  OG  SER A  16      -3.181  -5.454   4.989  1.00  1.27           O  
ATOM    257  H   SER A  16      -5.967  -6.439   2.417  1.00  0.17           H  
ATOM    258  HA  SER A  16      -4.132  -4.342   2.796  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -5.163  -5.733   4.610  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -4.104  -7.058   4.131  1.00  1.05           H  
ATOM    261  HG  SER A  16      -2.427  -5.202   4.437  1.00  1.61           H  
HETATM  262  OE1 B3D A  17      -1.087  -8.816   3.705  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -0.506  -8.772   2.597  1.00  1.42           C  
HETATM  264  OE2 B3D A  17       0.729  -8.609   2.485  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.333  -8.942   1.336  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -1.805  -7.605   0.742  1.00  0.19           C  
HETATM  267  N   B3D A  17      -2.927  -7.090   1.477  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.198  -7.873  -0.703  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.840  -6.742  -1.623  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.670  -6.484  -1.892  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -2.194  -9.544   1.575  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -0.733  -9.463   0.605  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -1.026  -6.820   0.783  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.741  -7.635   1.563  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.692  -8.762  -1.045  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.266  -8.028  -0.756  1.00  0.15           H  
ATOM    277  N   GLU A  18      -2.864  -6.029  -2.070  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.692  -4.933  -3.005  1.00  0.21           C  
ATOM    279  C   GLU A  18      -2.088  -3.712  -2.324  1.00  0.15           C  
ATOM    280  O   GLU A  18      -1.296  -2.993  -2.925  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -4.037  -4.573  -3.631  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -4.638  -5.700  -4.450  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -6.024  -5.377  -4.962  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -7.007  -5.859  -4.369  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -6.136  -4.643  -5.965  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.764  -6.247  -1.759  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -2.022  -5.263  -3.784  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.732  -4.320  -2.842  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -3.906  -3.716  -4.274  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -3.995  -5.898  -5.293  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -4.697  -6.583  -3.832  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.464  -3.483  -1.072  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.960  -2.338  -0.321  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.462  -2.482  -0.063  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.323  -1.614  -0.436  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.743  -2.190   0.999  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -2.363  -1.010   1.919  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -1.193  -1.368   2.822  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -2.045   0.243   1.114  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.104  -4.092  -0.640  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -2.121  -1.459  -0.922  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.789  -2.094   0.754  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.615  -3.104   1.562  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -3.207  -0.785   2.555  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -0.942  -0.519   3.440  1.00  1.31           H  
ATOM    306 HD12 LEU A  19      -0.341  -1.641   2.217  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -1.469  -2.202   3.452  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -1.262   0.028   0.402  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -1.716   1.026   1.783  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -2.929   0.569   0.592  1.00  1.36           H  
ATOM    311  N   GLN A  20      -0.072  -3.582   0.560  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.318  -3.789   0.934  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.169  -4.167  -0.274  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.299  -3.704  -0.416  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.426  -4.867   2.013  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.842  -5.066   2.534  1.00  0.37           C  
ATOM    317  CD  GLN A  20       2.909  -6.008   3.721  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       3.894  -6.726   3.907  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       1.871  -6.008   4.541  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.741  -4.266   0.790  1.00  0.16           H  
ATOM    321  HA  GLN A  20       1.688  -2.860   1.335  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       0.793  -4.595   2.842  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.083  -5.804   1.603  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       3.450  -5.472   1.739  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.238  -4.107   2.833  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       1.121  -5.408   4.342  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       1.894  -6.609   5.318  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.627  -4.994  -1.154  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.363  -5.418  -2.313  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.341  -6.953  -2.347  1.00  0.29           C  
HETATM  331  CG  HMR A  21       2.576  -7.580  -0.983  1.00  0.51           C  
HETATM  332  CD  HMR A  21       2.311  -9.074  -0.992  1.00  0.94           C  
HETATM  333  NE  HMR A  21       2.232  -9.612   0.364  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       2.602 -10.842   0.704  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       3.078 -11.678  -0.213  1.00  1.94           N  
HETATM  336  NH2 HMR A  21       2.495 -11.236   1.966  1.00  3.01           N  
HETATM  337  C   HMR A  21       2.153  -3.562  -4.029  1.00  0.17           C  
HETATM  338  O   HMR A  21       3.178  -3.391  -4.692  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.708  -4.935  -3.611  1.00  0.16           C  
HETATM  340  H   HMR A  21       0.707  -5.319  -1.019  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.384  -4.996  -2.208  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       3.109  -7.300  -3.019  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.377  -7.277  -2.709  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       1.916  -7.112  -0.267  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       3.602  -7.410  -0.691  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       3.112  -9.569  -1.520  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       1.375  -9.260  -1.499  1.00  1.23           H  
HETATM  348  HE  HMR A  21       1.860  -9.019   1.065  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       3.160 -11.386  -1.167  1.00  1.68           H  
HETATM  350 HH21 HMR A  21       2.772 -12.162   2.233  1.00  3.31           H  
HETATM  351 HH22 HMR A  21       2.135 -10.607   2.662  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.955  -5.626  -4.402  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.636  -4.915  -3.478  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       3.356 -12.606   0.048  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.369  -2.573  -3.628  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.658  -1.184  -3.929  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.800  -0.652  -3.062  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.779  -0.127  -3.589  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.395  -0.332  -3.745  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.675   1.135  -3.664  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.744   1.990  -4.759  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       0.992   1.882  -2.582  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       1.116   3.200  -4.306  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       1.268   3.153  -3.008  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.559  -2.788  -3.115  1.00  0.18           H  
ATOM    366  HA  HIS A  22       1.962  -1.131  -4.962  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.269  -0.499  -4.580  1.00  0.25           H  
ATOM    368  HB3 HIS A  22      -0.100  -0.628  -2.831  1.00  0.25           H  
ATOM    369  HD1 HIS A  22       0.562   1.753  -5.695  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.015   1.547  -1.555  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       1.270   4.075  -4.919  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.667  -0.791  -1.739  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.650  -0.250  -0.793  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.053  -0.677  -1.197  1.00  0.17           C  
ATOM    375  O   LYS A  23       6.003   0.112  -1.158  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.342  -0.727   0.629  1.00  0.27           C  
ATOM    377  CG  LYS A  23       4.175  -0.046   1.706  1.00  0.73           C  
ATOM    378  CD  LYS A  23       3.678   1.363   2.008  1.00  0.61           C  
ATOM    379  CE  LYS A  23       2.293   1.350   2.647  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       1.853   2.715   3.042  1.00  1.01           N1+
ATOM    381  H   LYS A  23       1.885  -1.273  -1.387  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.589   0.826  -0.829  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       2.301  -0.541   0.840  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       3.525  -1.790   0.685  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       4.127  -0.635   2.609  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       5.200   0.011   1.368  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       4.370   1.842   2.686  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       3.631   1.922   1.086  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       1.583   0.946   1.938  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       2.321   0.721   3.524  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       2.545   3.139   3.691  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       0.934   2.668   3.524  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       1.763   3.321   2.201  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.173  -1.931  -1.588  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.423  -2.459  -2.039  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.545  -3.903  -1.533  1.00  0.30           C  
HETATM  397  CG  HMR A  24       7.847  -4.599  -1.891  1.00  0.34           C  
HETATM  398  CD  HMR A  24       7.900  -5.993  -1.290  1.00  0.50           C  
HETATM  399  NE  HMR A  24       9.159  -6.674  -1.583  1.00  0.95           N  
HETATM  400  CZ  HMR A  24       9.655  -7.666  -0.848  1.00  1.35           C  
HETATM  401  NH1 HMR A  24      10.802  -8.234  -1.192  1.00  1.85           N  
HETATM  402  NH2 HMR A  24       9.000  -8.095   0.225  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.216  -1.334  -4.182  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.420  -1.427  -4.441  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.457  -2.488  -3.568  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.382  -2.520  -1.559  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.211  -1.793  -1.646  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       5.731  -4.480  -1.945  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       6.457  -3.897  -0.458  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       8.674  -4.020  -1.510  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       7.922  -4.678  -2.965  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.083  -6.576  -1.691  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       7.790  -5.912  -0.219  1.00  0.77           H  
HETATM  414  HE  HMR A  24       9.663  -6.370  -2.374  1.00  1.18           H  
HETATM  415  HH1 HMR A  24      11.296  -7.918  -2.005  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       8.128  -7.674   0.484  1.00  1.35           H  
HETATM  417 HH22 HMR A  24       9.375  -8.844   0.780  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       6.922  -3.403  -3.889  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.444  -2.460  -3.940  1.00  0.23           H  
HETATM  420  HH2 HMR A  24      11.181  -8.983  -0.641  1.00  2.15           H  
ATOM    421  N   THR A  25       6.506  -0.231  -4.407  1.00  0.16           N  
ATOM    422  CA  THR A  25       7.070   0.923  -5.093  1.00  0.23           C  
ATOM    423  C   THR A  25       7.824   1.849  -4.134  1.00  0.22           C  
ATOM    424  O   THR A  25       8.796   2.495  -4.527  1.00  0.34           O  
ATOM    425  CB  THR A  25       5.984   1.725  -5.861  1.00  0.34           C  
ATOM    426  OG1 THR A  25       6.594   2.751  -6.656  1.00  1.33           O  
ATOM    427  CG2 THR A  25       4.975   2.364  -4.914  1.00  1.09           C  
ATOM    428  H   THR A  25       5.569  -0.200  -4.106  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.772   0.547  -5.819  1.00  0.30           H  
ATOM    430  HB  THR A  25       5.457   1.043  -6.512  1.00  0.94           H  
ATOM    431  HG1 THR A  25       7.097   2.342  -7.373  1.00  1.98           H  
ATOM    432 HG21 THR A  25       4.466   1.595  -4.351  1.00  1.66           H  
ATOM    433 HG22 THR A  25       4.254   2.927  -5.486  1.00  1.47           H  
ATOM    434 HG23 THR A  25       5.490   3.027  -4.235  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.392   1.912  -2.878  1.00  0.20           N  
ATOM    436  CA  HIS A  26       8.074   2.753  -1.903  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.157   1.946  -1.210  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.268   2.424  -0.984  1.00  0.38           O  
ATOM    439  CB  HIS A  26       7.119   3.298  -0.835  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.906   4.010  -1.348  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.918   5.234  -2.013  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.605   3.666  -1.218  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.634   5.584  -2.248  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.837   4.659  -1.778  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.616   1.377  -2.600  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.529   3.577  -2.430  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.774   2.473  -0.230  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.663   3.988  -0.206  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.715   5.750  -2.265  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       4.225   2.770  -0.758  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.316   6.492  -2.738  1.00  0.37           H  
HETATM  452  CG  B3T A  27       9.119  -0.756   1.089  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       7.862  -1.377   0.793  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       8.916   0.335   2.131  1.00  0.76           C  
HETATM  455  CA  B3T A  27       9.741  -0.185  -0.195  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.815   0.712  -0.874  1.00  0.36           N  
HETATM  457  CB  B3T A  27      10.173  -1.316  -1.132  1.00  0.62           C  
HETATM  458  C   B3T A  27      11.628  -1.705  -0.945  1.00  0.82           C  
HETATM  459  O   B3T A  27      12.484  -0.854  -0.692  1.00  1.03           O  
HETATM  460  HG  B3T A  27       9.792  -1.498   1.493  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       7.313  -0.769   0.286  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27       8.462  -0.091   3.013  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27       8.270   1.100   1.728  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27       9.871   0.769   2.389  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.606   0.384   0.091  1.00  0.52           H  
HETATM  466  H   B3T A  27       7.909   0.396  -1.083  1.00  0.39           H  
HETATM  467  HB1 B3T A  27      10.033  -1.000  -2.154  1.00  0.63           H  
HETATM  468  HB2 B3T A  27       9.559  -2.182  -0.940  1.00  0.70           H  
ATOM    469  N   GLY A  28      11.911  -2.998  -1.061  1.00  1.30           N  
ATOM    470  CA  GLY A  28      13.265  -3.490  -0.881  1.00  1.53           C  
ATOM    471  C   GLY A  28      13.636  -3.635   0.580  1.00  1.68           C  
ATOM    472  O   GLY A  28      13.835  -4.747   1.075  1.00  2.18           O  
ATOM    473  H   GLY A  28      11.193  -3.629  -1.287  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      13.354  -4.452  -1.361  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      13.951  -2.802  -1.350  1.00  1.58           H  
ATOM    476  N   GLU A  29      13.700  -2.510   1.278  1.00  1.96           N  
ATOM    477  CA  GLU A  29      14.088  -2.491   2.685  1.00  2.41           C  
ATOM    478  C   GLU A  29      12.981  -3.058   3.570  1.00  2.39           C  
ATOM    479  O   GLU A  29      13.202  -3.364   4.739  1.00  3.19           O  
ATOM    480  CB  GLU A  29      14.435  -1.061   3.110  1.00  3.15           C  
ATOM    481  CG  GLU A  29      13.305  -0.069   2.905  1.00  3.91           C  
ATOM    482  CD  GLU A  29      13.776   1.364   3.004  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      13.845   1.904   4.128  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      14.092   1.957   1.954  1.00  4.51           O1-
ATOM    485  H   GLU A  29      13.485  -1.662   0.832  1.00  2.25           H  
ATOM    486  HA  GLU A  29      14.966  -3.109   2.790  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      14.693  -1.062   4.159  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      15.288  -0.724   2.541  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      12.876  -0.225   1.927  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      12.553  -0.240   3.660  1.00  4.26           H  
ATOM    491  N   LYS A  30      11.794  -3.203   2.999  1.00  1.95           N  
ATOM    492  CA  LYS A  30      10.660  -3.750   3.724  1.00  2.32           C  
ATOM    493  C   LYS A  30       9.806  -4.601   2.790  1.00  2.89           C  
ATOM    494  O   LYS A  30       8.933  -4.097   2.089  1.00  3.15           O  
ATOM    495  CB  LYS A  30       9.828  -2.619   4.340  1.00  2.23           C  
ATOM    496  CG  LYS A  30       8.669  -3.101   5.195  1.00  2.98           C  
ATOM    497  CD  LYS A  30       7.896  -1.931   5.783  1.00  3.35           C  
ATOM    498  CE  LYS A  30       6.717  -2.405   6.614  1.00  3.96           C  
ATOM    499  NZ  LYS A  30       5.719  -3.140   5.794  1.00  4.54           N1+
ATOM    500  H   LYS A  30      11.682  -2.941   2.065  1.00  1.83           H  
ATOM    501  HA  LYS A  30      11.044  -4.379   4.516  1.00  2.86           H  
ATOM    502  HB2 LYS A  30      10.472  -2.011   4.958  1.00  2.41           H  
ATOM    503  HB3 LYS A  30       9.429  -2.009   3.546  1.00  2.30           H  
ATOM    504  HG2 LYS A  30       8.004  -3.693   4.586  1.00  3.30           H  
ATOM    505  HG3 LYS A  30       9.058  -3.707   6.002  1.00  3.48           H  
ATOM    506  HD2 LYS A  30       8.557  -1.354   6.412  1.00  3.50           H  
ATOM    507  HD3 LYS A  30       7.529  -1.312   4.976  1.00  3.54           H  
ATOM    508  HE2 LYS A  30       7.082  -3.060   7.390  1.00  4.07           H  
ATOM    509  HE3 LYS A  30       6.241  -1.547   7.062  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30       5.349  -2.522   5.040  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30       4.927  -3.453   6.389  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30       6.159  -3.971   5.358  1.00  4.84           H  
HETATM  513  N   NH2 A  31      10.085  -5.891   2.759  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31      10.797  -6.225   3.347  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31       9.573  -6.461   2.151  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.842   4.639  -1.822  1.00  0.26          ZN  
ENDMDL                                                                          
MODEL        3                                                                  
ATOM      1  N   PRO A   1     -11.482  -0.250   4.075  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.379  -0.214   3.093  1.00  0.45           C  
ATOM      3  C   PRO A   1      -9.053   0.037   3.798  1.00  0.37           C  
ATOM      4  O   PRO A   1      -9.025   0.310   4.998  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -10.651   0.891   2.082  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -11.791   1.637   2.678  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -12.529   0.651   3.555  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -11.050   0.002   4.980  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -11.699  -1.268   4.188  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -10.336  -1.167   2.585  1.00  1.10           H  
ATOM     11  HB2 PRO A   1      -9.774   1.516   1.979  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -10.915   0.460   1.126  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -11.416   2.458   3.271  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -12.441   2.005   1.898  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -13.023   1.166   4.364  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -13.248   0.098   2.969  1.00  1.32           H  
ATOM     17  N   PHE A   2      -7.963  -0.055   3.051  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -6.632   0.169   3.591  1.00  0.26           C  
ATOM     19  C   PHE A   2      -5.942   1.272   2.796  1.00  0.26           C  
ATOM     20  O   PHE A   2      -6.047   1.306   1.571  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -5.800  -1.117   3.517  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.449  -2.300   4.176  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -7.218  -3.184   3.438  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.293  -2.526   5.535  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -7.818  -4.272   4.042  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -6.890  -3.613   6.143  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -7.644  -4.490   5.397  1.00  0.35           C  
ATOM     28  H   PHE A   2      -8.056  -0.276   2.097  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -6.731   0.475   4.621  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -5.630  -1.366   2.480  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -4.850  -0.945   4.001  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -7.344  -3.017   2.378  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -5.696  -1.844   6.122  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -8.416  -4.953   3.456  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -6.759  -3.779   7.201  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -8.107  -5.341   5.871  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.238   2.197   3.457  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -4.455   8.322   2.897  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -5.011   7.074   3.547  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -4.501   5.838   2.825  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -5.018   4.559   3.465  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -4.578   3.286   2.730  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -5.120   2.120   4.928  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.055   3.169   2.721  1.00  0.39           C  
HETATM   45  O   9KK A   3      -2.436   2.691   3.676  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -4.842   9.194   3.404  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -3.377   8.314   2.968  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -4.749   8.351   1.859  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -4.694   7.047   4.579  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -6.088   7.106   3.488  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -4.828   5.871   1.796  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -3.422   5.834   2.861  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -4.655   4.521   4.481  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -6.096   4.598   3.477  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -4.924   3.330   1.709  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -4.988   1.091   5.228  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -4.267   2.698   5.250  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -6.016   2.517   5.381  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.463   3.596   1.617  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.019   3.640   1.479  1.00  0.30           C  
ATOM     61  C   CYS A   4      -0.385   4.475   2.596  1.00  0.67           C  
ATOM     62  O   CYS A   4       0.601   4.066   3.215  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.652   4.210   0.109  1.00  0.29           C  
ATOM     64  SG  CYS A   4       1.026   4.854   0.021  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.023   3.883   0.862  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -0.647   2.630   1.548  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -0.749   3.431  -0.634  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.329   5.017  -0.129  1.00  0.45           H  
ATOM     69  N   THR A   5      -0.973   5.648   2.835  1.00  0.40           N  
ATOM     70  CA  THR A   5      -0.581   6.529   3.932  1.00  0.47           C  
ATOM     71  C   THR A   5       0.799   7.161   3.687  1.00  0.41           C  
ATOM     72  O   THR A   5       1.389   7.778   4.577  1.00  0.54           O  
ATOM     73  CB  THR A   5      -0.611   5.777   5.287  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -1.810   4.990   5.372  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -0.583   6.746   6.462  1.00  1.47           C  
ATOM     76  H   THR A   5      -1.702   5.932   2.249  1.00  1.12           H  
ATOM     77  HA  THR A   5      -1.313   7.324   3.979  1.00  0.62           H  
ATOM     78  HB  THR A   5       0.249   5.127   5.348  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -1.604   4.068   5.168  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -1.437   7.407   6.403  1.00  1.77           H  
ATOM     81 HG22 THR A   5       0.326   7.329   6.426  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -0.618   6.191   7.388  1.00  1.94           H  
ATOM     83  N   TRP A   6       1.307   7.023   2.466  1.00  0.37           N  
ATOM     84  CA  TRP A   6       2.544   7.680   2.089  1.00  0.47           C  
ATOM     85  C   TRP A   6       2.253   9.136   1.762  1.00  0.61           C  
ATOM     86  O   TRP A   6       1.274   9.440   1.070  1.00  0.63           O  
ATOM     87  CB  TRP A   6       3.186   6.984   0.893  1.00  0.47           C  
ATOM     88  CG  TRP A   6       4.608   7.378   0.654  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       5.058   8.450  -0.059  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       5.769   6.690   1.125  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       6.429   8.471  -0.058  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       6.891   7.400   0.662  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       5.968   5.542   1.895  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       8.192   6.997   0.944  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       7.258   5.144   2.175  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       8.356   5.869   1.701  1.00  0.94           C  
ATOM     97  H   TRP A   6       0.844   6.462   1.810  1.00  0.38           H  
ATOM     98  HA  TRP A   6       3.219   7.638   2.932  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       3.161   5.918   1.050  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       2.621   7.223   0.007  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       4.414   9.169  -0.544  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       6.991   9.146  -0.501  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       5.132   4.970   2.268  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       9.051   7.546   0.585  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       7.430   4.260   2.769  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       9.346   5.519   1.944  1.00  1.05           H  
HETATM  107  N   AIB A   7       3.102  10.017   2.264  1.00  0.79           N  
HETATM  108  CA  AIB A   7       2.898  11.462   2.162  1.00  0.99           C  
HETATM  109  C   AIB A   7       2.723  11.884   0.693  1.00  0.94           C  
HETATM  110  O   AIB A   7       3.646  11.751  -0.111  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       4.098  12.177   2.747  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       1.689  11.861   2.989  1.00  1.13           C  
HETATM  113  H   AIB A   7       3.905   9.684   2.725  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       4.983  11.912   2.185  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       4.225  11.883   3.777  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       3.943  13.243   2.692  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       0.810  11.360   2.609  1.00  1.35           H  
HETATM  118 HB22 AIB A   7       1.551  12.929   2.930  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       1.849  11.574   4.018  1.00  1.63           H  
ATOM    120  N   GLY A   8       1.539  12.383   0.350  1.00  0.95           N  
ATOM    121  CA  GLY A   8       1.308  12.917  -0.979  1.00  0.93           C  
ATOM    122  C   GLY A   8       0.974  11.854  -2.008  1.00  0.76           C  
ATOM    123  O   GLY A   8       0.883  12.148  -3.202  1.00  0.83           O  
ATOM    124  H   GLY A   8       0.812  12.395   1.009  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       0.490  13.621  -0.930  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       2.198  13.440  -1.297  1.00  0.99           H  
ATOM    127  N   CYS A   9       0.794  10.618  -1.563  1.00  0.61           N  
ATOM    128  CA  CYS A   9       0.472   9.536  -2.479  1.00  0.55           C  
ATOM    129  C   CYS A   9      -1.039   9.442  -2.685  1.00  0.92           C  
ATOM    130  O   CYS A   9      -1.528   9.592  -3.807  1.00  1.94           O  
ATOM    131  CB  CYS A   9       1.032   8.214  -1.954  1.00  0.42           C  
ATOM    132  SG  CYS A   9       0.992   6.865  -3.156  1.00  0.36           S  
ATOM    133  H   CYS A   9       0.886  10.429  -0.601  1.00  0.60           H  
ATOM    134  HA  CYS A   9       0.933   9.760  -3.428  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       2.060   8.360  -1.664  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       0.461   7.903  -1.090  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.775   9.210  -1.606  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -3.224   9.157  -1.691  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.717   7.971  -2.496  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.298   8.136  -3.571  1.00  0.90           O  
ATOM    141  H   GLY A  10      -1.335   9.073  -0.743  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -3.631   9.096  -0.693  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -3.578  10.064  -2.155  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.468   6.773  -1.987  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -3.904   5.554  -2.652  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.589   4.617  -1.657  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.068   4.381  -0.567  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -2.708   4.853  -3.307  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -2.053   5.669  -4.416  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -2.924   5.718  -5.660  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -2.376   6.679  -6.706  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -2.419   8.096  -6.250  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -2.981   6.706  -1.142  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.613   5.833  -3.414  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -1.965   4.650  -2.552  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.043   3.917  -3.731  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -1.895   6.675  -4.059  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -1.103   5.220  -4.667  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -2.974   4.729  -6.088  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -3.915   6.037  -5.378  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -1.351   6.412  -6.918  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -2.964   6.583  -7.605  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -3.379   8.343  -5.929  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -2.159   8.730  -7.031  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -1.753   8.246  -5.463  1.00  1.93           H  
HETATM  166  N   MMO A  12      -5.779   4.093  -2.006  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.505   3.166  -1.110  1.00  0.17           C  
HETATM  168  C   MMO A  12      -6.907   1.850  -1.786  1.00  0.14           C  
HETATM  169  O   MMO A  12      -7.428   1.826  -2.903  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -7.750   3.947  -0.675  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -7.444   5.167   0.179  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -8.712   5.917   0.548  1.00  0.55           C  
HETATM  173  NE  MMO A  12      -9.438   6.381  -0.636  1.00  1.09           N  
HETATM  174  CZ  MMO A  12     -10.341   7.360  -0.622  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -10.630   7.994   0.508  1.00  1.59           N  
HETATM  176  NH1 MMO A  12     -10.960   7.697  -1.744  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.369   4.456  -3.313  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -5.910   2.936  -0.238  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.387   3.288  -0.103  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.282   4.274  -1.554  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -6.792   5.827  -0.372  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -6.952   4.846   1.086  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12      -8.449   6.767   1.158  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.352   5.254   1.111  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -10.171   7.741   1.363  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -11.316   8.726   0.513  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -11.642   8.434  -1.741  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -6.629   5.504  -3.313  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -7.256   3.865  -3.484  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -5.651   4.264  -4.096  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -9.244   5.929  -1.491  1.00  1.66           H  
HETATM  192 HH12 MMO A  12     -10.755   7.214  -2.600  1.00  3.06           H  
ATOM    193  N   PHE A  13      -6.675   0.754  -1.087  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -6.906  -0.576  -1.631  1.00  0.12           C  
ATOM    195  C   PHE A  13      -7.833  -1.364  -0.714  1.00  0.16           C  
ATOM    196  O   PHE A  13      -7.862  -1.134   0.492  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.568  -1.300  -1.795  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.622  -0.591  -2.720  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.498  -0.990  -4.041  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.852   0.467  -2.269  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.626  -0.351  -4.894  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -2.977   1.113  -3.119  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.885   0.739  -4.428  1.00  0.36           C  
ATOM    204  H   PHE A  13      -6.345   0.839  -0.164  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.373  -0.468  -2.598  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.090  -1.379  -0.830  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.741  -2.290  -2.186  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -5.092  -1.817  -4.401  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -3.942   0.788  -1.242  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.542  -0.673  -5.921  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.381   1.937  -2.758  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -2.210   1.258  -5.093  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.591  -2.287  -1.284  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.560  -3.054  -0.514  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.953  -4.369  -0.017  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.631  -5.178   0.618  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.839  -3.334  -1.343  1.00  0.46           C  
ATOM    218  OG1 THR A  14     -11.857  -3.921  -0.518  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -10.546  -4.257  -2.519  1.00  0.93           C  
ATOM    220  H   THR A  14      -8.500  -2.457  -2.247  1.00  0.30           H  
ATOM    221  HA  THR A  14      -9.839  -2.461   0.345  1.00  0.34           H  
ATOM    222  HB  THR A  14     -11.208  -2.394  -1.729  1.00  1.25           H  
ATOM    223  HG1 THR A  14     -11.466  -4.629   0.016  1.00  1.99           H  
ATOM    224 HG21 THR A  14     -10.193  -5.207  -2.149  1.00  1.54           H  
ATOM    225 HG22 THR A  14      -9.788  -3.811  -3.147  1.00  1.62           H  
ATOM    226 HG23 THR A  14     -11.449  -4.406  -3.094  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.677  -4.578  -0.312  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.964  -5.760   0.148  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.619  -5.363   0.734  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.781  -4.771   0.049  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.768  -6.746  -1.005  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -8.058  -7.413  -1.452  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -7.874  -8.194  -2.743  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -6.862  -9.236  -2.619  1.00  1.27           N  
ATOM    235  CZ  ARG A  15      -6.408  -9.955  -3.643  1.00  1.98           C  
ATOM    236  NH1 ARG A  15      -6.916  -9.787  -4.858  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15      -5.456 -10.856  -3.446  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.199  -3.917  -0.855  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.558  -6.227   0.918  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -6.349  -6.217  -1.847  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -6.077  -7.514  -0.692  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.383  -8.092  -0.678  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -8.808  -6.652  -1.603  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -8.814  -8.653  -3.008  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -7.577  -7.510  -3.523  1.00  1.50           H  
ATOM    246  HE  ARG A  15      -6.491  -9.404  -1.722  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -7.646  -9.115  -5.012  1.00  2.52           H  
ATOM    248 HH12 ARG A  15      -6.573 -10.332  -5.627  1.00  3.13           H  
ATOM    249 HH21 ARG A  15      -5.078 -10.995  -2.527  1.00  2.68           H  
ATOM    250 HH22 ARG A  15      -5.110 -11.400  -4.215  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.425  -5.707   2.004  1.00  0.15           N  
ATOM    252  CA  SER A  16      -4.232  -5.318   2.744  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.982  -5.904   2.108  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.930  -5.270   2.086  1.00  0.17           O  
ATOM    255  CB  SER A  16      -4.359  -5.765   4.200  1.00  0.24           C  
ATOM    256  OG  SER A  16      -4.785  -7.116   4.283  1.00  1.27           O  
ATOM    257  H   SER A  16      -6.101  -6.255   2.456  1.00  0.17           H  
ATOM    258  HA  SER A  16      -4.162  -4.243   2.712  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -3.400  -5.671   4.688  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -5.084  -5.141   4.704  1.00  1.05           H  
ATOM    261  HG  SER A  16      -4.012  -7.686   4.409  1.00  1.61           H  
HETATM  262  OE1 B3D A  17      -0.521 -10.609   0.182  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -0.442  -9.764   1.104  1.00  1.42           C  
HETATM  264  OE2 B3D A  17       0.641  -9.448   1.635  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.716  -9.104   1.606  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -1.997  -7.750   0.931  1.00  0.19           C  
HETATM  267  N   B3D A  17      -3.104  -7.112   1.586  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.334  -8.034  -0.532  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.828  -6.980  -1.480  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.622  -6.806  -1.665  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -1.624  -8.953   2.670  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -2.543  -9.771   1.415  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -1.147  -7.048   0.999  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.964  -7.580   1.655  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.896  -8.978  -0.811  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.406  -8.095  -0.641  1.00  0.15           H  
ATOM    277  N   GLU A  18      -2.770  -6.244  -2.061  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.462  -5.228  -3.055  1.00  0.21           C  
ATOM    279  C   GLU A  18      -1.981  -3.942  -2.397  1.00  0.15           C  
ATOM    280  O   GLU A  18      -1.261  -3.157  -3.010  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -3.694  -4.951  -3.916  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -4.149  -6.159  -4.717  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -3.111  -6.614  -5.724  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -2.212  -7.392  -5.341  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -3.184  -6.194  -6.899  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.704  -6.388  -1.809  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -1.675  -5.611  -3.684  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.508  -4.643  -3.274  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -3.468  -4.151  -4.604  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -4.348  -6.972  -4.037  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -5.054  -5.902  -5.244  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.392  -3.724  -1.157  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.953  -2.561  -0.406  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.470  -2.687  -0.067  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.322  -1.791  -0.361  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.818  -2.412   0.857  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -2.529  -1.213   1.776  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -1.458  -1.558   2.798  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -2.121   0.015   0.973  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.019  -4.355  -0.737  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -2.093  -1.694  -1.032  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.849  -2.347   0.545  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.704  -3.312   1.441  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -3.430  -0.968   2.317  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -1.301  -0.714   3.449  1.00  1.31           H  
ATOM    306 HD12 LEU A  19      -0.537  -1.799   2.289  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -1.780  -2.407   3.382  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -1.219  -0.197   0.418  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -1.943   0.842   1.645  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -2.911   0.275   0.289  1.00  1.36           H  
ATOM    311  N   GLN A  20      -0.099  -3.808   0.533  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.288  -4.047   0.897  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.146  -4.253  -0.346  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.186  -3.611  -0.508  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.405  -5.263   1.812  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.812  -5.465   2.344  1.00  0.37           C  
ATOM    317  CD  GLN A  20       2.957  -6.719   3.181  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       3.281  -7.788   2.665  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       2.725  -6.598   4.480  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.778  -4.482   0.753  1.00  0.16           H  
ATOM    321  HA  GLN A  20       1.645  -3.178   1.425  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       0.734  -5.138   2.649  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.118  -6.144   1.260  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       3.489  -5.536   1.506  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.080  -4.611   2.946  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       2.473  -5.714   4.829  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       2.815  -7.396   5.043  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.709  -5.145  -1.228  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.443  -5.414  -2.434  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.453  -6.932  -2.683  1.00  0.29           C  
HETATM  331  CG  HMR A  21       2.792  -7.767  -1.457  1.00  0.51           C  
HETATM  332  CD  HMR A  21       4.229  -7.568  -1.002  1.00  0.94           C  
HETATM  333  NE  HMR A  21       4.551  -8.403   0.159  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       5.654  -9.150   0.264  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       6.549  -9.170  -0.714  1.00  1.94           N  
HETATM  336  NH2 HMR A  21       5.857  -9.884   1.350  1.00  3.01           N  
HETATM  337  C   HMR A  21       2.182  -3.379  -3.943  1.00  0.17           C  
HETATM  338  O   HMR A  21       3.225  -3.143  -4.560  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.751  -4.790  -3.649  1.00  0.16           C  
HETATM  340  H   HMR A  21       0.864  -5.624  -1.061  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.455  -4.985  -2.296  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       3.176  -7.151  -3.454  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.475  -7.228  -3.029  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       2.641  -8.809  -1.696  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       2.132  -7.484  -0.652  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       4.371  -6.531  -0.739  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       4.889  -7.826  -1.816  1.00  1.23           H  
HETATM  348  HE  HMR A  21       3.900  -8.409   0.904  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       6.407  -8.624  -1.543  1.00  1.68           H  
HETATM  350 HH21 HMR A  21       6.689 -10.446   1.433  1.00  3.31           H  
HETATM  351 HH22 HMR A  21       5.185  -9.884   2.095  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.967  -5.393  -4.517  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.683  -4.787  -3.480  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       7.377  -9.734  -0.628  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.373  -2.432  -3.486  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.603  -1.021  -3.740  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.744  -0.470  -2.885  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.704   0.079  -3.425  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.315  -0.224  -3.496  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.515   1.256  -3.548  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.316   2.042  -4.679  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       0.976   2.090  -2.588  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       0.678   3.297  -4.369  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       1.075   3.346  -3.125  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.584  -2.695  -2.962  1.00  0.18           H  
ATOM    366  HA  HIS A  22       1.879  -0.919  -4.777  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.413  -0.487  -4.247  1.00  0.25           H  
ATOM    368  HB3 HIS A  22      -0.075  -0.473  -2.520  1.00  0.25           H  
ATOM    369  HD1 HIS A  22      -0.029   1.737  -5.546  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.210   1.825  -1.569  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       0.644   4.138  -5.046  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.634  -0.611  -1.558  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.628  -0.046  -0.641  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.026  -0.454  -1.078  1.00  0.17           C  
ATOM    375  O   LYS A  23       5.932   0.379  -1.179  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.351  -0.480   0.803  1.00  0.27           C  
ATOM    377  CG  LYS A  23       4.341   0.075   1.826  1.00  0.73           C  
ATOM    378  CD  LYS A  23       4.456   1.598   1.766  1.00  0.61           C  
ATOM    379  CE  LYS A  23       3.116   2.292   1.993  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       2.600   2.084   3.372  1.00  1.01           N1+
ATOM    381  H   LYS A  23       1.871  -1.113  -1.191  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.553   1.029  -0.704  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       2.359  -0.150   1.080  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       3.384  -1.558   0.853  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       4.013  -0.208   2.814  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       5.313  -0.356   1.634  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       5.148   1.925   2.531  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       4.839   1.879   0.795  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       3.240   3.351   1.823  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       2.398   1.899   1.288  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       2.435   1.074   3.549  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       1.702   2.596   3.501  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       3.287   2.439   4.067  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.190  -1.731  -1.370  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.446  -2.216  -1.854  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.749  -3.586  -1.232  1.00  0.30           C  
HETATM  397  CG  HMR A  24       8.049  -4.207  -1.714  1.00  0.34           C  
HETATM  398  CD  HMR A  24       8.361  -5.497  -0.978  1.00  0.50           C  
HETATM  399  NE  HMR A  24       9.511  -6.187  -1.557  1.00  0.95           N  
HETATM  400  CZ  HMR A  24      10.044  -7.304  -1.061  1.00  1.35           C  
HETATM  401  NH1 HMR A  24      11.077  -7.869  -1.672  1.00  1.85           N  
HETATM  402  NH2 HMR A  24       9.539  -7.863   0.034  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.085  -1.288  -4.128  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.276  -1.387  -4.419  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.369  -2.381  -3.373  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.436  -2.356  -1.260  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.200  -1.453  -1.593  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       5.942  -4.263  -1.470  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       6.807  -3.473  -0.161  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       8.852  -3.506  -1.550  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       7.965  -4.422  -2.767  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.498  -6.144  -1.029  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       8.576  -5.264   0.054  1.00  0.77           H  
HETATM  414  HE  HMR A  24       9.908  -5.793  -2.367  1.00  1.18           H  
HETATM  415  HH1 HMR A  24      11.458  -7.461  -2.503  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       8.753  -7.452   0.495  1.00  1.35           H  
HETATM  417 HH22 HMR A  24       9.944  -8.706   0.405  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       6.810  -3.323  -3.645  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.333  -2.375  -3.675  1.00  0.23           H  
HETATM  420  HH2 HMR A  24      11.482  -8.711  -1.303  1.00  2.15           H  
ATOM    421  N   THR A  25       6.349  -0.225  -4.436  1.00  0.16           N  
ATOM    422  CA  THR A  25       6.875   0.858  -5.250  1.00  0.23           C  
ATOM    423  C   THR A  25       7.618   1.893  -4.396  1.00  0.22           C  
ATOM    424  O   THR A  25       8.513   2.587  -4.886  1.00  0.34           O  
ATOM    425  CB  THR A  25       5.754   1.538  -6.076  1.00  0.34           C  
ATOM    426  OG1 THR A  25       6.319   2.351  -7.111  1.00  1.33           O  
ATOM    427  CG2 THR A  25       4.847   2.397  -5.205  1.00  1.09           C  
ATOM    428  H   THR A  25       5.423  -0.170  -4.105  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.579   0.425  -5.944  1.00  0.30           H  
ATOM    430  HB  THR A  25       5.153   0.764  -6.531  1.00  0.94           H  
ATOM    431  HG1 THR A  25       7.029   1.860  -7.545  1.00  1.98           H  
ATOM    432 HG21 THR A  25       4.106   2.879  -5.825  1.00  1.66           H  
ATOM    433 HG22 THR A  25       5.436   3.148  -4.701  1.00  1.47           H  
ATOM    434 HG23 THR A  25       4.354   1.777  -4.474  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.266   1.990  -3.118  1.00  0.20           N  
ATOM    436  CA  HIS A  26       7.951   2.916  -2.224  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.089   2.202  -1.509  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.245   2.620  -1.572  1.00  0.38           O  
ATOM    439  CB  HIS A  26       7.007   3.503  -1.172  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.799   4.211  -1.704  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.831   5.397  -2.437  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.489   3.910  -1.534  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.553   5.768  -2.667  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.740   4.892  -2.136  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.544   1.421  -2.766  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.358   3.717  -2.823  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.655   2.702  -0.539  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.559   4.206  -0.564  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.637   5.882  -2.725  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       4.093   3.054  -1.014  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.248   6.659  -3.196  1.00  0.37           H  
HETATM  452  CG  B3T A  27       9.397   0.315   1.414  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       8.090  -0.240   1.624  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       9.459   1.716   2.002  1.00  0.76           C  
HETATM  455  CA  B3T A  27       9.722   0.330  -0.084  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.744   1.116  -0.832  1.00  0.36           N  
HETATM  457  CB  B3T A  27       9.781  -1.095  -0.647  1.00  0.62           C  
HETATM  458  C   B3T A  27      11.138  -1.749  -0.474  1.00  0.82           C  
HETATM  459  O   B3T A  27      11.762  -1.629   0.582  1.00  1.03           O  
HETATM  460  HG  B3T A  27      10.126  -0.301   1.914  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       8.129  -1.199   1.503  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27       8.752   2.352   1.491  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27      10.454   2.114   1.879  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27       9.214   1.676   3.053  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.681   0.795  -0.188  1.00  0.52           H  
HETATM  466  H   B3T A  27       7.801   0.834  -0.827  1.00  0.39           H  
HETATM  467  HB1 B3T A  27       9.549  -1.063  -1.700  1.00  0.63           H  
HETATM  468  HB2 B3T A  27       9.046  -1.702  -0.142  1.00  0.70           H  
ATOM    469  N   GLY A  28      11.585  -2.465  -1.500  1.00  1.30           N  
ATOM    470  CA  GLY A  28      12.887  -3.107  -1.451  1.00  1.53           C  
ATOM    471  C   GLY A  28      12.955  -4.213  -0.413  1.00  1.68           C  
ATOM    472  O   GLY A  28      12.520  -5.336  -0.664  1.00  2.18           O  
ATOM    473  H   GLY A  28      11.025  -2.566  -2.299  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      13.104  -3.529  -2.422  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      13.633  -2.364  -1.220  1.00  1.58           H  
ATOM    476  N   GLU A  29      13.505  -3.894   0.752  1.00  1.96           N  
ATOM    477  CA  GLU A  29      13.605  -4.853   1.847  1.00  2.41           C  
ATOM    478  C   GLU A  29      12.286  -4.933   2.610  1.00  2.39           C  
ATOM    479  O   GLU A  29      11.938  -5.974   3.169  1.00  3.19           O  
ATOM    480  CB  GLU A  29      14.724  -4.449   2.811  1.00  3.15           C  
ATOM    481  CG  GLU A  29      16.108  -4.419   2.183  1.00  3.91           C  
ATOM    482  CD  GLU A  29      16.586  -5.785   1.733  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      16.940  -6.609   2.599  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      16.601  -6.046   0.511  1.00  4.51           O1-
ATOM    485  H   GLU A  29      13.856  -2.986   0.879  1.00  2.25           H  
ATOM    486  HA  GLU A  29      13.830  -5.819   1.424  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      14.509  -3.467   3.199  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      14.745  -5.149   3.631  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      16.083  -3.767   1.323  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      16.807  -4.031   2.908  1.00  4.26           H  
ATOM    491  N   LYS A  30      11.553  -3.831   2.630  1.00  1.95           N  
ATOM    492  CA  LYS A  30      10.312  -3.759   3.386  1.00  2.32           C  
ATOM    493  C   LYS A  30       9.113  -3.964   2.473  1.00  2.89           C  
ATOM    494  O   LYS A  30       8.524  -3.008   1.961  1.00  3.15           O  
ATOM    495  CB  LYS A  30      10.203  -2.418   4.116  1.00  2.23           C  
ATOM    496  CG  LYS A  30      11.303  -2.197   5.141  1.00  2.98           C  
ATOM    497  CD  LYS A  30      11.166  -0.850   5.829  1.00  3.35           C  
ATOM    498  CE  LYS A  30      12.236  -0.668   6.891  1.00  3.96           C  
ATOM    499  NZ  LYS A  30      12.120   0.643   7.578  1.00  4.54           N1+
ATOM    500  H   LYS A  30      11.846  -3.049   2.111  1.00  1.83           H  
ATOM    501  HA  LYS A  30      10.327  -4.555   4.118  1.00  2.86           H  
ATOM    502  HB2 LYS A  30      10.252  -1.622   3.392  1.00  2.41           H  
ATOM    503  HB3 LYS A  30       9.252  -2.372   4.626  1.00  2.30           H  
ATOM    504  HG2 LYS A  30      11.248  -2.977   5.885  1.00  3.30           H  
ATOM    505  HG3 LYS A  30      12.261  -2.241   4.641  1.00  3.48           H  
ATOM    506  HD2 LYS A  30      11.268  -0.066   5.091  1.00  3.50           H  
ATOM    507  HD3 LYS A  30      10.194  -0.788   6.294  1.00  3.54           H  
ATOM    508  HE2 LYS A  30      12.136  -1.458   7.620  1.00  4.07           H  
ATOM    509  HE3 LYS A  30      13.206  -0.735   6.421  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30      12.790   0.691   8.373  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30      11.158   0.776   7.943  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30      12.337   1.414   6.915  1.00  4.84           H  
HETATM  513  N   NH2 A  31       8.744  -5.215   2.279  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31       9.263  -5.926   2.719  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31       7.964  -5.385   1.713  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.748   4.942  -2.155  1.00  0.26          ZN  
ENDMDL                                                                          
MODEL        4                                                                  
ATOM      1  N   PRO A   1     -11.842   0.780   3.518  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.747   0.330   2.630  1.00  0.45           C  
ATOM      3  C   PRO A   1      -9.398   0.539   3.301  1.00  0.37           C  
ATOM      4  O   PRO A   1      -9.279   1.317   4.250  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -10.819   1.111   1.333  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -12.230   1.569   1.297  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -12.658   1.741   2.740  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -11.370   1.142   4.365  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -12.286  -0.104   3.856  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -10.880  -0.724   2.423  1.00  1.10           H  
ATOM     11  HB2 PRO A   1     -10.129   1.942   1.367  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -10.588   0.467   0.496  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -12.292   2.512   0.773  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -12.846   0.829   0.809  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -12.462   2.751   3.066  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -13.709   1.517   2.844  1.00  1.32           H  
ATOM     17  N   PHE A   2      -8.385  -0.155   2.806  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -7.048  -0.061   3.366  1.00  0.26           C  
ATOM     19  C   PHE A   2      -6.315   1.118   2.746  1.00  0.26           C  
ATOM     20  O   PHE A   2      -6.440   1.361   1.548  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -6.272  -1.354   3.111  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.864  -2.550   3.798  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -7.763  -3.364   3.134  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.525  -2.859   5.104  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -8.313  -4.466   3.759  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -7.070  -3.958   5.735  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -7.952  -4.761   5.075  1.00  0.35           C  
ATOM     28  H   PHE A   2      -8.533  -0.729   2.022  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -7.139   0.096   4.429  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -6.253  -1.553   2.049  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -5.258  -1.234   3.467  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -8.033  -3.134   2.114  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -5.823  -2.229   5.633  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -9.013  -5.093   3.230  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -6.798  -4.189   6.754  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -8.374  -5.622   5.570  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.550   1.877   3.535  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -6.472   6.981   4.136  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -7.182   5.734   4.623  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -6.798   4.537   3.769  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -5.317   4.212   3.888  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -4.862   3.056   2.991  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -5.388   1.522   4.964  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.343   2.938   3.016  1.00  0.39           C  
HETATM   45  O   9KK A   3      -2.757   2.286   3.885  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -6.724   7.159   3.101  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -6.782   7.827   4.732  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -5.404   6.849   4.228  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -6.898   5.550   5.648  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -8.247   5.895   4.558  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -7.373   3.679   4.090  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -7.024   4.756   2.740  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -4.755   5.094   3.622  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -5.107   3.959   4.917  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -5.178   3.252   1.976  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -4.532   2.040   5.369  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -6.274   1.810   5.510  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -5.238   0.457   5.055  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.708   3.559   2.039  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.265   3.661   2.027  1.00  0.30           C  
ATOM     61  C   CYS A   4      -0.823   4.649   3.101  1.00  0.67           C  
ATOM     62  O   CYS A   4      -0.064   4.288   4.000  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.761   4.099   0.647  1.00  0.29           C  
ATOM     64  SG  CYS A   4       1.020   4.394   0.606  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.228   3.956   1.305  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -0.861   2.690   2.261  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -0.988   3.329  -0.076  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.258   5.014   0.363  1.00  0.45           H  
ATOM     69  N   THR A   5      -1.314   5.879   3.012  1.00  0.40           N  
ATOM     70  CA  THR A   5      -1.002   6.911   3.995  1.00  0.47           C  
ATOM     71  C   THR A   5       0.515   7.109   4.117  1.00  0.41           C  
ATOM     72  O   THR A   5       1.062   7.253   5.214  1.00  0.54           O  
ATOM     73  CB  THR A   5      -1.603   6.558   5.372  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -2.890   5.947   5.194  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -1.757   7.800   6.239  1.00  1.47           C  
ATOM     76  H   THR A   5      -1.908   6.101   2.268  1.00  1.12           H  
ATOM     77  HA  THR A   5      -1.447   7.835   3.658  1.00  0.62           H  
ATOM     78  HB  THR A   5      -0.944   5.863   5.872  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -3.465   6.192   5.929  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -2.151   7.519   7.204  1.00  1.77           H  
ATOM     81 HG22 THR A   5      -2.435   8.493   5.761  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -0.793   8.270   6.367  1.00  1.94           H  
ATOM     83  N   TRP A   6       1.189   7.067   2.978  1.00  0.37           N  
ATOM     84  CA  TRP A   6       2.608   7.365   2.909  1.00  0.47           C  
ATOM     85  C   TRP A   6       2.760   8.855   2.640  1.00  0.61           C  
ATOM     86  O   TRP A   6       1.798   9.499   2.219  1.00  0.63           O  
ATOM     87  CB  TRP A   6       3.255   6.531   1.793  1.00  0.47           C  
ATOM     88  CG  TRP A   6       4.757   6.527   1.784  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       5.577   7.479   1.254  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       5.614   5.499   2.293  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       6.890   7.121   1.432  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       6.940   5.908   2.060  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       5.392   4.277   2.930  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       8.036   5.136   2.441  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       6.480   3.513   3.306  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       7.786   3.945   3.061  1.00  0.94           C  
ATOM     97  H   TRP A   6       0.712   6.840   2.153  1.00  0.38           H  
ATOM     98  HA  TRP A   6       3.062   7.122   3.858  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       2.929   5.509   1.890  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       2.925   6.910   0.844  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       5.230   8.386   0.785  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       7.670   7.649   1.147  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       4.392   3.925   3.128  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       9.051   5.456   2.259  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       6.327   2.566   3.798  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       8.605   3.315   3.371  1.00  1.05           H  
HETATM  107  N   AIB A   7       3.939   9.397   2.908  1.00  0.79           N  
HETATM  108  CA  AIB A   7       4.223  10.817   2.674  1.00  0.99           C  
HETATM  109  C   AIB A   7       3.874  11.188   1.218  1.00  0.94           C  
HETATM  110  O   AIB A   7       4.590  10.814   0.287  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       5.695  11.077   2.924  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       3.437  11.671   3.656  1.00  1.13           C  
HETATM  113  H   AIB A   7       4.643   8.830   3.280  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       5.909  12.123   2.758  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       6.285  10.479   2.247  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       5.940  10.817   3.942  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       2.386  11.446   3.565  1.00  1.35           H  
HETATM  118 HB22 AIB A   7       3.602  12.714   3.437  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       3.765  11.456   4.662  1.00  1.63           H  
ATOM    120  N   GLY A   8       2.766  11.902   1.030  1.00  0.95           N  
ATOM    121  CA  GLY A   8       2.374  12.344  -0.297  1.00  0.93           C  
ATOM    122  C   GLY A   8       1.653  11.274  -1.097  1.00  0.76           C  
ATOM    123  O   GLY A   8       1.486  11.407  -2.310  1.00  0.83           O  
ATOM    124  H   GLY A   8       2.211  12.137   1.801  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       1.723  13.200  -0.199  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       3.262  12.642  -0.839  1.00  0.99           H  
ATOM    127  N   CYS A   9       1.217  10.217  -0.427  1.00  0.61           N  
ATOM    128  CA  CYS A   9       0.572   9.106  -1.104  1.00  0.55           C  
ATOM    129  C   CYS A   9      -0.560   8.520  -0.257  1.00  0.92           C  
ATOM    130  O   CYS A   9      -0.345   7.599   0.536  1.00  1.94           O  
ATOM    131  CB  CYS A   9       1.614   8.036  -1.414  1.00  0.42           C  
ATOM    132  SG  CYS A   9       1.007   6.667  -2.418  1.00  0.36           S  
ATOM    133  H   CYS A   9       1.345  10.178   0.545  1.00  0.60           H  
ATOM    134  HA  CYS A   9       0.163   9.474  -2.032  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       2.442   8.489  -1.939  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       1.970   7.627  -0.487  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.765   9.049  -0.434  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -2.916   8.563   0.311  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.757   7.599  -0.504  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.985   7.686  -0.511  1.00  0.90           O  
ATOM    141  H   GLY A  10      -1.880   9.779  -1.078  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -2.570   8.060   1.202  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -3.527   9.404   0.599  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.086   6.686  -1.196  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -3.746   5.698  -2.048  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.624   4.748  -1.231  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.301   4.435  -0.085  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -2.688   4.891  -2.807  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -1.877   5.705  -3.800  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -2.665   6.001  -5.061  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -1.829   6.777  -6.063  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -2.508   6.890  -7.379  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -2.111   6.679  -1.136  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.363   6.227  -2.755  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -2.007   4.458  -2.091  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.181   4.093  -3.345  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -1.596   6.639  -3.338  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -0.987   5.149  -4.062  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -2.970   5.066  -5.509  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -3.537   6.582  -4.804  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -1.651   7.769  -5.675  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -0.886   6.271  -6.198  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -1.907   7.414  -8.046  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -3.411   7.395  -7.278  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -2.694   5.942  -7.768  1.00  1.93           H  
HETATM  166  N   MMO A  12      -5.748   4.278  -1.805  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.612   3.305  -1.103  1.00  0.17           C  
HETATM  168  C   MMO A  12      -6.799   1.995  -1.873  1.00  0.14           C  
HETATM  169  O   MMO A  12      -6.915   1.977  -3.101  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -7.954   4.024  -0.936  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -7.891   5.235  -0.021  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -9.263   5.857   0.169  1.00  0.55           C  
HETATM  173  NE  MMO A  12      -9.809   6.374  -1.085  1.00  1.09           N  
HETATM  174  CZ  MMO A  12     -11.096   6.647  -1.285  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -11.983   6.447  -0.317  1.00  1.59           N  
HETATM  176  NH1 MMO A  12     -11.501   7.117  -2.458  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.123   4.750  -3.158  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -6.211   3.074  -0.128  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.669   3.328  -0.523  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.300   4.349  -1.905  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -7.229   5.970  -0.457  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -7.506   4.929   0.938  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12      -9.184   6.667   0.879  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.932   5.102   0.556  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -11.689   6.091   0.572  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -12.954   6.654  -0.473  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -12.471   7.321  -2.611  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -5.268   4.675  -3.815  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -6.448   5.778  -3.104  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -6.924   4.138  -3.544  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -9.174   6.524  -1.824  1.00  1.66           H  
HETATM  192 HH12 MMO A  12     -10.835   7.276  -3.196  1.00  3.06           H  
ATOM    193  N   PHE A  13      -6.834   0.898  -1.137  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -6.905  -0.430  -1.728  1.00  0.12           C  
ATOM    195  C   PHE A  13      -7.921  -1.294  -0.996  1.00  0.16           C  
ATOM    196  O   PHE A  13      -8.343  -0.975   0.118  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.525  -1.088  -1.690  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.508  -0.341  -2.500  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.273  -0.689  -3.818  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.775   0.690  -1.939  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.324  -0.026  -4.563  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -2.826   1.361  -2.682  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.660   1.079  -3.999  1.00  0.36           C  
ATOM    204  H   PHE A  13      -6.812   0.981  -0.159  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.214  -0.322  -2.756  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.176  -1.122  -0.669  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.596  -2.091  -2.079  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -4.838  -1.496  -4.262  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -3.955   0.972  -0.911  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.152  -0.309  -5.592  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.258   2.165  -2.235  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -1.941   1.635  -4.583  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.305  -2.389  -1.633  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.349  -3.259  -1.113  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.784  -4.321  -0.169  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.449  -4.732   0.780  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.112  -3.936  -2.272  1.00  0.46           C  
ATOM    218  OG1 THR A  14     -10.529  -2.937  -3.217  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -11.332  -4.693  -1.764  1.00  0.93           C  
ATOM    220  H   THR A  14      -7.873  -2.621  -2.484  1.00  0.30           H  
ATOM    221  HA  THR A  14     -10.047  -2.647  -0.564  1.00  0.34           H  
ATOM    222  HB  THR A  14      -9.450  -4.634  -2.765  1.00  1.25           H  
ATOM    223  HG1 THR A  14      -9.772  -2.673  -3.756  1.00  1.99           H  
ATOM    224 HG21 THR A  14     -11.018  -5.464  -1.076  1.00  1.54           H  
ATOM    225 HG22 THR A  14     -11.850  -5.143  -2.598  1.00  1.62           H  
ATOM    226 HG23 THR A  14     -11.995  -4.007  -1.257  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.561  -4.764  -0.428  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.927  -5.769   0.416  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.633  -5.245   1.015  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.884  -4.507   0.367  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.638  -7.029  -0.386  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -7.881  -7.755  -0.863  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -7.508  -8.984  -1.666  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -8.672  -9.741  -2.109  1.00  1.27           N  
ATOM    235  CZ  ARG A  15      -8.593 -10.866  -2.816  1.00  1.98           C  
ATOM    236  NH1 ARG A  15      -7.406 -11.354  -3.157  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15      -9.695 -11.501  -3.180  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.075  -4.418  -1.208  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.610  -6.009   1.216  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -6.050  -6.762  -1.249  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -6.066  -7.706   0.229  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.461  -8.058  -0.004  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -8.465  -7.089  -1.481  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -6.949  -8.672  -2.533  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -6.889  -9.622  -1.052  1.00  1.50           H  
ATOM    246  HE  ARG A  15      -9.561  -9.393  -1.864  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -6.566 -10.881  -2.882  1.00  2.52           H  
ATOM    248 HH12 ARG A  15      -7.344 -12.204  -3.688  1.00  3.13           H  
ATOM    249 HH21 ARG A  15     -10.596 -11.139  -2.922  1.00  2.68           H  
ATOM    250 HH22 ARG A  15      -9.637 -12.348  -3.715  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.375  -5.658   2.252  1.00  0.15           N  
ATOM    252  CA  SER A  16      -4.195  -5.232   2.990  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.923  -5.751   2.338  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.881  -5.094   2.382  1.00  0.17           O  
ATOM    255  CB  SER A  16      -4.287  -5.711   4.438  1.00  0.24           C  
ATOM    256  OG  SER A  16      -4.606  -7.093   4.501  1.00  1.27           O  
ATOM    257  H   SER A  16      -6.008  -6.274   2.689  1.00  0.17           H  
ATOM    258  HA  SER A  16      -4.171  -4.153   2.978  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -3.339  -5.551   4.928  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -5.056  -5.154   4.950  1.00  1.05           H  
ATOM    261  HG  SER A  16      -3.899  -7.564   4.959  1.00  1.61           H  
HETATM  262  OE1 B3D A  17       0.000 -10.049   0.360  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -0.053  -9.263   1.331  1.00  1.42           C  
HETATM  264  OE2 B3D A  17       0.969  -8.873   1.937  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.412  -8.768   1.801  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -1.868  -7.494   1.072  1.00  0.19           C  
HETATM  267  N   B3D A  17      -3.002  -6.932   1.746  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.233  -7.894  -0.356  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.907  -6.827  -1.364  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.741  -6.567  -1.667  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -1.354  -8.566   2.858  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -2.136  -9.550   1.629  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -1.094  -6.703   1.061  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.847  -7.433   1.778  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.688  -8.788  -0.616  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.292  -8.096  -0.405  1.00  0.15           H  
ATOM    277  N   GLU A  18      -2.957  -6.182  -1.864  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.825  -5.101  -2.828  1.00  0.21           C  
ATOM    279  C   GLU A  18      -2.109  -3.911  -2.201  1.00  0.15           C  
ATOM    280  O   GLU A  18      -1.260  -3.285  -2.830  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -4.205  -4.660  -3.310  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -5.062  -5.797  -3.838  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -6.464  -5.348  -4.188  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -7.080  -4.627  -3.376  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -6.957  -5.720  -5.276  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.852  -6.445  -1.575  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -2.251  -5.462  -3.666  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.729  -4.201  -2.485  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -4.085  -3.931  -4.098  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -4.597  -6.204  -4.724  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -5.124  -6.564  -3.083  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.464  -3.606  -0.959  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.876  -2.486  -0.247  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.382  -2.717  -0.019  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.445  -1.905  -0.428  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.627  -2.275   1.079  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -2.208  -1.073   1.940  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -0.990  -1.398   2.787  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -1.937   0.142   1.072  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.153  -4.147  -0.509  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -1.999  -1.608  -0.863  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.677  -2.168   0.851  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.504  -3.169   1.673  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -3.017  -0.827   2.610  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -1.223  -2.214   3.453  1.00  1.31           H  
ATOM    306 HD12 LEU A  19      -0.710  -0.529   3.363  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -0.170  -1.682   2.142  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -2.820   0.376   0.500  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -1.116  -0.067   0.402  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -1.684   0.979   1.700  1.00  1.36           H  
ATOM    311  N   GLN A  20      -0.045  -3.826   0.626  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.345  -4.129   0.950  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.182  -4.320  -0.314  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.238  -3.703  -0.474  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.436  -5.378   1.830  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.840  -5.663   2.344  1.00  0.37           C  
ATOM    317  CD  GLN A  20       3.221  -4.846   3.572  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       4.037  -5.283   4.381  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       2.626  -3.675   3.741  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.751  -4.449   0.906  1.00  0.16           H  
ATOM    321  HA  GLN A  20       1.742  -3.288   1.496  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       0.783  -5.254   2.681  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.108  -6.232   1.257  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       2.907  -6.708   2.600  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.544  -5.444   1.554  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       1.969  -3.388   3.079  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       2.873  -3.140   4.529  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.721  -5.168  -1.217  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.450  -5.395  -2.431  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.708  -6.896  -2.586  1.00  0.29           C  
HETATM  331  CG  HMR A  21       3.456  -7.488  -1.405  1.00  0.51           C  
HETATM  332  CD  HMR A  21       3.746  -8.966  -1.591  1.00  0.94           C  
HETATM  333  NE  HMR A  21       4.438  -9.521  -0.431  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       5.300 -10.532  -0.485  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       5.580 -11.116  -1.645  1.00  1.94           N  
HETATM  336  NH2 HMR A  21       5.900 -10.947   0.621  1.00  3.01           N  
HETATM  337  C   HMR A  21       2.046  -3.533  -4.067  1.00  0.17           C  
HETATM  338  O   HMR A  21       2.961  -3.326  -4.867  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.664  -4.926  -3.652  1.00  0.16           C  
HETATM  340  H   HMR A  21       0.869  -5.638  -1.063  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.387  -4.809  -2.337  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       3.292  -7.064  -3.477  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.762  -7.405  -2.680  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       2.858  -7.357  -0.514  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       4.393  -6.964  -1.289  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       4.366  -9.093  -2.465  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       2.813  -9.490  -1.730  1.00  1.23           H  
HETATM  348  HE  HMR A  21       4.237  -9.119   0.445  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       5.141 -10.800  -2.491  1.00  1.68           H  
HETATM  350 HH21 HMR A  21       6.552 -11.711   0.586  1.00  3.31           H  
HETATM  351 HH22 HMR A  21       5.704 -10.504   1.498  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.861  -5.595  -4.475  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.607  -4.937  -3.425  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       6.233 -11.878  -1.683  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.343  -2.568  -3.492  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.598  -1.163  -3.742  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.813  -0.671  -2.957  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.740  -0.114  -3.549  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.352  -0.341  -3.390  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.607   1.131  -3.311  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.528   2.003  -4.393  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       0.996   1.878  -2.250  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       0.882   3.222  -3.955  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       1.166   3.169  -2.680  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.612  -2.816  -2.882  1.00  0.18           H  
ATOM    366  HA  HIS A  22       1.800  -1.050  -4.793  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.403  -0.508  -4.142  1.00  0.25           H  
ATOM    368  HB3 HIS A  22      -0.024  -0.667  -2.432  1.00  0.25           H  
ATOM    369  HD1 HIS A  22       0.272   1.767  -5.312  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.135   1.531  -1.238  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       0.922   4.113  -4.564  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.799  -0.873  -1.630  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.888  -0.408  -0.758  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.232  -0.766  -1.356  1.00  0.17           C  
ATOM    375  O   LYS A  23       6.132   0.072  -1.449  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.773  -1.009   0.644  1.00  0.27           C  
ATOM    377  CG  LYS A  23       2.615  -0.466   1.462  1.00  0.73           C  
ATOM    378  CD  LYS A  23       2.841   0.986   1.839  1.00  0.61           C  
ATOM    379  CE  LYS A  23       1.788   1.470   2.819  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       2.104   2.822   3.348  1.00  1.01           N1+
ATOM    381  H   LYS A  23       2.039  -1.349  -1.229  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.819   0.665  -0.688  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       3.650  -2.079   0.556  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       4.689  -0.807   1.180  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       1.708  -0.540   0.879  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       2.514  -1.053   2.363  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       3.817   1.086   2.291  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       2.793   1.592   0.946  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       0.834   1.505   2.314  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       1.733   0.774   3.641  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       3.012   2.805   3.858  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       1.359   3.132   4.010  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       2.165   3.509   2.571  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.365  -2.012  -1.768  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.573  -2.453  -2.396  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.787  -3.935  -2.067  1.00  0.30           C  
HETATM  397  CG  HMR A  24       8.048  -4.539  -2.655  1.00  0.34           C  
HETATM  398  CD  HMR A  24       8.226  -5.968  -2.183  1.00  0.50           C  
HETATM  399  NE  HMR A  24       9.370  -6.623  -2.809  1.00  0.95           N  
HETATM  400  CZ  HMR A  24       9.719  -7.886  -2.571  1.00  1.35           C  
HETATM  401  NH1 HMR A  24      10.768  -8.411  -3.186  1.00  1.85           N  
HETATM  402  NH2 HMR A  24       9.016  -8.626  -1.719  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.166  -1.095  -4.473  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.375  -1.120  -4.720  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.453  -2.308  -3.917  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.623  -2.648  -1.631  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.384  -1.808  -2.012  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       5.942  -4.495  -2.438  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       6.833  -4.046  -0.994  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       8.900  -3.955  -2.342  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       7.975  -4.532  -3.731  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.331  -6.523  -2.418  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       8.372  -5.962  -1.112  1.00  0.77           H  
HETATM  414  HE  HMR A  24       9.906  -6.089  -3.440  1.00  1.18           H  
HETATM  415  HH1 HMR A  24      11.305  -7.860  -3.831  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       8.219  -8.237  -1.250  1.00  1.35           H  
HETATM  417 HH22 HMR A  24       9.278  -9.580  -1.540  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       6.868  -3.185  -4.383  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.408  -2.232  -4.179  1.00  0.23           H  
HETATM  420  HH2 HMR A  24      11.032  -9.362  -3.008  1.00  2.15           H  
ATOM    421  N   THR A  25       6.409  -0.013  -4.652  1.00  0.16           N  
ATOM    422  CA  THR A  25       6.931   1.195  -5.273  1.00  0.23           C  
ATOM    423  C   THR A  25       7.719   2.045  -4.274  1.00  0.22           C  
ATOM    424  O   THR A  25       8.715   2.676  -4.634  1.00  0.34           O  
ATOM    425  CB  THR A  25       5.802   2.039  -5.924  1.00  0.34           C  
ATOM    426  OG1 THR A  25       6.354   3.170  -6.609  1.00  1.33           O  
ATOM    427  CG2 THR A  25       4.791   2.526  -4.894  1.00  1.09           C  
ATOM    428  H   THR A  25       5.472  -0.034  -4.354  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.604   0.887  -6.058  1.00  0.30           H  
ATOM    430  HB  THR A  25       5.286   1.417  -6.639  1.00  0.94           H  
ATOM    431  HG1 THR A  25       6.971   2.865  -7.287  1.00  1.98           H  
ATOM    432 HG21 THR A  25       4.040   3.128  -5.385  1.00  1.66           H  
ATOM    433 HG22 THR A  25       5.295   3.119  -4.147  1.00  1.47           H  
ATOM    434 HG23 THR A  25       4.318   1.677  -4.422  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.297   2.044  -3.015  1.00  0.20           N  
ATOM    436  CA  HIS A  26       7.980   2.821  -1.993  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.194   2.055  -1.504  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.301   2.592  -1.439  1.00  0.38           O  
ATOM    439  CB  HIS A  26       7.059   3.133  -0.807  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.837   3.927  -1.155  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.855   5.247  -1.596  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.530   3.572  -1.091  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.577   5.638  -1.774  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.770   4.653  -1.478  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.523   1.487  -2.764  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.307   3.746  -2.440  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.728   2.203  -0.369  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.617   3.690  -0.068  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.654   5.798  -1.748  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       4.143   2.615  -0.784  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.268   6.617  -2.100  1.00  0.37           H  
HETATM  452  CG  B3T A  27       9.674  -0.744   0.633  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       8.510  -1.557   0.446  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       9.411   0.292   1.715  1.00  0.76           C  
HETATM  455  CA  B3T A  27      10.050  -0.071  -0.692  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.980   0.790  -1.175  1.00  0.36           N  
HETATM  457  CB  B3T A  27      10.383  -1.125  -1.750  1.00  0.62           C  
HETATM  458  C   B3T A  27      11.853  -1.497  -1.768  1.00  0.82           C  
HETATM  459  O   B3T A  27      12.662  -0.915  -1.043  1.00  1.03           O  
HETATM  460  HG  B3T A  27      10.496  -1.369   0.943  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       8.775  -2.489   0.408  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27      10.302   0.882   1.870  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27       9.145  -0.206   2.635  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27       8.602   0.936   1.406  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.917   0.535  -0.507  1.00  0.52           H  
HETATM  466  H   B3T A  27       8.068   0.421  -1.252  1.00  0.39           H  
HETATM  467  HB1 B3T A  27      10.118  -0.741  -2.722  1.00  0.63           H  
HETATM  468  HB2 B3T A  27       9.807  -2.015  -1.550  1.00  0.70           H  
ATOM    469  N   GLY A  28      12.200  -2.478  -2.591  1.00  1.30           N  
ATOM    470  CA  GLY A  28      13.578  -2.916  -2.676  1.00  1.53           C  
ATOM    471  C   GLY A  28      13.938  -3.892  -1.576  1.00  1.68           C  
ATOM    472  O   GLY A  28      13.857  -5.103  -1.766  1.00  2.18           O  
ATOM    473  H   GLY A  28      11.515  -2.909  -3.147  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      13.733  -3.394  -3.632  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      14.225  -2.055  -2.608  1.00  1.58           H  
ATOM    476  N   GLU A  29      14.309  -3.370  -0.415  1.00  1.96           N  
ATOM    477  CA  GLU A  29      14.735  -4.217   0.691  1.00  2.41           C  
ATOM    478  C   GLU A  29      13.526  -4.822   1.401  1.00  2.39           C  
ATOM    479  O   GLU A  29      13.527  -5.999   1.757  1.00  3.19           O  
ATOM    480  CB  GLU A  29      15.587  -3.419   1.682  1.00  3.15           C  
ATOM    481  CG  GLU A  29      16.285  -4.286   2.716  1.00  3.91           C  
ATOM    482  CD  GLU A  29      17.190  -5.323   2.082  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      16.759  -6.485   1.938  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      18.340  -4.981   1.729  1.00  4.51           O1-
ATOM    485  H   GLU A  29      14.291  -2.396  -0.301  1.00  2.25           H  
ATOM    486  HA  GLU A  29      15.331  -5.018   0.281  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      16.340  -2.871   1.137  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      14.950  -2.720   2.202  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      16.880  -3.652   3.355  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      15.537  -4.794   3.305  1.00  4.26           H  
ATOM    491  N   LYS A  30      12.497  -4.012   1.607  1.00  1.95           N  
ATOM    492  CA  LYS A  30      11.275  -4.484   2.241  1.00  2.32           C  
ATOM    493  C   LYS A  30      10.268  -4.921   1.186  1.00  2.89           C  
ATOM    494  O   LYS A  30       9.496  -4.113   0.667  1.00  3.15           O  
ATOM    495  CB  LYS A  30      10.666  -3.394   3.125  1.00  2.23           C  
ATOM    496  CG  LYS A  30      11.555  -2.969   4.282  1.00  2.98           C  
ATOM    497  CD  LYS A  30      10.968  -1.769   5.003  1.00  3.35           C  
ATOM    498  CE  LYS A  30      11.845  -1.321   6.158  1.00  3.96           C  
ATOM    499  NZ  LYS A  30      11.356  -0.052   6.759  1.00  4.54           N1+
ATOM    500  H   LYS A  30      12.560  -3.075   1.323  1.00  1.83           H  
ATOM    501  HA  LYS A  30      11.527  -5.337   2.854  1.00  2.86           H  
ATOM    502  HB2 LYS A  30      10.465  -2.527   2.520  1.00  2.41           H  
ATOM    503  HB3 LYS A  30       9.735  -3.759   3.532  1.00  2.30           H  
ATOM    504  HG2 LYS A  30      11.643  -3.789   4.978  1.00  3.30           H  
ATOM    505  HG3 LYS A  30      12.530  -2.709   3.898  1.00  3.48           H  
ATOM    506  HD2 LYS A  30      10.869  -0.953   4.303  1.00  3.50           H  
ATOM    507  HD3 LYS A  30       9.994  -2.036   5.388  1.00  3.54           H  
ATOM    508  HE2 LYS A  30      11.844  -2.091   6.914  1.00  4.07           H  
ATOM    509  HE3 LYS A  30      12.851  -1.174   5.795  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30      11.461   0.728   6.079  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30      11.900   0.172   7.616  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30      10.352  -0.140   7.015  1.00  4.84           H  
HETATM  513  N   NH2 A  31      10.288  -6.200   0.860  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31      10.932  -6.783   1.315  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31       9.660  -6.514   0.178  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.777   4.686  -1.548  1.00  0.26          ZN  
ENDMDL                                                                          
MODEL        5                                                                  
ATOM      1  N   PRO A   1     -11.613  -0.064   4.398  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.593  -0.135   3.331  1.00  0.45           C  
ATOM      3  C   PRO A   1      -9.220   0.217   3.887  1.00  0.37           C  
ATOM      4  O   PRO A   1      -9.112   0.797   4.968  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -10.972   0.829   2.217  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -12.304   1.349   2.632  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -12.394   1.157   4.130  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -11.081  -0.097   5.285  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -12.094  -0.994   4.371  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -10.568  -1.143   2.942  1.00  1.10           H  
ATOM     11  HB2 PRO A   1     -10.239   1.620   2.153  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -11.028   0.300   1.275  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -12.378   2.396   2.384  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -13.086   0.792   2.138  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -11.962   2.005   4.642  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -13.423   1.024   4.429  1.00  1.32           H  
ATOM     17  N   PHE A   2      -8.180  -0.123   3.144  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -6.813   0.117   3.579  1.00  0.26           C  
ATOM     19  C   PHE A   2      -6.210   1.264   2.778  1.00  0.26           C  
ATOM     20  O   PHE A   2      -6.374   1.321   1.564  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -5.967  -1.147   3.391  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.557  -2.371   4.030  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -7.299  -3.272   3.282  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.372  -2.620   5.378  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -7.843  -4.397   3.870  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -6.914  -3.745   5.970  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -7.651  -4.635   5.215  1.00  0.35           C  
ATOM     28  H   PHE A   2      -8.333  -0.533   2.265  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -6.834   0.381   4.625  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -5.860  -1.343   2.335  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -4.991  -0.983   3.823  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -7.450  -3.092   2.229  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -5.797  -1.924   5.971  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -8.420  -5.091   3.275  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -6.761  -3.928   7.024  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -8.076  -5.514   5.675  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.513   2.201   3.430  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -5.171   8.367   2.912  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -5.720   7.074   3.471  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -5.058   5.886   2.793  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -5.512   4.569   3.399  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -4.925   3.337   2.703  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -5.335   2.089   4.894  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.398   3.356   2.752  1.00  0.39           C  
HETATM   45  O   9KK A   3      -2.782   2.964   3.744  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -4.107   8.416   3.093  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -5.356   8.408   1.849  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -5.657   9.202   3.394  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -5.521   7.040   4.532  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -6.784   7.042   3.292  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -5.312   5.895   1.743  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -3.989   5.972   2.906  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -5.217   4.556   4.436  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -6.589   4.520   3.339  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -5.237   3.333   1.668  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -6.259   2.338   5.390  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -5.053   1.077   5.144  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -4.559   2.768   5.214  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.795   3.812   1.662  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.348   3.928   1.575  1.00  0.30           C  
ATOM     61  C   CYS A   4      -0.795   4.885   2.638  1.00  0.67           C  
ATOM     62  O   CYS A   4       0.284   4.662   3.182  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.932   4.388   0.176  1.00  0.29           C  
ATOM     64  SG  CYS A   4       0.739   5.055   0.114  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.342   4.067   0.885  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -0.932   2.947   1.752  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -0.980   3.547  -0.503  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.610   5.158  -0.162  1.00  0.45           H  
ATOM     69  N   THR A   5      -1.559   5.947   2.915  1.00  0.40           N  
ATOM     70  CA  THR A   5      -1.253   6.940   3.960  1.00  0.47           C  
ATOM     71  C   THR A   5       0.097   7.629   3.756  1.00  0.41           C  
ATOM     72  O   THR A   5       0.645   8.222   4.687  1.00  0.54           O  
ATOM     73  CB  THR A   5      -1.325   6.351   5.399  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -0.420   5.248   5.561  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -2.738   5.894   5.722  1.00  1.47           C  
ATOM     76  H   THR A   5      -2.372   6.077   2.389  1.00  1.12           H  
ATOM     77  HA  THR A   5      -2.017   7.702   3.889  1.00  0.62           H  
ATOM     78  HB  THR A   5      -1.051   7.128   6.100  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -0.127   4.947   4.689  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -3.414   6.733   5.643  1.00  1.77           H  
ATOM     81 HG22 THR A   5      -2.769   5.500   6.726  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -3.034   5.126   5.024  1.00  1.94           H  
ATOM     83  N   TRP A   6       0.620   7.572   2.538  1.00  0.37           N  
ATOM     84  CA  TRP A   6       1.874   8.233   2.223  1.00  0.47           C  
ATOM     85  C   TRP A   6       1.598   9.655   1.753  1.00  0.61           C  
ATOM     86  O   TRP A   6       0.774   9.870   0.859  1.00  0.63           O  
ATOM     87  CB  TRP A   6       2.624   7.457   1.142  1.00  0.47           C  
ATOM     88  CG  TRP A   6       4.085   7.771   1.071  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       4.661   8.893   0.553  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       5.158   6.938   1.522  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       6.027   8.818   0.669  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       6.358   7.623   1.255  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       5.221   5.681   2.127  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       7.604   7.092   1.575  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       6.457   5.155   2.443  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       7.635   5.859   2.166  1.00  0.94           C  
ATOM     97  H   TRP A   6       0.157   7.069   1.838  1.00  0.38           H  
ATOM     98  HA  TRP A   6       2.474   8.266   3.120  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       2.522   6.403   1.335  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       2.187   7.685   0.184  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       4.107   9.718   0.128  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       6.665   9.508   0.372  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       4.325   5.123   2.346  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       8.523   7.623   1.368  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       6.526   4.185   2.910  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       8.578   5.407   2.431  1.00  1.05           H  
HETATM  107  N   AIB A   7       2.278  10.609   2.375  1.00  0.79           N  
HETATM  108  CA  AIB A   7       2.107  12.035   2.076  1.00  0.99           C  
HETATM  109  C   AIB A   7       2.289  12.289   0.570  1.00  0.94           C  
HETATM  110  O   AIB A   7       3.383  12.119   0.034  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       3.141  12.832   2.846  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       0.737  12.502   2.541  1.00  1.13           C  
HETATM  113  H   AIB A   7       2.922  10.348   3.067  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       3.021  12.649   3.904  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       3.009  13.883   2.645  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       4.131  12.527   2.539  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       0.652  12.365   3.608  1.00  1.35           H  
HETATM  118 HB22 AIB A   7      -0.027  11.924   2.043  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       0.611  13.547   2.300  1.00  1.63           H  
ATOM    120  N   GLY A   8       1.210  12.676  -0.104  1.00  0.95           N  
ATOM    121  CA  GLY A   8       1.296  13.028  -1.507  1.00  0.93           C  
ATOM    122  C   GLY A   8       0.838  11.919  -2.429  1.00  0.76           C  
ATOM    123  O   GLY A   8       0.606  12.149  -3.614  1.00  0.83           O  
ATOM    124  H   GLY A   8       0.347  12.721   0.354  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       0.683  13.900  -1.684  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       2.325  13.271  -1.739  1.00  0.99           H  
ATOM    127  N   CYS A   9       0.699  10.718  -1.892  1.00  0.61           N  
ATOM    128  CA  CYS A   9       0.319   9.570  -2.699  1.00  0.55           C  
ATOM    129  C   CYS A   9      -1.202   9.480  -2.827  1.00  0.92           C  
ATOM    130  O   CYS A   9      -1.738   9.530  -3.935  1.00  1.94           O  
ATOM    131  CB  CYS A   9       0.886   8.296  -2.080  1.00  0.42           C  
ATOM    132  SG  CYS A   9       0.826   6.855  -3.165  1.00  0.36           S  
ATOM    133  H   CYS A   9       0.860  10.598  -0.930  1.00  0.60           H  
ATOM    134  HA  CYS A   9       0.742   9.703  -3.682  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       1.920   8.466  -1.816  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       0.327   8.060  -1.186  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.888   9.341  -1.696  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -3.343   9.339  -1.696  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.936   8.207  -2.509  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.585   8.438  -3.529  1.00  0.90           O  
ATOM    141  H   GLY A  10      -1.402   9.232  -0.853  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -3.692   9.256  -0.678  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -3.689  10.276  -2.104  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.707   6.980  -2.066  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -4.221   5.808  -2.760  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.817   4.814  -1.766  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.213   4.541  -0.725  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -3.101   5.133  -3.565  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -2.524   6.009  -4.668  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -3.501   6.175  -5.825  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -3.047   7.253  -6.802  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -3.113   8.613  -6.199  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -3.183   6.857  -1.252  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.994   6.137  -3.435  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -2.300   4.868  -2.889  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.492   4.231  -4.015  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -2.300   6.982  -4.258  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -1.617   5.554  -5.037  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -3.575   5.236  -6.353  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -4.468   6.444  -5.433  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -2.028   7.049  -7.098  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -3.685   7.223  -7.672  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -2.828   9.329  -6.897  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -2.478   8.678  -5.377  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -4.086   8.820  -5.888  1.00  1.93           H  
HETATM  166  N   MMO A  12      -6.016   4.274  -2.060  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.626   3.255  -1.184  1.00  0.17           C  
HETATM  168  C   MMO A  12      -6.862   1.913  -1.881  1.00  0.14           C  
HETATM  169  O   MMO A  12      -6.971   1.824  -3.109  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -7.955   3.864  -0.719  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -7.791   5.075   0.189  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -9.117   5.497   0.802  1.00  0.55           C  
HETATM  173  NE  MMO A  12      -8.979   6.685   1.643  1.00  1.09           N  
HETATM  174  CZ  MMO A  12      -9.681   6.898   2.758  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -10.565   6.000   3.179  1.00  1.59           N  
HETATM  176  NH1 MMO A  12      -9.490   8.008   3.457  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.733   4.713  -3.279  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -6.001   3.080  -0.322  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.507   3.110  -0.177  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.526   4.163  -1.585  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -7.392   5.896  -0.389  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -7.105   4.824   0.983  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12      -9.494   4.683   1.403  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.815   5.708   0.008  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -10.713   5.153   2.662  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -11.086   6.159   4.023  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -10.016   8.173   4.297  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -7.040   5.741  -3.170  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -7.603   4.090  -3.426  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -6.079   4.621  -4.134  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -8.331   7.366   1.357  1.00  1.66           H  
HETATM  192 HH12 MMO A  12      -8.820   8.689   3.150  1.00  3.06           H  
ATOM    193  N   PHE A  13      -6.929   0.868  -1.075  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -7.047  -0.498  -1.559  1.00  0.12           C  
ATOM    195  C   PHE A  13      -8.039  -1.265  -0.695  1.00  0.16           C  
ATOM    196  O   PHE A  13      -8.268  -0.912   0.460  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.676  -1.184  -1.514  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.643  -0.508  -2.365  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.384  -0.959  -3.644  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.942   0.588  -1.886  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.445  -0.331  -4.435  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -3.002   1.220  -2.669  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.752   0.760  -3.946  1.00  0.36           C  
ATOM    204  H   PHE A  13      -6.902   1.020  -0.106  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.403  -0.471  -2.578  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.314  -1.182  -0.496  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.775  -2.203  -1.855  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -4.926  -1.810  -4.026  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -4.141   0.948  -0.889  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.249  -0.692  -5.432  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.460   2.073  -2.283  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -2.017   1.256  -4.564  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.631  -2.306  -1.250  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.590  -3.108  -0.507  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.928  -4.372   0.030  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.528  -5.122   0.804  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.819  -3.468  -1.373  1.00  0.46           C  
ATOM    218  OG1 THR A  14     -11.725  -4.308  -0.643  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -10.395  -4.163  -2.657  1.00  0.93           C  
ATOM    220  H   THR A  14      -8.418  -2.547  -2.180  1.00  0.30           H  
ATOM    221  HA  THR A  14      -9.931  -2.518   0.333  1.00  0.34           H  
ATOM    222  HB  THR A  14     -11.331  -2.553  -1.635  1.00  1.25           H  
ATOM    223  HG1 THR A  14     -11.236  -4.785   0.044  1.00  1.99           H  
ATOM    224 HG21 THR A  14      -9.752  -3.508  -3.224  1.00  1.54           H  
ATOM    225 HG22 THR A  14     -11.269  -4.404  -3.242  1.00  1.62           H  
ATOM    226 HG23 THR A  14      -9.862  -5.070  -2.416  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.684  -4.597  -0.377  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.907  -5.731   0.105  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.608  -5.259   0.739  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.833  -4.527   0.121  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.599  -6.705  -1.031  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -7.795  -7.523  -1.477  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -7.410  -8.538  -2.540  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -8.526  -9.413  -2.893  1.00  1.27           N  
ATOM    235  CZ  ARG A  15      -8.425 -10.441  -3.734  1.00  1.98           C  
ATOM    236  NH1 ARG A  15      -7.264 -10.710  -4.321  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15      -9.485 -11.199  -3.991  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.276  -3.981  -1.020  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.496  -6.235   0.853  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -6.239  -6.144  -1.879  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -5.823  -7.385  -0.706  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.198  -8.046  -0.621  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -8.542  -6.857  -1.879  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -7.084  -8.011  -3.423  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -6.598  -9.142  -2.163  1.00  1.50           H  
ATOM    246  HE  ARG A  15      -9.397  -9.222  -2.474  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -6.461 -10.138  -4.131  1.00  2.52           H  
ATOM    248 HH12 ARG A  15      -7.183 -11.479  -4.960  1.00  3.13           H  
ATOM    249 HH21 ARG A  15     -10.365 -10.998  -3.554  1.00  2.68           H  
ATOM    250 HH22 ARG A  15      -9.407 -11.980  -4.617  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.380  -5.694   1.973  1.00  0.15           N  
ATOM    252  CA  SER A  16      -4.195  -5.305   2.722  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.948  -5.905   2.095  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.890  -5.278   2.062  1.00  0.17           O  
ATOM    255  CB  SER A  16      -4.326  -5.757   4.178  1.00  0.24           C  
ATOM    256  OG  SER A  16      -4.565  -7.153   4.258  1.00  1.27           O  
ATOM    257  H   SER A  16      -6.029  -6.303   2.392  1.00  0.17           H  
ATOM    258  HA  SER A  16      -4.118  -4.229   2.688  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -3.414  -5.529   4.709  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -5.152  -5.236   4.641  1.00  1.05           H  
ATOM    261  HG  SER A  16      -3.721  -7.628   4.222  1.00  1.61           H  
HETATM  262  OE1 B3D A  17      -2.258  -8.878   3.938  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -1.373  -9.094   3.077  1.00  1.42           C  
HETATM  264  OE2 B3D A  17      -0.171  -9.251   3.374  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.779  -9.176   1.614  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -1.982  -7.793   0.962  1.00  0.19           C  
HETATM  267  N   B3D A  17      -3.080  -7.123   1.595  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.280  -8.041  -0.517  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.823  -6.929  -1.419  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.626  -6.713  -1.618  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -2.701  -9.731   1.550  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -1.010  -9.708   1.076  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -1.106  -7.126   1.073  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.950  -7.576   1.657  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.787  -8.949  -0.823  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.346  -8.158  -0.643  1.00  0.15           H  
ATOM    277  N   GLU A  18      -2.796  -6.192  -1.945  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.538  -5.130  -2.903  1.00  0.21           C  
ATOM    279  C   GLU A  18      -1.925  -3.908  -2.235  1.00  0.15           C  
ATOM    280  O   GLU A  18      -1.089  -3.233  -2.825  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -3.833  -4.742  -3.618  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -4.459  -5.887  -4.398  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -3.493  -6.520  -5.377  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -2.979  -7.624  -5.088  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -3.245  -5.924  -6.444  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.720  -6.370  -1.677  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -1.841  -5.508  -3.633  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.548  -4.403  -2.881  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -3.625  -3.935  -4.304  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -4.787  -6.642  -3.701  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -5.308  -5.510  -4.945  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.343  -3.621  -1.010  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.797  -2.492  -0.270  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.311  -2.720   0.000  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.517  -1.850  -0.265  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.587  -2.293   1.034  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -2.221  -1.069   1.897  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -1.026  -1.358   2.793  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -1.945   0.151   1.031  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.041  -4.175  -0.594  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -1.907  -1.614  -0.887  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.632  -2.217   0.778  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.455  -3.178   1.639  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -3.058  -0.836   2.536  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -0.181  -1.645   2.184  1.00  1.31           H  
ATOM    306 HD12 LEU A  19      -1.270  -2.162   3.473  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -0.778  -0.472   3.358  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -1.083  -0.037   0.408  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -1.753   1.004   1.662  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -2.801   0.351   0.408  1.00  1.36           H  
ATOM    311  N   GLN A  20       0.018  -3.900   0.510  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.402  -4.245   0.809  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.227  -4.344  -0.472  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.225  -3.642  -0.634  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.473  -5.558   1.587  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.880  -5.926   2.026  1.00  0.37           C  
ATOM    317  CD  GLN A  20       2.920  -7.210   2.828  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       3.060  -8.300   2.269  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       2.807  -7.093   4.142  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.692  -4.551   0.703  1.00  0.16           H  
ATOM    321  HA  GLN A  20       1.810  -3.455   1.418  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       0.854  -5.476   2.467  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.094  -6.354   0.965  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       3.497  -6.047   1.148  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.273  -5.125   2.633  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       2.708  -6.192   4.522  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       2.826  -7.910   4.683  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.810  -5.212  -1.387  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.517  -5.370  -2.631  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.691  -6.863  -2.938  1.00  0.29           C  
HETATM  331  CG  HMR A  21       3.481  -7.623  -1.886  1.00  0.51           C  
HETATM  332  CD  HMR A  21       3.620  -9.093  -2.250  1.00  0.94           C  
HETATM  333  NE  HMR A  21       4.419  -9.827  -1.268  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       4.573 -11.152  -1.272  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       3.980 -11.894  -2.201  1.00  1.94           N  
HETATM  336  NH2 HMR A  21       5.328 -11.731  -0.349  1.00  3.01           N  
HETATM  337  C   HMR A  21       2.100  -3.357  -4.111  1.00  0.17           C  
HETATM  338  O   HMR A  21       2.953  -3.082  -4.959  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.726  -4.780  -3.796  1.00  0.16           C  
HETATM  340  H   HMR A  21       0.999  -5.746  -1.218  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.481  -4.838  -2.513  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       3.202  -6.966  -3.884  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.716  -7.315  -3.015  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       2.967  -7.543  -0.939  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       4.465  -7.186  -1.802  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       4.097  -9.170  -3.216  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       2.636  -9.535  -2.299  1.00  1.23           H  
HETATM  348  HE  HMR A  21       4.865  -9.299  -0.567  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       3.414 -11.462  -2.910  1.00  1.68           H  
HETATM  350 HH21 HMR A  21       5.447 -12.726  -0.346  1.00  3.31           H  
HETATM  351 HH22 HMR A  21       5.786 -11.177   0.351  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.901  -5.380  -4.675  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.672  -4.806  -3.553  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       4.097 -12.890  -2.202  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.445  -2.444  -3.418  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.655  -1.026  -3.613  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.856  -0.525  -2.816  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.771   0.061  -3.392  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.392  -0.258  -3.224  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.545   1.224  -3.313  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.288   1.971  -4.457  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       0.974   2.102  -2.376  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       0.578   3.254  -4.180  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       0.991   3.352  -2.942  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.776  -2.738  -2.758  1.00  0.18           H  
ATOM    366  HA  HIS A  22       1.847  -0.866  -4.661  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.413  -0.549  -3.879  1.00  0.25           H  
ATOM    368  HB3 HIS A  22       0.128  -0.505  -2.207  1.00  0.25           H  
ATOM    369  HD1 HIS A  22      -0.035   1.621  -5.317  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.240   1.871  -1.357  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       0.475   4.078  -4.868  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.849  -0.752  -1.500  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.921  -0.265  -0.629  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.282  -0.667  -1.171  1.00  0.17           C  
ATOM    375  O   LYS A  23       6.186   0.165  -1.298  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.762  -0.790   0.799  1.00  0.27           C  
ATOM    377  CG  LYS A  23       2.577  -0.205   1.550  1.00  0.73           C  
ATOM    378  CD  LYS A  23       2.689   1.306   1.682  1.00  0.61           C  
ATOM    379  CE  LYS A  23       1.677   1.857   2.676  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       1.935   1.376   4.059  1.00  1.01           N1+
ATOM    381  H   LYS A  23       2.105  -1.264  -1.107  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.864   0.813  -0.613  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       3.641  -1.863   0.764  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       4.658  -0.558   1.353  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       1.670  -0.443   1.014  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       2.537  -0.643   2.537  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       3.685   1.557   2.019  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       2.510   1.754   0.714  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       1.729   2.937   2.665  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       0.687   1.544   2.375  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       1.284   1.839   4.725  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       2.910   1.596   4.339  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       1.793   0.348   4.115  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.425  -1.940  -1.500  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.657  -2.427  -2.049  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.933  -3.826  -1.476  1.00  0.30           C  
HETATM  397  CG  HMR A  24       8.241  -4.453  -1.936  1.00  0.34           C  
HETATM  398  CD  HMR A  24       8.502  -5.763  -1.213  1.00  0.50           C  
HETATM  399  NE  HMR A  24       9.708  -6.431  -1.697  1.00  0.95           N  
HETATM  400  CZ  HMR A  24      10.361  -7.374  -1.015  1.00  1.35           C  
HETATM  401  NH1 HMR A  24      11.439  -7.944  -1.537  1.00  1.85           N  
HETATM  402  NH2 HMR A  24       9.927  -7.754   0.182  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.178  -1.391  -4.309  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.313  -1.470  -4.781  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.550  -2.547  -3.570  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.671  -2.561  -1.366  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.434  -1.691  -1.777  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       6.126  -4.484  -1.765  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       6.958  -3.757  -0.400  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       9.050  -3.769  -1.729  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       8.188  -4.644  -2.995  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.654  -6.416  -1.363  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       8.615  -5.559  -0.159  1.00  0.77           H  
HETATM  414  HE  HMR A  24      10.055  -6.153  -2.578  1.00  1.18           H  
HETATM  415  HH1 HMR A  24      11.765  -7.667  -2.445  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       9.107  -7.336   0.578  1.00  1.35           H  
HETATM  417 HH22 HMR A  24      10.417  -8.464   0.697  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       7.038  -3.452  -3.883  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.507  -2.596  -3.845  1.00  0.23           H  
HETATM  420  HH2 HMR A  24      11.934  -8.654  -1.026  1.00  2.15           H  
ATOM    421  N   THR A  25       6.430  -0.297  -4.401  1.00  0.16           N  
ATOM    422  CA  THR A  25       6.862   0.869  -5.155  1.00  0.23           C  
ATOM    423  C   THR A  25       7.647   1.850  -4.282  1.00  0.22           C  
ATOM    424  O   THR A  25       8.706   2.335  -4.685  1.00  0.34           O  
ATOM    425  CB  THR A  25       5.660   1.599  -5.792  1.00  0.34           C  
ATOM    426  OG1 THR A  25       4.761   2.059  -4.775  1.00  1.33           O  
ATOM    427  CG2 THR A  25       4.912   0.679  -6.745  1.00  1.09           C  
ATOM    428  H   THR A  25       5.560  -0.276  -3.945  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.503   0.525  -5.950  1.00  0.30           H  
ATOM    430  HB  THR A  25       6.028   2.447  -6.347  1.00  0.94           H  
ATOM    431  HG1 THR A  25       4.205   1.325  -4.477  1.00  1.98           H  
ATOM    432 HG21 THR A  25       5.584   0.338  -7.517  1.00  1.66           H  
ATOM    433 HG22 THR A  25       4.090   1.218  -7.193  1.00  1.47           H  
ATOM    434 HG23 THR A  25       4.530  -0.171  -6.198  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.134   2.134  -3.084  1.00  0.20           N  
ATOM    436  CA  HIS A  26       7.785   3.085  -2.185  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.011   2.447  -1.558  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.031   3.100  -1.338  1.00  0.38           O  
ATOM    439  CB  HIS A  26       6.847   3.545  -1.063  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.633   4.309  -1.502  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.647   5.634  -1.937  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.331   3.933  -1.489  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.369   6.009  -2.154  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.570   5.008  -1.893  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.312   1.679  -2.791  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.090   3.939  -2.769  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.502   2.677  -0.523  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.404   4.177  -0.385  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.446   6.198  -2.058  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       3.947   2.962  -1.217  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.053   6.988  -2.483  1.00  0.37           H  
HETATM  452  CG  B3T A  27       9.528  -0.264   0.643  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       8.363  -1.063   0.403  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       9.220   0.772   1.711  1.00  0.76           C  
HETATM  455  CA  B3T A  27       9.982   0.411  -0.662  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.894   1.162  -1.269  1.00  0.36           N  
HETATM  457  CB  B3T A  27      10.529  -0.622  -1.648  1.00  0.62           C  
HETATM  458  C   B3T A  27      12.037  -0.753  -1.571  1.00  0.82           C  
HETATM  459  O   B3T A  27      12.674  -0.171  -0.693  1.00  1.03           O  
HETATM  460  HG  B3T A  27      10.325  -0.901   0.999  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       7.711  -0.544  -0.084  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27       8.447   1.438   1.354  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27      10.112   1.340   1.929  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27       8.881   0.276   2.608  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.766   1.106  -0.415  1.00  0.52           H  
HETATM  466  H   B3T A  27       8.048   0.705  -1.471  1.00  0.39           H  
HETATM  467  HB1 B3T A  27      10.263  -0.326  -2.652  1.00  0.63           H  
HETATM  468  HB2 B3T A  27      10.090  -1.582  -1.430  1.00  0.70           H  
ATOM    469  N   GLY A  28      12.612  -1.517  -2.493  1.00  1.30           N  
ATOM    470  CA  GLY A  28      14.046  -1.735  -2.488  1.00  1.53           C  
ATOM    471  C   GLY A  28      14.457  -2.730  -1.427  1.00  1.68           C  
ATOM    472  O   GLY A  28      15.576  -2.677  -0.913  1.00  2.18           O  
ATOM    473  H   GLY A  28      12.058  -1.939  -3.184  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      14.349  -2.106  -3.454  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      14.543  -0.796  -2.300  1.00  1.58           H  
ATOM    476  N   GLU A  29      13.536  -3.639  -1.106  1.00  1.96           N  
ATOM    477  CA  GLU A  29      13.751  -4.654  -0.078  1.00  2.41           C  
ATOM    478  C   GLU A  29      14.148  -4.012   1.248  1.00  2.39           C  
ATOM    479  O   GLU A  29      15.214  -4.297   1.799  1.00  3.19           O  
ATOM    480  CB  GLU A  29      14.822  -5.650  -0.515  1.00  3.15           C  
ATOM    481  CG  GLU A  29      14.492  -6.392  -1.795  1.00  3.91           C  
ATOM    482  CD  GLU A  29      15.582  -7.364  -2.180  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      15.398  -8.582  -1.977  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      16.638  -6.914  -2.669  1.00  4.51           O1-
ATOM    485  H   GLU A  29      12.682  -3.628  -1.586  1.00  2.25           H  
ATOM    486  HA  GLU A  29      12.818  -5.181   0.061  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      15.747  -5.118  -0.666  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      14.962  -6.378   0.270  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      13.573  -6.938  -1.655  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      14.368  -5.674  -2.594  1.00  4.26           H  
ATOM    491  N   LYS A  30      13.296  -3.135   1.751  1.00  1.95           N  
ATOM    492  CA  LYS A  30      13.551  -2.484   3.024  1.00  2.32           C  
ATOM    493  C   LYS A  30      12.490  -2.890   4.036  1.00  2.89           C  
ATOM    494  O   LYS A  30      11.692  -2.072   4.494  1.00  3.15           O  
ATOM    495  CB  LYS A  30      13.578  -0.959   2.865  1.00  2.23           C  
ATOM    496  CG  LYS A  30      14.633  -0.465   1.886  1.00  2.98           C  
ATOM    497  CD  LYS A  30      14.817   1.043   1.971  1.00  3.35           C  
ATOM    498  CE  LYS A  30      13.523   1.791   1.687  1.00  3.96           C  
ATOM    499  NZ  LYS A  30      13.682   3.256   1.871  1.00  4.54           N1+
ATOM    500  H   LYS A  30      12.471  -2.930   1.261  1.00  1.83           H  
ATOM    501  HA  LYS A  30      14.515  -2.818   3.380  1.00  2.86           H  
ATOM    502  HB2 LYS A  30      12.611  -0.629   2.517  1.00  2.41           H  
ATOM    503  HB3 LYS A  30      13.775  -0.512   3.827  1.00  2.30           H  
ATOM    504  HG2 LYS A  30      15.573  -0.944   2.112  1.00  3.30           H  
ATOM    505  HG3 LYS A  30      14.328  -0.725   0.883  1.00  3.48           H  
ATOM    506  HD2 LYS A  30      15.155   1.298   2.965  1.00  3.50           H  
ATOM    507  HD3 LYS A  30      15.562   1.345   1.247  1.00  3.54           H  
ATOM    508  HE2 LYS A  30      13.223   1.593   0.669  1.00  4.07           H  
ATOM    509  HE3 LYS A  30      12.760   1.433   2.363  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30      13.986   3.462   2.844  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30      12.779   3.739   1.696  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30      14.394   3.624   1.211  1.00  4.84           H  
HETATM  513  N   NH2 A  31      12.494  -4.161   4.390  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31      13.162  -4.753   3.981  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31      11.829  -4.465   5.045  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.576   5.015  -2.020  1.00  0.26          ZN  
ENDMDL                                                                          
MODEL        6                                                                  
ATOM      1  N   PRO A   1     -11.026   0.821   2.228  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.684   0.200   3.528  1.00  0.45           C  
ATOM      3  C   PRO A   1      -9.275   0.583   3.961  1.00  0.37           C  
ATOM      4  O   PRO A   1      -9.090   1.270   4.963  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -10.808  -1.308   3.398  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -11.654  -1.466   2.191  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -11.330  -0.289   1.299  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -10.220   1.426   1.994  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -11.781   1.510   2.456  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -11.384   0.553   4.269  1.00  1.10           H  
ATOM     11  HB2 PRO A   1      -9.827  -1.747   3.267  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -11.287  -1.718   4.273  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -11.417  -2.394   1.692  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -12.694  -1.446   2.471  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -10.473  -0.511   0.681  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -12.182  -0.044   0.682  1.00  1.32           H  
ATOM     17  N   PHE A   2      -8.284   0.155   3.193  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -6.893   0.434   3.521  1.00  0.26           C  
ATOM     19  C   PHE A   2      -6.396   1.624   2.710  1.00  0.26           C  
ATOM     20  O   PHE A   2      -6.657   1.702   1.516  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -6.016  -0.788   3.226  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.485  -2.046   3.900  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -7.239  -2.976   3.206  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.167  -2.299   5.225  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -7.669  -4.136   3.822  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -6.594  -3.456   5.846  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -7.359  -4.369   5.149  1.00  0.35           C  
ATOM     28  H   PHE A   2      -8.489  -0.353   2.375  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -6.837   0.668   4.573  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -6.005  -0.965   2.161  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -5.010  -0.586   3.562  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -7.491  -2.790   2.174  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -5.583  -1.579   5.778  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -8.257  -4.853   3.271  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -6.339  -3.642   6.878  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -7.696  -5.272   5.635  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.698   2.579   3.333  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -5.870   8.636   2.094  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -6.285   7.400   2.856  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -5.509   6.201   2.349  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -5.897   4.927   3.078  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -5.138   3.701   2.571  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -5.508   2.517   4.796  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.636   3.890   2.772  1.00  0.39           C  
HETATM   45  O   9KK A   3      -3.127   3.917   3.894  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -6.060   8.490   1.040  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -6.438   9.485   2.446  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -4.818   8.818   2.248  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -6.075   7.548   3.906  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -7.342   7.234   2.707  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -5.708   6.072   1.295  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -4.454   6.378   2.497  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -5.687   5.060   4.130  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -6.956   4.764   2.946  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -5.331   3.581   1.514  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -5.109   1.551   5.067  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -4.816   3.287   5.100  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -6.457   2.669   5.288  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.928   4.028   1.670  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.512   4.310   1.717  1.00  0.30           C  
ATOM     61  C   CYS A   4      -1.287   5.813   1.821  1.00  0.67           C  
ATOM     62  O   CYS A   4      -1.244   6.512   0.809  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.813   3.762   0.476  1.00  0.29           C  
ATOM     64  SG  CYS A   4       0.970   4.022   0.488  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.374   3.942   0.798  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -1.105   3.830   2.594  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -0.994   2.699   0.405  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.212   4.251  -0.401  1.00  0.45           H  
ATOM     69  N   THR A   5      -1.158   6.309   3.041  1.00  0.40           N  
ATOM     70  CA  THR A   5      -0.960   7.731   3.269  1.00  0.47           C  
ATOM     71  C   THR A   5       0.536   8.055   3.351  1.00  0.41           C  
ATOM     72  O   THR A   5       0.985   8.814   4.213  1.00  0.54           O  
ATOM     73  CB  THR A   5      -1.673   8.175   4.561  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -2.936   7.502   4.663  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -1.911   9.680   4.569  1.00  1.47           C  
ATOM     76  H   THR A   5      -1.197   5.704   3.813  1.00  1.12           H  
ATOM     77  HA  THR A   5      -1.392   8.268   2.435  1.00  0.62           H  
ATOM     78  HB  THR A   5      -1.057   7.912   5.409  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -3.468   7.705   3.888  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -2.541   9.949   3.735  1.00  1.77           H  
ATOM     81 HG22 THR A   5      -0.964  10.192   4.486  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -2.393   9.962   5.491  1.00  1.94           H  
ATOM     83  N   TRP A   6       1.299   7.456   2.445  1.00  0.37           N  
ATOM     84  CA  TRP A   6       2.733   7.683   2.365  1.00  0.47           C  
ATOM     85  C   TRP A   6       3.005   9.111   1.910  1.00  0.61           C  
ATOM     86  O   TRP A   6       2.129   9.756   1.335  1.00  0.63           O  
ATOM     87  CB  TRP A   6       3.360   6.674   1.392  1.00  0.47           C  
ATOM     88  CG  TRP A   6       4.856   6.584   1.463  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       5.759   7.381   0.819  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       5.622   5.626   2.199  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       7.039   6.990   1.128  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       6.981   5.911   1.970  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       5.291   4.556   3.035  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       8.006   5.167   2.546  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       6.308   3.817   3.604  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       7.650   4.126   3.359  1.00  0.94           C  
ATOM     97  H   TRP A   6       0.884   6.840   1.809  1.00  0.38           H  
ATOM     98  HA  TRP A   6       3.154   7.541   3.346  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       2.964   5.695   1.598  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       3.095   6.953   0.384  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       5.488   8.204   0.174  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       7.862   7.413   0.795  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       4.263   4.303   3.235  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       9.047   5.391   2.368  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       6.072   2.987   4.252  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       8.411   3.520   3.826  1.00  1.05           H  
HETATM  107  N   AIB A   7       4.205   9.599   2.195  1.00  0.79           N  
HETATM  108  CA  AIB A   7       4.639  10.935   1.778  1.00  0.99           C  
HETATM  109  C   AIB A   7       4.419  11.108   0.264  1.00  0.94           C  
HETATM  110  O   AIB A   7       5.067  10.439  -0.550  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       6.112  11.100   2.093  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       3.887  11.995   2.562  1.00  1.13           C  
HETATM  113  H   AIB A   7       4.823   9.041   2.713  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       6.267  10.995   3.156  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       6.438  12.080   1.776  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       6.679  10.345   1.569  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       2.825  11.882   2.397  1.00  1.35           H  
HETATM  118 HB22 AIB A   7       4.198  12.976   2.234  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       4.101  11.884   3.615  1.00  1.63           H  
ATOM    120  N   GLY A   8       3.492  11.986  -0.108  1.00  0.95           N  
ATOM    121  CA  GLY A   8       3.240  12.258  -1.510  1.00  0.93           C  
ATOM    122  C   GLY A   8       2.313  11.240  -2.143  1.00  0.76           C  
ATOM    123  O   GLY A   8       2.087  11.258  -3.351  1.00  0.83           O  
ATOM    124  H   GLY A   8       2.975  12.455   0.578  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       2.796  13.239  -1.601  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       4.182  12.248  -2.041  1.00  0.99           H  
ATOM    127  N   CYS A   9       1.771  10.355  -1.325  1.00  0.61           N  
ATOM    128  CA  CYS A   9       0.890   9.310  -1.806  1.00  0.55           C  
ATOM    129  C   CYS A   9      -0.509   9.489  -1.214  1.00  0.92           C  
ATOM    130  O   CYS A   9      -0.771  10.452  -0.489  1.00  1.94           O  
ATOM    131  CB  CYS A   9       1.462   7.941  -1.430  1.00  0.42           C  
ATOM    132  SG  CYS A   9       0.715   6.549  -2.312  1.00  0.36           S  
ATOM    133  H   CYS A   9       1.968  10.406  -0.365  1.00  0.60           H  
ATOM    134  HA  CYS A   9       0.831   9.389  -2.881  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       2.519   7.933  -1.640  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       1.311   7.781  -0.373  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.394   8.557  -1.517  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -2.762   8.648  -1.059  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.678   7.759  -1.870  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.670   8.221  -2.435  1.00  0.90           O  
ATOM    141  H   GLY A  10      -1.109   7.786  -2.052  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -2.806   8.351  -0.022  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -3.094   9.670  -1.147  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.336   6.481  -1.933  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -4.102   5.519  -2.711  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.878   4.587  -1.784  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.374   4.208  -0.727  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -3.165   4.705  -3.614  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -2.438   5.536  -4.664  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -3.405   6.128  -5.679  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -2.693   7.001  -6.703  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -1.703   6.237  -7.506  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -2.557   6.169  -1.428  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.800   6.067  -3.321  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -2.424   4.221  -2.995  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.744   3.947  -4.122  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -1.915   6.342  -4.170  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -1.727   4.906  -5.180  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -3.906   5.323  -6.196  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -4.135   6.727  -5.157  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -3.430   7.425  -7.369  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -2.182   7.798  -6.183  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -0.920   5.915  -6.904  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -1.319   6.839  -8.264  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -2.158   5.408  -7.939  1.00  1.93           H  
HETATM  166  N   MMO A  12      -6.114   4.214  -2.152  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.914   3.314  -1.304  1.00  0.17           C  
HETATM  168  C   MMO A  12      -7.102   1.928  -1.917  1.00  0.14           C  
HETATM  169  O   MMO A  12      -7.327   1.780  -3.121  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -8.262   4.025  -1.126  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -8.166   5.330  -0.349  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -9.519   6.015  -0.236  1.00  0.55           C  
HETATM  173  NE  MMO A  12      -9.419   7.324   0.410  1.00  1.09           N  
HETATM  174  CZ  MMO A  12     -10.430   7.932   1.032  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -11.624   7.364   1.082  1.00  1.59           N  
HETATM  176  NH1 MMO A  12     -10.241   9.119   1.594  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.671   4.706  -3.433  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -6.448   3.195  -0.336  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.931   3.366  -0.592  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.679   4.237  -2.098  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -7.478   5.991  -0.855  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -7.799   5.119   0.644  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12     -10.178   5.387   0.344  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.929   6.144  -1.227  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -11.778   6.473   0.650  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -12.381   7.821   1.553  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -11.000   9.581   2.065  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -7.515   4.095  -3.715  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -5.913   4.646  -4.201  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -6.990   5.730  -3.321  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -8.547   7.776   0.374  1.00  1.66           H  
HETATM  192 HH12 MMO A  12      -9.343   9.561   1.550  1.00  3.06           H  
ATOM    193  N   PHE A  13      -7.004   0.919  -1.067  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -7.070  -0.469  -1.485  1.00  0.12           C  
ATOM    195  C   PHE A  13      -8.056  -1.229  -0.607  1.00  0.16           C  
ATOM    196  O   PHE A  13      -8.290  -0.853   0.544  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.685  -1.111  -1.373  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.633  -0.402  -2.173  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.386  -0.761  -3.485  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.895   0.626  -1.611  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.420  -0.108  -4.224  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -2.930   1.283  -2.342  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.692   0.917  -3.652  1.00  0.36           C  
ATOM    204  H   PHE A  13      -6.884   1.118  -0.115  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.401  -0.503  -2.511  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.374  -1.102  -0.339  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.738  -2.132  -1.720  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -4.958  -1.561  -3.932  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -4.084   0.914  -0.586  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.234  -0.397  -5.247  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.361   2.084  -1.892  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -1.935   1.430  -4.228  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.637  -2.287  -1.146  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.576  -3.099  -0.387  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.922  -4.400   0.076  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.585  -5.282   0.621  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.857  -3.398  -1.205  1.00  0.46           C  
ATOM    218  OG1 THR A  14     -11.798  -4.129  -0.408  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -10.539  -4.189  -2.467  1.00  0.93           C  
ATOM    220  H   THR A  14      -8.441  -2.523  -2.082  1.00  0.30           H  
ATOM    221  HA  THR A  14      -9.861  -2.533   0.488  1.00  0.34           H  
ATOM    222  HB  THR A  14     -11.306  -2.457  -1.495  1.00  1.25           H  
ATOM    223  HG1 THR A  14     -11.320  -4.772   0.139  1.00  1.99           H  
ATOM    224 HG21 THR A  14     -11.436  -4.301  -3.058  1.00  1.54           H  
ATOM    225 HG22 THR A  14     -10.167  -5.163  -2.193  1.00  1.62           H  
ATOM    226 HG23 THR A  14      -9.791  -3.666  -3.041  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.615  -4.506  -0.131  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.864  -5.690   0.261  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.534  -5.288   0.876  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.723  -4.609   0.241  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.618  -6.590  -0.951  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -7.894  -7.118  -1.581  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -7.618  -7.828  -2.892  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -8.851  -8.149  -3.604  1.00  1.27           N  
ATOM    235  CZ  ARG A  15      -9.040  -7.930  -4.902  1.00  1.98           C  
ATOM    236  NH1 ARG A  15      -8.078  -7.384  -5.640  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15     -10.197  -8.253  -5.463  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.140  -3.766  -0.560  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.445  -6.229   0.993  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -6.082  -6.024  -1.697  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -6.014  -7.432  -0.647  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.359  -7.814  -0.897  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -8.560  -6.290  -1.762  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -7.011  -7.189  -3.512  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -7.084  -8.743  -2.686  1.00  1.50           H  
ATOM    246  HE  ARG A  15      -9.580  -8.552  -3.080  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -7.203  -7.135  -5.224  1.00  2.52           H  
ATOM    248 HH12 ARG A  15      -8.228  -7.212  -6.615  1.00  3.13           H  
ATOM    249 HH21 ARG A  15     -10.930  -8.662  -4.909  1.00  2.68           H  
ATOM    250 HH22 ARG A  15     -10.347  -8.097  -6.441  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.321  -5.716   2.116  1.00  0.15           N  
ATOM    252  CA  SER A  16      -4.106  -5.398   2.853  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.880  -5.953   2.142  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.821  -5.324   2.119  1.00  0.17           O  
ATOM    255  CB  SER A  16      -4.206  -5.949   4.276  1.00  0.24           C  
ATOM    256  OG  SER A  16      -4.718  -7.273   4.270  1.00  1.27           O  
ATOM    257  H   SER A  16      -6.005  -6.271   2.551  1.00  0.17           H  
ATOM    258  HA  SER A  16      -4.020  -4.322   2.896  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -3.226  -5.956   4.729  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -4.869  -5.323   4.857  1.00  1.05           H  
ATOM    261  HG  SER A  16      -4.077  -7.865   4.686  1.00  1.61           H  
HETATM  262  OE1 B3D A  17      -2.612 -10.935   0.330  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -2.678 -10.145   1.295  1.00  1.42           C  
HETATM  264  OE2 B3D A  17      -3.609 -10.182   2.127  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.585  -9.097   1.458  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -1.944  -7.732   0.836  1.00  0.19           C  
HETATM  267  N   B3D A  17      -3.023  -7.132   1.565  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.346  -7.972  -0.621  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.906  -6.873  -1.552  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.711  -6.678  -1.791  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -0.691  -9.469   0.989  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -1.400  -8.963   2.513  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -1.106  -7.008   0.883  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.880  -7.605   1.642  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.904  -8.898  -0.957  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.421  -8.051  -0.679  1.00  0.15           H  
ATOM    277  N   GLU A  18      -2.889  -6.132  -2.060  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.644  -5.014  -2.960  1.00  0.21           C  
ATOM    279  C   GLU A  18      -1.897  -3.900  -2.248  1.00  0.15           C  
ATOM    280  O   GLU A  18      -0.980  -3.309  -2.807  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -3.962  -4.459  -3.494  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -4.796  -5.464  -4.263  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -6.113  -4.874  -4.714  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -6.980  -4.626  -3.853  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -6.286  -4.653  -5.932  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.813  -6.349  -1.822  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -2.049  -5.369  -3.785  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.550  -4.106  -2.659  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -3.749  -3.627  -4.148  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -4.242  -5.786  -5.131  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -4.997  -6.312  -3.627  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.303  -3.613  -1.017  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.695  -2.545  -0.237  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.212  -2.827  -0.014  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.633  -1.979  -0.294  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.451  -2.380   1.096  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -2.005  -1.234   2.022  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -0.787  -1.628   2.844  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -1.716   0.032   1.225  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.038  -4.134  -0.621  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -1.789  -1.633  -0.806  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.495  -2.230   0.865  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.360  -3.306   1.645  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -2.807  -1.014   2.710  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -0.489  -0.798   3.467  1.00  1.31           H  
ATOM    306 HD12 LEU A  19       0.024  -1.892   2.182  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -1.034  -2.475   3.466  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -2.601   0.323   0.681  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -0.911  -0.154   0.530  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -1.433   0.825   1.899  1.00  1.36           H  
ATOM    311  N   GLN A  20       0.098  -4.020   0.475  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.482  -4.391   0.757  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.296  -4.516  -0.532  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.320  -3.850  -0.700  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.547  -5.705   1.536  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.937  -6.012   2.074  1.00  0.37           C  
ATOM    317  CD  GLN A  20       3.383  -5.016   3.129  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       2.566  -4.489   3.884  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       4.675  -4.732   3.181  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.621  -4.661   0.668  1.00  0.16           H  
ATOM    321  HA  GLN A  20       1.913  -3.607   1.361  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       0.863  -5.653   2.370  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.248  -6.511   0.886  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       2.928  -6.999   2.511  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.637  -5.987   1.253  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       5.276  -5.175   2.541  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       4.982  -4.088   3.858  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.842  -5.363  -1.449  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.550  -5.551  -2.688  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.685  -7.054  -2.963  1.00  0.29           C  
HETATM  331  CG  HMR A  21       3.365  -7.823  -1.845  1.00  0.51           C  
HETATM  332  CD  HMR A  21       3.438  -9.309  -2.157  1.00  0.94           C  
HETATM  333  NE  HMR A  21       4.030 -10.069  -1.061  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       4.255 -11.380  -1.097  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       3.941 -12.087  -2.178  1.00  1.94           N  
HETATM  336  NH2 HMR A  21       4.795 -11.981  -0.047  1.00  3.01           N  
HETATM  337  C   HMR A  21       2.235  -3.566  -4.221  1.00  0.17           C  
HETATM  338  O   HMR A  21       3.198  -3.362  -4.966  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.787  -4.957  -3.869  1.00  0.16           C  
HETATM  340  H   HMR A  21       1.003  -5.857  -1.288  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.528  -5.044  -2.570  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       3.257  -7.194  -3.868  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.700  -7.467  -3.103  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       2.800  -7.683  -0.935  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       4.366  -7.440  -1.712  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       4.036  -9.452  -3.047  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       2.438  -9.675  -2.334  1.00  1.23           H  
HETATM  348  HE  HMR A  21       4.273  -9.570  -0.246  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       3.530 -11.638  -2.975  1.00  1.68           H  
HETATM  350 HH21 HMR A  21       4.969 -12.970  -0.063  1.00  3.31           H  
HETATM  351 HH22 HMR A  21       5.030 -11.449   0.771  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.930  -5.588  -4.731  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.735  -4.920  -3.625  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       4.112 -13.076  -2.199  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.526  -2.602  -3.661  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.775  -1.198  -3.908  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.890  -0.663  -3.010  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.776   0.045  -3.481  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.476  -0.408  -3.697  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.674   1.069  -3.564  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.553   1.981  -4.607  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       1.032   1.787  -2.475  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       0.851   3.198  -4.118  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       1.140   3.099  -2.847  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.792  -2.851  -3.055  1.00  0.18           H  
ATOM    366  HA  HIS A  22       2.081  -1.095  -4.936  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.179  -0.580  -4.536  1.00  0.25           H  
ATOM    368  HB3 HIS A  22      -0.004  -0.761  -2.795  1.00  0.25           H  
ATOM    369  HD1 HIS A  22       0.297   1.772  -5.534  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.192   1.403  -1.478  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       0.848   4.115  -4.689  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.835  -0.988  -1.719  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.806  -0.469  -0.754  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.225  -0.796  -1.205  1.00  0.17           C  
ATOM    375  O   LYS A  23       6.120   0.057  -1.163  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.545  -1.053   0.639  1.00  0.27           C  
ATOM    377  CG  LYS A  23       4.262  -0.319   1.765  1.00  0.73           C  
ATOM    378  CD  LYS A  23       3.606   1.021   2.082  1.00  0.61           C  
ATOM    379  CE  LYS A  23       2.179   0.847   2.588  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       1.577   2.135   3.020  1.00  1.01           N1+
ATOM    381  H   LYS A  23       2.122  -1.587  -1.404  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.694   0.603  -0.715  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       2.485  -1.022   0.835  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       3.872  -2.083   0.647  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       4.245  -0.935   2.652  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       5.285  -0.143   1.468  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       4.186   1.526   2.842  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       3.589   1.622   1.186  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       1.577   0.429   1.796  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       2.191   0.167   3.427  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       1.526   2.799   2.220  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       2.153   2.564   3.774  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       0.618   1.978   3.387  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.425  -2.029  -1.646  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.714  -2.444  -2.127  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.945  -3.908  -1.717  1.00  0.30           C  
HETATM  397  CG  HMR A  24       8.339  -4.430  -2.026  1.00  0.34           C  
HETATM  398  CD  HMR A  24       8.492  -5.885  -1.609  1.00  0.50           C  
HETATM  399  NE  HMR A  24       9.835  -6.393  -1.887  1.00  0.95           N  
HETATM  400  CZ  HMR A  24      10.318  -7.539  -1.411  1.00  1.35           C  
HETATM  401  NH1 HMR A  24      11.553  -7.909  -1.722  1.00  1.85           N  
HETATM  402  NH2 HMR A  24       9.572  -8.310  -0.626  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.310  -1.081  -4.196  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.511  -0.932  -4.426  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.765  -2.382  -3.657  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.678  -2.674  -1.632  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.452  -1.747  -1.684  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       6.230  -4.528  -2.237  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       6.780  -3.998  -0.656  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       9.062  -3.833  -1.490  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       8.519  -4.351  -3.086  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.771  -6.479  -2.150  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       8.300  -5.964  -0.549  1.00  0.77           H  
HETATM  414  HE  HMR A  24      10.412  -5.844  -2.465  1.00  1.18           H  
HETATM  415  HH1 HMR A  24      12.119  -7.327  -2.315  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       8.639  -8.034  -0.389  1.00  1.35           H  
HETATM  417 HH22 HMR A  24       9.939  -9.174  -0.268  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       7.391  -3.180  -4.016  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.766  -2.516  -4.045  1.00  0.23           H  
HETATM  420  HH2 HMR A  24      11.929  -8.769  -1.369  1.00  2.15           H  
ATOM    421  N   THR A  25       6.408  -0.123  -4.382  1.00  0.16           N  
ATOM    422  CA  THR A  25       6.735   1.164  -4.970  1.00  0.23           C  
ATOM    423  C   THR A  25       7.606   2.010  -4.044  1.00  0.22           C  
ATOM    424  O   THR A  25       8.624   2.559  -4.468  1.00  0.34           O  
ATOM    425  CB  THR A  25       5.447   1.938  -5.307  1.00  0.34           C  
ATOM    426  OG1 THR A  25       4.625   1.152  -6.180  1.00  1.33           O  
ATOM    427  CG2 THR A  25       5.757   3.276  -5.961  1.00  1.09           C  
ATOM    428  H   THR A  25       5.479  -0.290  -4.108  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.270   0.985  -5.888  1.00  0.30           H  
ATOM    430  HB  THR A  25       4.907   2.121  -4.389  1.00  0.94           H  
ATOM    431  HG1 THR A  25       3.713   1.469  -6.130  1.00  1.98           H  
ATOM    432 HG21 THR A  25       4.833   3.797  -6.169  1.00  1.66           H  
ATOM    433 HG22 THR A  25       6.292   3.110  -6.885  1.00  1.47           H  
ATOM    434 HG23 THR A  25       6.364   3.870  -5.295  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.220   2.103  -2.779  1.00  0.20           N  
ATOM    436  CA  HIS A  26       7.939   2.951  -1.840  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.111   2.192  -1.241  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.154   2.768  -0.942  1.00  0.38           O  
ATOM    439  CB  HIS A  26       7.024   3.440  -0.719  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.769   4.108  -1.186  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.719   5.329  -1.855  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.484   3.709  -1.037  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.421   5.621  -2.076  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.669   4.668  -1.594  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.450   1.575  -2.466  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.318   3.804  -2.385  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.737   2.596  -0.110  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.566   4.148  -0.107  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.491   5.883  -2.113  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       4.147   2.800  -0.569  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.058   6.507  -2.572  1.00  0.37           H  
HETATM  452  CG  B3T A  27       9.457  -0.750   0.708  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       8.328  -1.534   0.320  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       9.061   0.177   1.847  1.00  0.76           C  
HETATM  455  CA  B3T A  27       9.974   0.052  -0.499  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.926   0.892  -1.056  1.00  0.36           N  
HETATM  457  CB  B3T A  27      10.524  -0.892  -1.568  1.00  0.62           C  
HETATM  458  C   B3T A  27      12.038  -0.968  -1.546  1.00  0.82           C  
HETATM  459  O   B3T A  27      12.718   0.057  -1.455  1.00  1.03           O  
HETATM  460  HG  B3T A  27      10.243  -1.405   1.052  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       7.573  -0.955   0.172  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27       9.918   0.754   2.158  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27       8.699  -0.408   2.679  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27       8.281   0.845   1.511  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.770   0.701  -0.161  1.00  0.52           H  
HETATM  466  H   B3T A  27       8.062   0.490  -1.293  1.00  0.39           H  
HETATM  467  HB1 B3T A  27      10.213  -0.544  -2.541  1.00  0.63           H  
HETATM  468  HB2 B3T A  27      10.128  -1.882  -1.400  1.00  0.70           H  
ATOM    469  N   GLY A  28      12.574  -2.181  -1.636  1.00  1.30           N  
ATOM    470  CA  GLY A  28      14.009  -2.370  -1.569  1.00  1.53           C  
ATOM    471  C   GLY A  28      14.532  -2.232  -0.155  1.00  1.68           C  
ATOM    472  O   GLY A  28      14.969  -3.210   0.453  1.00  2.18           O  
ATOM    473  H   GLY A  28      11.987  -2.956  -1.762  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      14.252  -3.355  -1.937  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      14.490  -1.634  -2.193  1.00  1.58           H  
ATOM    476  N   GLU A  29      14.467  -1.019   0.373  1.00  1.96           N  
ATOM    477  CA  GLU A  29      14.899  -0.743   1.732  1.00  2.41           C  
ATOM    478  C   GLU A  29      13.827  -1.177   2.723  1.00  2.39           C  
ATOM    479  O   GLU A  29      13.073  -0.354   3.245  1.00  3.19           O  
ATOM    480  CB  GLU A  29      15.204   0.748   1.905  1.00  3.15           C  
ATOM    481  CG  GLU A  29      16.280   1.260   0.963  1.00  3.91           C  
ATOM    482  CD  GLU A  29      17.579   0.500   1.104  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      18.346   0.792   2.043  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      17.839  -0.399   0.278  1.00  4.51           O1-
ATOM    485  H   GLU A  29      14.104  -0.284  -0.171  1.00  2.25           H  
ATOM    486  HA  GLU A  29      15.798  -1.311   1.916  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      14.301   1.312   1.728  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      15.531   0.923   2.919  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      15.931   1.161  -0.054  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      16.464   2.302   1.181  1.00  4.26           H  
ATOM    491  N   LYS A  30      13.753  -2.475   2.962  1.00  1.95           N  
ATOM    492  CA  LYS A  30      12.763  -3.026   3.867  1.00  2.32           C  
ATOM    493  C   LYS A  30      13.323  -4.265   4.552  1.00  2.89           C  
ATOM    494  O   LYS A  30      13.629  -4.243   5.742  1.00  3.15           O  
ATOM    495  CB  LYS A  30      11.477  -3.367   3.105  1.00  2.23           C  
ATOM    496  CG  LYS A  30      10.307  -3.736   4.006  1.00  2.98           C  
ATOM    497  CD  LYS A  30       9.927  -2.585   4.921  1.00  3.35           C  
ATOM    498  CE  LYS A  30       8.729  -2.929   5.785  1.00  3.96           C  
ATOM    499  NZ  LYS A  30       8.373  -1.816   6.701  1.00  4.54           N1+
ATOM    500  H   LYS A  30      14.388  -3.081   2.520  1.00  1.83           H  
ATOM    501  HA  LYS A  30      12.544  -2.280   4.617  1.00  2.86           H  
ATOM    502  HB2 LYS A  30      11.187  -2.513   2.513  1.00  2.41           H  
ATOM    503  HB3 LYS A  30      11.673  -4.200   2.446  1.00  2.30           H  
ATOM    504  HG2 LYS A  30       9.456  -3.988   3.391  1.00  3.30           H  
ATOM    505  HG3 LYS A  30      10.584  -4.589   4.610  1.00  3.48           H  
ATOM    506  HD2 LYS A  30      10.764  -2.356   5.564  1.00  3.50           H  
ATOM    507  HD3 LYS A  30       9.687  -1.721   4.317  1.00  3.54           H  
ATOM    508  HE2 LYS A  30       7.886  -3.139   5.142  1.00  4.07           H  
ATOM    509  HE3 LYS A  30       8.963  -3.806   6.371  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30       7.555  -2.080   7.284  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30       8.134  -0.965   6.153  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30       9.176  -1.597   7.324  1.00  4.84           H  
HETATM  513  N   NH2 A  31      13.464  -5.342   3.799  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31      13.202  -5.287   2.856  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31      13.828  -6.154   4.214  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.674   4.573  -1.626  1.00  0.26          ZN  
ENDMDL                                                                          
MODEL        7                                                                  
ATOM      1  N   PRO A   1     -11.732  -0.295   3.906  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.670  -0.061   2.906  1.00  0.45           C  
ATOM      3  C   PRO A   1      -9.385   0.376   3.591  1.00  0.37           C  
ATOM      4  O   PRO A   1      -9.415   0.863   4.718  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -11.136   1.008   1.930  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -12.440   1.457   2.494  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -12.949   0.316   3.346  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -11.369   0.099   4.793  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -11.712  -1.328   4.075  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -10.489  -0.983   2.373  1.00  1.10           H  
ATOM     11  HB2 PRO A   1     -10.416   1.814   1.897  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -11.259   0.582   0.947  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -12.294   2.340   3.099  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -13.132   1.661   1.692  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -13.584   0.690   4.135  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -13.487  -0.396   2.738  1.00  1.32           H  
ATOM     17  N   PHE A   2      -8.264   0.202   2.908  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -6.969   0.565   3.460  1.00  0.26           C  
ATOM     19  C   PHE A   2      -6.343   1.659   2.606  1.00  0.26           C  
ATOM     20  O   PHE A   2      -6.310   1.539   1.385  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -6.045  -0.653   3.505  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.654  -1.842   4.188  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -7.173  -2.893   3.449  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.716  -1.905   5.570  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -7.742  -3.983   4.075  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -7.283  -2.994   6.202  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -7.796  -4.035   5.453  1.00  0.35           C  
ATOM     28  H   PHE A   2      -8.306  -0.172   1.998  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -7.123   0.937   4.462  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -5.794  -0.943   2.494  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -5.141  -0.392   4.035  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -7.129  -2.856   2.369  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -6.314  -1.091   6.154  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -8.142  -4.793   3.487  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -7.324  -3.032   7.281  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -8.242  -4.886   5.945  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.851   2.743   3.215  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -6.224   8.720   1.623  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -6.634   7.484   2.397  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -5.701   6.327   2.077  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -6.098   5.065   2.825  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -5.270   3.839   2.432  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -5.880   2.833   4.690  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.795   4.064   2.738  1.00  0.39           C  
HETATM   45  O   9KK A   3      -3.411   4.319   3.880  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -5.216   8.996   1.894  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -6.270   8.512   0.564  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -6.896   9.531   1.860  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -6.587   7.704   3.453  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -7.645   7.220   2.118  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -5.732   6.131   1.017  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -4.695   6.599   2.364  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -5.974   5.244   3.881  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -7.139   4.862   2.621  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -5.381   3.659   1.372  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -6.887   3.033   5.019  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -5.540   1.902   5.115  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -5.230   3.635   5.011  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.973   3.970   1.706  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.547   4.195   1.841  1.00  0.30           C  
ATOM     61  C   CYS A   4      -1.277   5.671   2.092  1.00  0.67           C  
ATOM     62  O   CYS A   4      -1.237   6.473   1.159  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.803   3.732   0.588  1.00  0.29           C  
ATOM     64  SG  CYS A   4       0.982   4.017   0.650  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.344   3.758   0.819  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -1.201   3.625   2.690  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -0.962   2.672   0.452  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.193   4.260  -0.270  1.00  0.45           H  
ATOM     69  N   THR A   5      -1.089   6.021   3.351  1.00  0.40           N  
ATOM     70  CA  THR A   5      -0.860   7.402   3.729  1.00  0.47           C  
ATOM     71  C   THR A   5       0.633   7.696   3.813  1.00  0.41           C  
ATOM     72  O   THR A   5       1.092   8.413   4.703  1.00  0.54           O  
ATOM     73  CB  THR A   5      -1.542   7.729   5.072  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -1.134   6.787   6.076  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -3.055   7.692   4.929  1.00  1.47           C  
ATOM     76  H   THR A   5      -1.099   5.332   4.048  1.00  1.12           H  
ATOM     77  HA  THR A   5      -1.298   8.028   2.965  1.00  0.62           H  
ATOM     78  HB  THR A   5      -1.249   8.724   5.378  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -1.575   7.004   6.909  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -3.361   6.707   4.610  1.00  1.77           H  
ATOM     81 HG22 THR A   5      -3.366   8.420   4.195  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -3.512   7.922   5.880  1.00  1.94           H  
ATOM     83  N   TRP A   6       1.382   7.123   2.880  1.00  0.37           N  
ATOM     84  CA  TRP A   6       2.816   7.337   2.798  1.00  0.47           C  
ATOM     85  C   TRP A   6       3.102   8.799   2.483  1.00  0.61           C  
ATOM     86  O   TRP A   6       2.270   9.476   1.875  1.00  0.63           O  
ATOM     87  CB  TRP A   6       3.409   6.432   1.711  1.00  0.47           C  
ATOM     88  CG  TRP A   6       4.903   6.355   1.724  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       5.775   7.179   1.074  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       5.700   5.385   2.407  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       7.067   6.784   1.318  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       7.046   5.683   2.135  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       5.403   4.292   3.227  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       8.095   4.928   2.653  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       6.445   3.546   3.741  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       7.775   3.867   3.454  1.00  0.94           C  
ATOM     97  H   TRP A   6       0.954   6.540   2.222  1.00  0.38           H  
ATOM     98  HA  TRP A   6       3.255   7.085   3.752  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       3.025   5.433   1.838  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       3.103   6.803   0.745  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       5.478   8.019   0.464  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       7.874   7.218   0.965  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       4.383   4.029   3.460  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       9.126   5.162   2.441  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       6.237   2.701   4.378  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       8.556   3.255   3.880  1.00  1.05           H  
HETATM  107  N   AIB A   7       4.262   9.274   2.916  1.00  0.79           N  
HETATM  108  CA  AIB A   7       4.699  10.649   2.660  1.00  0.99           C  
HETATM  109  C   AIB A   7       4.686  10.925   1.148  1.00  0.94           C  
HETATM  110  O   AIB A   7       5.571  10.465   0.420  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       6.106  10.831   3.190  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       3.803  11.630   3.402  1.00  1.13           C  
HETATM  113  H   AIB A   7       4.847   8.682   3.431  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       6.119  10.641   4.252  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       6.434  11.843   3.000  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       6.767  10.139   2.692  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       4.103  12.641   3.169  1.00  1.35           H  
HETATM  118 HB22 AIB A   7       3.893  11.464   4.466  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       2.777  11.478   3.102  1.00  1.63           H  
ATOM    120  N   GLY A   8       3.681  11.657   0.680  1.00  0.95           N  
ATOM    121  CA  GLY A   8       3.602  12.003  -0.726  1.00  0.93           C  
ATOM    122  C   GLY A   8       2.722  11.051  -1.514  1.00  0.76           C  
ATOM    123  O   GLY A   8       2.714  11.073  -2.746  1.00  0.83           O  
ATOM    124  H   GLY A   8       2.982  11.964   1.295  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       3.200  13.000  -0.815  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       4.598  11.986  -1.147  1.00  0.99           H  
ATOM    127  N   CYS A   9       1.986  10.213  -0.802  1.00  0.61           N  
ATOM    128  CA  CYS A   9       1.122   9.231  -1.429  1.00  0.55           C  
ATOM    129  C   CYS A   9      -0.298   9.361  -0.885  1.00  0.92           C  
ATOM    130  O   CYS A   9      -0.574  10.233  -0.059  1.00  1.94           O  
ATOM    131  CB  CYS A   9       1.667   7.830  -1.157  1.00  0.42           C  
ATOM    132  SG  CYS A   9       0.947   6.521  -2.174  1.00  0.36           S  
ATOM    133  H   CYS A   9       2.024  10.255   0.178  1.00  0.60           H  
ATOM    134  HA  CYS A   9       1.115   9.414  -2.493  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       2.731   7.829  -1.328  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       1.476   7.582  -0.124  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.190   8.490  -1.344  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -2.566   8.523  -0.890  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.471   7.627  -1.714  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.537   8.050  -2.157  1.00  0.90           O  
ATOM    141  H   GLY A  10      -0.905   7.814  -1.996  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -2.601   8.205   0.141  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -2.928   9.537  -0.955  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.052   6.386  -1.914  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -3.818   5.439  -2.716  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.704   4.566  -1.823  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.316   4.235  -0.704  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -2.869   4.563  -3.540  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -2.126   5.308  -4.642  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -3.077   5.808  -5.721  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -2.331   6.326  -6.944  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -1.504   7.524  -6.639  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -2.216   6.093  -1.503  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.448   6.006  -3.384  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -2.137   4.129  -2.874  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.440   3.767  -3.994  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -1.611   6.154  -4.209  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -1.406   4.640  -5.091  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -3.719   4.995  -6.022  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -3.678   6.608  -5.313  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -1.688   5.543  -7.314  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -3.052   6.584  -7.707  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -2.106   8.293  -6.279  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -1.020   7.853  -7.498  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -0.790   7.294  -5.920  1.00  1.93           H  
HETATM  166  N   MMO A  12      -5.906   4.178  -2.296  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.817   3.353  -1.474  1.00  0.17           C  
HETATM  168  C   MMO A  12      -7.075   1.968  -2.067  1.00  0.14           C  
HETATM  169  O   MMO A  12      -7.363   1.818  -3.255  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -8.120   4.157  -1.402  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -7.978   5.482  -0.672  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -9.282   6.259  -0.667  1.00  0.55           C  
HETATM  173  NE  MMO A  12     -10.303   5.631   0.169  1.00  1.09           N  
HETATM  174  CZ  MMO A  12     -11.612   5.858   0.044  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -12.065   6.657  -0.917  1.00  1.59           N  
HETATM  176  NH1 MMO A  12     -12.465   5.280   0.883  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.311   4.569  -3.667  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -6.423   3.231  -0.476  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.863   3.567  -0.886  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.463   4.357  -2.406  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -7.216   6.073  -1.160  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -7.686   5.287   0.348  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12      -9.648   6.322  -1.679  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.089   7.252  -0.293  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -11.424   7.097  -1.555  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -13.049   6.825  -1.010  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -13.455   5.445   0.795  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -5.468   4.464  -4.335  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -6.646   5.596  -3.667  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -7.111   3.927  -4.000  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -9.992   5.024   0.879  1.00  1.66           H  
HETATM  192 HH12 MMO A  12     -12.127   4.681   1.612  1.00  3.06           H  
ATOM    193  N   PHE A  13      -6.981   0.960  -1.215  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -7.099  -0.429  -1.630  1.00  0.12           C  
ATOM    195  C   PHE A  13      -8.116  -1.156  -0.760  1.00  0.16           C  
ATOM    196  O   PHE A  13      -8.630  -0.591   0.209  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.735  -1.107  -1.520  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.667  -0.391  -2.287  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.488  -0.635  -3.637  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.832   0.511  -1.655  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.496   0.008  -4.343  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -2.837   1.160  -2.355  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.714   0.961  -3.713  1.00  0.36           C  
ATOM    204  H   PHE A  13      -6.823   1.158  -0.269  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.426  -0.450  -2.657  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.435  -1.139  -0.483  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.806  -2.112  -1.903  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -5.135  -1.342  -4.139  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -3.965   0.707  -0.603  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.368  -0.192  -5.397  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.193   1.862  -1.852  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -1.955   1.489  -4.269  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.414  -2.402  -1.111  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.393  -3.186  -0.370  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.752  -4.377   0.340  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.310  -4.912   1.298  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.530  -3.676  -1.293  1.00  0.46           C  
ATOM    218  OG1 THR A  14      -9.991  -4.278  -2.482  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -11.447  -2.523  -1.676  1.00  0.93           C  
ATOM    220  H   THR A  14      -7.973  -2.799  -1.898  1.00  0.30           H  
ATOM    221  HA  THR A  14      -9.827  -2.540   0.378  1.00  0.34           H  
ATOM    222  HB  THR A  14     -11.110  -4.414  -0.759  1.00  1.25           H  
ATOM    223  HG1 THR A  14      -9.034  -4.120  -2.526  1.00  1.99           H  
ATOM    224 HG21 THR A  14     -10.873  -1.758  -2.177  1.00  1.54           H  
ATOM    225 HG22 THR A  14     -11.898  -2.110  -0.786  1.00  1.62           H  
ATOM    226 HG23 THR A  14     -12.222  -2.882  -2.338  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.582  -4.792  -0.124  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.870  -5.892   0.508  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.506  -5.438   1.004  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.794  -4.692   0.323  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.707  -7.059  -0.465  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -8.024  -7.672  -0.911  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -7.799  -8.876  -1.809  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -9.053  -9.460  -2.282  1.00  1.27           N  
ATOM    235  CZ  ARG A  15      -9.179 -10.725  -2.689  1.00  1.98           C  
ATOM    236  NH1 ARG A  15      -8.126 -11.535  -2.689  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15     -10.358 -11.176  -3.102  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.196  -4.361  -0.915  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.455  -6.218   1.354  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -6.183  -6.708  -1.338  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -6.119  -7.827   0.012  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.578  -7.985  -0.038  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -8.591  -6.929  -1.453  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -7.214  -8.569  -2.662  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -7.254  -9.624  -1.252  1.00  1.50           H  
ATOM    246  HE  ARG A  15      -9.843  -8.874  -2.300  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -7.230 -11.199  -2.387  1.00  2.52           H  
ATOM    248 HH12 ARG A  15      -8.221 -12.486  -2.994  1.00  3.13           H  
ATOM    249 HH21 ARG A  15     -11.154 -10.566  -3.113  1.00  2.68           H  
ATOM    250 HH22 ARG A  15     -10.459 -12.130  -3.400  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.159  -5.901   2.201  1.00  0.15           N  
ATOM    252  CA  SER A  16      -3.901  -5.551   2.845  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.713  -6.061   2.045  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.662  -5.433   2.021  1.00  0.17           O  
ATOM    255  CB  SER A  16      -3.865  -6.116   4.262  1.00  0.24           C  
ATOM    256  OG  SER A  16      -4.961  -5.634   5.022  1.00  1.27           O  
ATOM    257  H   SER A  16      -5.776  -6.502   2.671  1.00  0.17           H  
ATOM    258  HA  SER A  16      -3.846  -4.475   2.895  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -3.917  -7.193   4.220  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -2.948  -5.815   4.744  1.00  1.05           H  
ATOM    261  HG  SER A  16      -5.205  -6.292   5.683  1.00  1.61           H  
HETATM  262  OE1 B3D A  17       0.894  -9.555   0.754  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -0.272  -9.770   0.355  1.00  1.42           C  
HETATM  264  OE2 B3D A  17      -0.519 -10.506  -0.625  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.438  -9.142   1.107  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -1.820  -7.747   0.586  1.00  0.19           C  
HETATM  267  N   B3D A  17      -2.875  -7.204   1.397  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.282  -7.914  -0.859  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.970  -6.720  -1.713  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.813  -6.456  -2.048  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -1.165  -9.061   2.145  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -2.293  -9.796   1.017  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -0.986  -7.020   0.641  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.726  -7.687   1.477  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.790  -8.774  -1.284  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.350  -8.070  -0.872  1.00  0.15           H  
ATOM    277  N   GLU A  18      -3.018  -5.976  -2.048  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.891  -4.757  -2.833  1.00  0.21           C  
ATOM    279  C   GLU A  18      -2.037  -3.731  -2.105  1.00  0.15           C  
ATOM    280  O   GLU A  18      -1.108  -3.170  -2.676  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -4.261  -4.137  -3.089  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -5.239  -5.033  -3.814  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -6.585  -4.365  -3.986  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -7.380  -4.361  -3.019  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -6.855  -3.824  -5.080  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.909  -6.260  -1.761  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -2.429  -5.005  -3.774  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.696  -3.870  -2.139  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -4.126  -3.240  -3.676  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -4.840  -5.274  -4.788  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -5.372  -5.940  -3.245  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.372  -3.493  -0.844  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.724  -2.456  -0.055  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.233  -2.746   0.115  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.601  -1.878  -0.120  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.434  -2.334   1.307  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -2.000  -1.176   2.227  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -0.697  -1.496   2.946  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -1.866   0.124   1.444  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.086  -4.030  -0.429  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -1.834  -1.525  -0.589  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.493  -2.226   1.118  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.281  -3.259   1.843  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -2.760  -1.030   2.979  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -0.426  -0.668   3.585  1.00  1.31           H  
ATOM    306 HD12 LEU A  19       0.084  -1.661   2.218  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -0.825  -2.386   3.544  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -1.114   0.009   0.677  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -1.576   0.921   2.113  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -2.812   0.367   0.987  1.00  1.36           H  
ATOM    311  N   GLN A  20       0.088  -3.967   0.514  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.466  -4.346   0.797  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.274  -4.527  -0.485  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.353  -3.946  -0.639  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.495  -5.627   1.632  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.885  -6.039   2.094  1.00  0.37           C  
ATOM    317  CD  GLN A  20       2.849  -7.185   3.088  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       3.747  -8.027   3.120  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       1.821  -7.218   3.921  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.627  -4.627   0.644  1.00  0.16           H  
ATOM    321  HA  GLN A  20       1.910  -3.550   1.373  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       0.876  -5.486   2.504  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.086  -6.433   1.043  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       3.461  -6.346   1.234  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.361  -5.190   2.561  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       1.145  -6.509   3.855  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       1.781  -7.945   4.578  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.757  -5.321  -1.415  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.453  -5.549  -2.653  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.601  -7.061  -2.873  1.00  0.29           C  
HETATM  331  CG  HMR A  21       3.071  -7.815  -1.640  1.00  0.51           C  
HETATM  332  CD  HMR A  21       3.273  -9.295  -1.922  1.00  0.94           C  
HETATM  333  NE  HMR A  21       3.268 -10.083  -0.689  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       4.114 -11.080  -0.429  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       5.045 -11.425  -1.314  1.00  1.94           N  
HETATM  336  NH2 HMR A  21       4.031 -11.736   0.722  1.00  3.01           N  
HETATM  337  C   HMR A  21       2.048  -3.602  -4.222  1.00  0.17           C  
HETATM  338  O   HMR A  21       2.882  -3.375  -5.101  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.661  -5.005  -3.841  1.00  0.16           C  
HETATM  340  H   HMR A  21       0.884  -5.750  -1.264  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.427  -5.026  -2.567  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       3.310  -7.231  -3.667  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.643  -7.460  -3.165  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       2.329  -7.705  -0.862  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       4.007  -7.391  -1.307  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       4.221  -9.428  -2.419  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       2.478  -9.640  -2.565  1.00  1.23           H  
HETATM  348  HE  HMR A  21       2.575  -9.859  -0.020  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       5.116 -10.937  -2.187  1.00  1.68           H  
HETATM  350 HH21 HMR A  21       4.668 -12.487   0.922  1.00  3.31           H  
HETATM  351 HH22 HMR A  21       3.331 -11.486   1.395  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.825  -5.646  -4.691  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.609  -5.007  -3.592  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       5.681 -12.175  -1.112  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.423  -2.649  -3.554  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.674  -1.242  -3.785  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.821  -0.733  -2.914  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.737  -0.085  -3.423  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.394  -0.440  -3.526  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.625   1.030  -3.392  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.528   1.945  -4.437  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       1.009   1.735  -2.305  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       0.870   3.152  -3.950  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       1.160   3.043  -2.680  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.750  -2.906  -2.884  1.00  0.18           H  
ATOM    366  HA  HIS A  22       1.952  -1.125  -4.820  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.292  -0.595  -4.344  1.00  0.25           H  
ATOM    368  HB3 HIS A  22      -0.063  -0.790  -2.611  1.00  0.25           H  
ATOM    369  HD1 HIS A  22       0.266   1.743  -5.364  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.160   1.348  -1.310  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       0.892   4.068  -4.518  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.761  -1.025  -1.607  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.761  -0.535  -0.656  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.150  -0.835  -1.184  1.00  0.17           C  
ATOM    375  O   LYS A  23       6.052   0.000  -1.112  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.562  -1.166   0.726  1.00  0.27           C  
ATOM    377  CG  LYS A  23       4.366  -0.499   1.838  1.00  0.73           C  
ATOM    378  CD  LYS A  23       3.821   0.881   2.193  1.00  0.61           C  
ATOM    379  CE  LYS A  23       2.401   0.803   2.745  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       1.888   2.141   3.143  1.00  1.01           N1+
ATOM    381  H   LYS A  23       2.026  -1.587  -1.278  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.644   0.534  -0.579  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       2.515  -1.108   0.985  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       3.853  -2.204   0.675  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       4.329  -1.123   2.717  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       5.391  -0.396   1.512  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       4.461   1.331   2.940  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       3.819   1.495   1.307  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       1.753   0.393   1.986  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       2.398   0.155   3.609  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       2.520   2.572   3.851  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       0.939   2.052   3.558  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       1.834   2.769   2.316  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.317  -2.033  -1.723  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.566  -2.403  -2.322  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.881  -3.873  -2.015  1.00  0.30           C  
HETATM  397  CG  HMR A  24       8.233  -4.334  -2.534  1.00  0.34           C  
HETATM  398  CD  HMR A  24       8.446  -5.816  -2.290  1.00  0.50           C  
HETATM  399  NE  HMR A  24       9.745  -6.263  -2.779  1.00  0.95           N  
HETATM  400  CZ  HMR A  24       9.991  -7.489  -3.232  1.00  1.35           C  
HETATM  401  NH1 HMR A  24      11.204  -7.806  -3.659  1.00  1.85           N  
HETATM  402  NH2 HMR A  24       9.027  -8.400  -3.263  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.156  -1.037  -4.385  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.333  -1.081  -4.748  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.459  -2.259  -3.840  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.574  -2.681  -1.701  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.325  -1.710  -1.926  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       6.119  -4.491  -2.464  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       6.863  -4.016  -0.947  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       9.009  -3.780  -2.028  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       8.286  -4.144  -3.593  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.669  -6.367  -2.797  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       8.386  -6.004  -1.230  1.00  0.77           H  
HETATM  414  HE  HMR A  24      10.479  -5.606  -2.769  1.00  1.18           H  
HETATM  415  HH1 HMR A  24      11.943  -7.123  -3.644  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       8.103  -8.170  -2.945  1.00  1.35           H  
HETATM  417 HH22 HMR A  24       9.218  -9.325  -3.606  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       6.891  -3.129  -4.303  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.417  -2.200  -4.113  1.00  0.23           H  
HETATM  420  HH2 HMR A  24      11.393  -8.731  -4.001  1.00  2.15           H  
ATOM    421  N   THR A  25       6.416   0.067  -4.443  1.00  0.16           N  
ATOM    422  CA  THR A  25       6.919   1.299  -5.031  1.00  0.23           C  
ATOM    423  C   THR A  25       7.600   2.187  -3.987  1.00  0.22           C  
ATOM    424  O   THR A  25       8.325   3.120  -4.335  1.00  0.34           O  
ATOM    425  CB  THR A  25       5.794   2.088  -5.742  1.00  0.34           C  
ATOM    426  OG1 THR A  25       6.355   3.175  -6.491  1.00  1.33           O  
ATOM    427  CG2 THR A  25       4.779   2.633  -4.744  1.00  1.09           C  
ATOM    428  H   THR A  25       5.501   0.048  -4.081  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.651   1.024  -5.774  1.00  0.30           H  
ATOM    430  HB  THR A  25       5.285   1.421  -6.423  1.00  0.94           H  
ATOM    431  HG1 THR A  25       7.294   3.271  -6.267  1.00  1.98           H  
ATOM    432 HG21 THR A  25       4.030   3.207  -5.269  1.00  1.66           H  
ATOM    433 HG22 THR A  25       5.284   3.265  -4.029  1.00  1.47           H  
ATOM    434 HG23 THR A  25       4.306   1.810  -4.228  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.368   1.908  -2.711  1.00  0.20           N  
ATOM    436  CA  HIS A  26       8.023   2.663  -1.652  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.134   1.826  -1.039  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.314   2.169  -1.124  1.00  0.38           O  
ATOM    439  CB  HIS A  26       7.039   3.069  -0.545  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.819   3.806  -1.008  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.833   5.044  -1.643  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.514   3.468  -0.876  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.553   5.408  -1.860  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.751   4.481  -1.410  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.754   1.176  -2.476  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.452   3.551  -2.090  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.702   2.178  -0.036  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.556   3.701   0.165  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.631   5.555  -1.902  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       4.129   2.562  -0.439  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.239   6.328  -2.329  1.00  0.37           H  
HETATM  452  CG  B3T A  27       9.509  -0.209   1.722  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       8.132  -0.436   2.051  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       9.975   1.102   2.332  1.00  0.76           C  
HETATM  455  CA  B3T A  27       9.687  -0.199   0.199  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.743   0.708  -0.444  1.00  0.36           N  
HETATM  457  CB  B3T A  27       9.523  -1.603  -0.387  1.00  0.62           C  
HETATM  458  C   B3T A  27      10.773  -2.443  -0.271  1.00  0.82           C  
HETATM  459  O   B3T A  27      11.807  -2.134  -0.872  1.00  1.03           O  
HETATM  460  HG  B3T A  27      10.106  -1.011   2.133  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       7.786   0.335   2.518  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27      11.017   1.258   2.098  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27       9.847   1.067   3.402  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27       9.388   1.914   1.926  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.679   0.154   0.014  1.00  0.52           H  
HETATM  466  H   B3T A  27       7.787   0.479  -0.437  1.00  0.39           H  
HETATM  467  HB1 B3T A  27       9.270  -1.518  -1.433  1.00  0.63           H  
HETATM  468  HB2 B3T A  27       8.721  -2.107   0.131  1.00  0.70           H  
ATOM    469  N   GLY A  28      10.680  -3.515   0.511  1.00  1.30           N  
ATOM    470  CA  GLY A  28      11.833  -4.353   0.767  1.00  1.53           C  
ATOM    471  C   GLY A  28      12.862  -3.659   1.640  1.00  1.68           C  
ATOM    472  O   GLY A  28      12.712  -2.473   1.962  1.00  2.18           O  
ATOM    473  H   GLY A  28       9.815  -3.744   0.911  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      11.507  -5.256   1.257  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      12.293  -4.612  -0.175  1.00  1.58           H  
ATOM    476  N   GLU A  29      13.896  -4.398   2.038  1.00  1.96           N  
ATOM    477  CA  GLU A  29      15.000  -3.840   2.818  1.00  2.41           C  
ATOM    478  C   GLU A  29      14.500  -3.246   4.133  1.00  2.39           C  
ATOM    479  O   GLU A  29      14.900  -2.147   4.525  1.00  3.19           O  
ATOM    480  CB  GLU A  29      15.730  -2.769   2.000  1.00  3.15           C  
ATOM    481  CG  GLU A  29      16.266  -3.270   0.670  1.00  3.91           C  
ATOM    482  CD  GLU A  29      16.732  -2.140  -0.220  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      17.928  -1.783  -0.167  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      15.898  -1.593  -0.974  1.00  4.51           O1-
ATOM    485  H   GLU A  29      13.919  -5.352   1.800  1.00  2.25           H  
ATOM    486  HA  GLU A  29      15.688  -4.643   3.040  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      15.047  -1.958   1.801  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      16.561  -2.395   2.580  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      17.101  -3.926   0.859  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      15.485  -3.816   0.161  1.00  4.26           H  
ATOM    491  N   LYS A  30      13.616  -3.969   4.806  1.00  1.95           N  
ATOM    492  CA  LYS A  30      13.055  -3.504   6.066  1.00  2.32           C  
ATOM    493  C   LYS A  30      12.750  -4.682   6.987  1.00  2.89           C  
ATOM    494  O   LYS A  30      11.598  -4.953   7.330  1.00  3.15           O  
ATOM    495  CB  LYS A  30      11.791  -2.671   5.811  1.00  2.23           C  
ATOM    496  CG  LYS A  30      10.749  -3.372   4.953  1.00  2.98           C  
ATOM    497  CD  LYS A  30       9.498  -2.525   4.798  1.00  3.35           C  
ATOM    498  CE  LYS A  30       8.437  -3.246   3.982  1.00  3.96           C  
ATOM    499  NZ  LYS A  30       7.191  -2.446   3.853  1.00  4.54           N1+
ATOM    500  H   LYS A  30      13.336  -4.842   4.451  1.00  1.83           H  
ATOM    501  HA  LYS A  30      13.796  -2.878   6.544  1.00  2.86           H  
ATOM    502  HB2 LYS A  30      11.336  -2.430   6.760  1.00  2.41           H  
ATOM    503  HB3 LYS A  30      12.072  -1.754   5.314  1.00  2.30           H  
ATOM    504  HG2 LYS A  30      11.168  -3.561   3.976  1.00  3.30           H  
ATOM    505  HG3 LYS A  30      10.484  -4.309   5.420  1.00  3.48           H  
ATOM    506  HD2 LYS A  30       9.100  -2.304   5.778  1.00  3.50           H  
ATOM    507  HD3 LYS A  30       9.761  -1.603   4.297  1.00  3.54           H  
ATOM    508  HE2 LYS A  30       8.831  -3.438   2.996  1.00  4.07           H  
ATOM    509  HE3 LYS A  30       8.206  -4.183   4.465  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30       6.826  -2.197   4.793  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30       6.465  -2.994   3.348  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30       7.382  -1.571   3.322  1.00  4.84           H  
HETATM  513  N   NH2 A  31      13.794  -5.374   7.401  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31      14.684  -5.100   7.086  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31      13.642  -6.130   8.004  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.757   4.492  -1.464  1.00  0.26          ZN  
ENDMDL                                                                          
MODEL        8                                                                  
ATOM      1  N   PRO A   1     -11.414  -0.136   4.277  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.364  -0.171   3.238  1.00  0.45           C  
ATOM      3  C   PRO A   1      -9.009   0.124   3.860  1.00  0.37           C  
ATOM      4  O   PRO A   1      -8.903   0.319   5.072  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -10.686   0.863   2.170  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -11.760   1.676   2.792  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -12.464   0.768   3.770  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -10.928   0.144   5.146  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -11.648  -1.142   4.449  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -10.345  -1.155   2.795  1.00  1.10           H  
ATOM     11  HB2 PRO A   1      -9.807   1.457   1.958  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -11.029   0.370   1.271  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -11.328   2.517   3.308  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -12.452   2.017   2.035  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -12.886   1.345   4.578  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -13.237   0.207   3.268  1.00  1.32           H  
ATOM     17  N   PHE A   2      -7.981   0.147   3.030  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -6.631   0.416   3.479  1.00  0.26           C  
ATOM     19  C   PHE A   2      -6.062   1.573   2.673  1.00  0.26           C  
ATOM     20  O   PHE A   2      -6.152   1.570   1.448  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -5.756  -0.828   3.302  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.359  -2.075   3.884  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -7.167  -2.897   3.113  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.129  -2.417   5.204  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -7.733  -4.034   3.652  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -6.689  -3.557   5.745  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -7.493  -4.365   4.968  1.00  0.35           C  
ATOM     28  H   PHE A   2      -8.136  -0.020   2.074  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -6.667   0.685   4.522  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -5.591  -0.997   2.249  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -4.806  -0.660   3.788  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -7.352  -2.643   2.080  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -5.500  -1.783   5.812  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -8.360  -4.666   3.041  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -6.501  -3.816   6.776  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -7.935  -5.252   5.389  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.488   2.586   3.328  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -5.948   8.635   2.124  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -6.325   7.369   2.861  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -5.385   6.244   2.471  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -5.783   4.926   3.114  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -4.966   3.741   2.596  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -5.366   2.535   4.798  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.482   3.974   2.828  1.00  0.39           C  
HETATM   45  O   9KK A   3      -3.035   4.208   3.955  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -6.627   9.427   2.399  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -4.939   8.917   2.387  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -6.009   8.462   1.060  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -6.253   7.550   3.924  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -7.337   7.100   2.598  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -5.400   6.128   1.397  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -4.385   6.499   2.791  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -5.638   5.012   4.181  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -6.829   4.747   2.913  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -5.137   3.630   1.535  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -6.336   2.684   5.245  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -4.979   1.572   5.093  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -4.692   3.312   5.128  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.728   3.919   1.750  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.309   4.185   1.798  1.00  0.30           C  
ATOM     61  C   CYS A   4      -1.071   5.654   2.118  1.00  0.67           C  
ATOM     62  O   CYS A   4      -1.087   6.504   1.229  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.655   3.820   0.468  1.00  0.29           C  
ATOM     64  SG  CYS A   4       1.125   4.102   0.447  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.147   3.706   0.886  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -0.883   3.577   2.583  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -0.829   2.774   0.260  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.096   4.417  -0.317  1.00  0.45           H  
ATOM     69  N   THR A   5      -0.854   5.945   3.387  1.00  0.40           N  
ATOM     70  CA  THR A   5      -0.684   7.310   3.842  1.00  0.47           C  
ATOM     71  C   THR A   5       0.802   7.675   3.869  1.00  0.41           C  
ATOM     72  O   THR A   5       1.311   8.228   4.844  1.00  0.54           O  
ATOM     73  CB  THR A   5      -1.309   7.484   5.240  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -2.531   6.729   5.309  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -1.609   8.947   5.533  1.00  1.47           C  
ATOM     76  H   THR A   5      -0.800   5.214   4.042  1.00  1.12           H  
ATOM     77  HA  THR A   5      -1.198   7.963   3.151  1.00  0.62           H  
ATOM     78  HB  THR A   5      -0.617   7.113   5.982  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -2.559   6.102   4.572  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -2.057   9.035   6.511  1.00  1.77           H  
ATOM     81 HG22 THR A   5      -2.293   9.331   4.789  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -0.691   9.516   5.506  1.00  1.94           H  
ATOM     83  N   TRP A   6       1.491   7.341   2.786  1.00  0.37           N  
ATOM     84  CA  TRP A   6       2.910   7.625   2.649  1.00  0.47           C  
ATOM     85  C   TRP A   6       3.100   9.088   2.271  1.00  0.61           C  
ATOM     86  O   TRP A   6       2.195   9.703   1.706  1.00  0.63           O  
ATOM     87  CB  TRP A   6       3.516   6.711   1.575  1.00  0.47           C  
ATOM     88  CG  TRP A   6       5.014   6.689   1.550  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       5.834   7.569   0.909  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       5.868   5.725   2.172  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       7.147   7.227   1.115  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       7.194   6.093   1.881  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       5.641   4.591   2.953  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       8.288   5.366   2.343  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       6.726   3.868   3.409  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       8.034   4.258   3.103  1.00  0.94           C  
ATOM     97  H   TRP A   6       1.026   6.898   2.049  1.00  0.38           H  
ATOM     98  HA  TRP A   6       3.390   7.434   3.596  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       3.176   5.703   1.737  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       3.177   7.044   0.607  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       5.485   8.418   0.339  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       7.926   7.710   0.760  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       4.640   4.273   3.198  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       9.303   5.654   2.117  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       6.569   2.987   4.012  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       8.850   3.662   3.480  1.00  1.05           H  
HETATM  107  N   AIB A   7       4.264   9.636   2.606  1.00  0.79           N  
HETATM  108  CA  AIB A   7       4.620  11.017   2.256  1.00  0.99           C  
HETATM  109  C   AIB A   7       4.435  11.229   0.742  1.00  0.94           C  
HETATM  110  O   AIB A   7       5.241  10.752  -0.063  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       6.067  11.274   2.627  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       3.768  11.992   3.048  1.00  1.13           C  
HETATM  113  H   AIB A   7       4.907   9.098   3.110  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       6.330  12.289   2.368  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       6.703  10.588   2.087  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       6.199  11.128   3.688  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       3.993  11.896   4.099  1.00  1.35           H  
HETATM  118 HB22 AIB A   7       2.725  11.770   2.884  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       3.976  13.001   2.724  1.00  1.63           H  
ATOM    120  N   GLY A   8       3.364  11.914   0.360  1.00  0.95           N  
ATOM    121  CA  GLY A   8       3.125  12.199  -1.041  1.00  0.93           C  
ATOM    122  C   GLY A   8       2.302  11.126  -1.721  1.00  0.76           C  
ATOM    123  O   GLY A   8       2.312  11.011  -2.947  1.00  0.83           O  
ATOM    124  H   GLY A   8       2.725  12.225   1.035  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       2.605  13.142  -1.121  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       4.077  12.278  -1.545  1.00  0.99           H  
ATOM    127  N   CYS A   9       1.592  10.335  -0.931  1.00  0.61           N  
ATOM    128  CA  CYS A   9       0.781   9.258  -1.467  1.00  0.55           C  
ATOM    129  C   CYS A   9      -0.545   9.160  -0.715  1.00  0.92           C  
ATOM    130  O   CYS A   9      -0.639   9.563   0.445  1.00  1.94           O  
ATOM    131  CB  CYS A   9       1.546   7.943  -1.355  1.00  0.42           C  
ATOM    132  SG  CYS A   9       0.875   6.606  -2.363  1.00  0.36           S  
ATOM    133  H   CYS A   9       1.619  10.473   0.043  1.00  0.60           H  
ATOM    134  HA  CYS A   9       0.586   9.471  -2.508  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       2.570   8.102  -1.657  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       1.526   7.619  -0.327  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.565   8.630  -1.380  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -2.857   8.457  -0.747  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.686   7.401  -1.446  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.909   7.518  -1.536  1.00  0.90           O  
ATOM    141  H   GLY A  10      -1.443   8.358  -2.313  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -2.707   8.165   0.282  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -3.389   9.395  -0.775  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.016   6.372  -1.943  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -3.675   5.314  -2.697  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.484   4.406  -1.769  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.009   4.038  -0.696  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -2.633   4.486  -3.455  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -1.906   5.251  -4.554  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -2.814   5.518  -5.745  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -2.072   6.205  -6.884  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -1.576   7.556  -6.501  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -2.052   6.315  -1.787  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.343   5.779  -3.405  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -1.896   4.128  -2.751  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.127   3.637  -3.904  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -1.565   6.195  -4.156  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -1.058   4.668  -4.881  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -3.204   4.577  -6.103  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -3.631   6.149  -5.429  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -1.231   5.593  -7.171  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -2.744   6.304  -7.724  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -2.367   8.151  -6.176  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -1.131   8.022  -7.319  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -0.876   7.479  -5.738  1.00  1.93           H  
HETATM  166  N   MMO A  12      -5.715   4.030  -2.160  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.549   3.169  -1.299  1.00  0.17           C  
HETATM  168  C   MMO A  12      -6.880   1.818  -1.932  1.00  0.14           C  
HETATM  169  O   MMO A  12      -7.149   1.714  -3.129  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -7.827   3.973  -1.051  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -7.601   5.258  -0.269  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -8.913   5.938   0.084  1.00  0.55           C  
HETATM  173  NE  MMO A  12      -9.696   6.288  -1.098  1.00  1.09           N  
HETATM  174  CZ  MMO A  12     -10.568   7.293  -1.142  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -10.771   8.050  -0.071  1.00  1.59           N  
HETATM  176  NH1 MMO A  12     -11.245   7.537  -2.255  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.227   4.475  -3.477  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -6.057   2.991  -0.354  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.518   3.358  -0.492  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.271   4.227  -2.001  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -7.004   5.932  -0.867  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -7.077   5.021   0.643  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12      -8.696   6.838   0.639  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.493   5.268   0.699  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -10.270   7.869   0.779  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -11.426   8.810  -0.106  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -11.902   8.295  -2.292  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -6.477   5.524  -3.432  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -7.109   3.904  -3.729  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -5.468   4.317  -4.229  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -9.570   5.737  -1.904  1.00  1.66           H  
HETATM  192 HH12 MMO A  12     -11.111   6.960  -3.064  1.00  3.06           H  
ATOM    193  N   PHE A  13      -6.859   0.782  -1.109  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -7.043  -0.586  -1.571  1.00  0.12           C  
ATOM    195  C   PHE A  13      -8.003  -1.332  -0.652  1.00  0.16           C  
ATOM    196  O   PHE A  13      -8.180  -0.956   0.506  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.687  -1.296  -1.607  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.694  -0.616  -2.505  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.599  -0.973  -3.840  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.849   0.365  -2.014  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.681  -0.365  -4.670  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -2.928   0.980  -2.840  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.873   0.668  -4.161  1.00  0.36           C  
ATOM    204  H   PHE A  13      -6.710   0.940  -0.152  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.456  -0.555  -2.567  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.272  -1.315  -0.611  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.820  -2.307  -1.958  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -5.250  -1.740  -4.229  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -3.917   0.651  -0.975  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.620  -0.655  -5.709  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.274   1.743  -2.448  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -2.165   1.169  -4.805  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.626  -2.380  -1.169  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.579  -3.161  -0.392  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.927  -4.435   0.154  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.562  -5.221   0.859  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.833  -3.517  -1.233  1.00  0.46           C  
ATOM    218  OG1 THR A  14     -11.799  -4.217  -0.436  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -10.464  -4.361  -2.445  1.00  0.93           C  
ATOM    220  H   THR A  14      -8.444  -2.633  -2.102  1.00  0.30           H  
ATOM    221  HA  THR A  14      -9.896  -2.552   0.444  1.00  0.34           H  
ATOM    222  HB  THR A  14     -11.278  -2.597  -1.582  1.00  1.25           H  
ATOM    223  HG1 THR A  14     -11.753  -3.902   0.477  1.00  1.99           H  
ATOM    224 HG21 THR A  14     -11.353  -4.580  -3.016  1.00  1.54           H  
ATOM    225 HG22 THR A  14     -10.012  -5.284  -2.116  1.00  1.62           H  
ATOM    226 HG23 THR A  14      -9.763  -3.818  -3.063  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.653  -4.632  -0.168  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.906  -5.777   0.336  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.574  -5.330   0.921  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.793  -4.640   0.261  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.659  -6.791  -0.778  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -7.924  -7.432  -1.319  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -7.615  -8.428  -2.421  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -8.830  -9.029  -2.967  1.00  1.27           N  
ATOM    235  CZ  ARG A  15      -8.888 -10.251  -3.490  1.00  1.98           C  
ATOM    236  NH1 ARG A  15      -7.798 -11.010  -3.534  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15     -10.035 -10.713  -3.968  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.205  -3.995  -0.763  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.493  -6.240   1.114  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -6.157  -6.294  -1.594  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -6.018  -7.572  -0.397  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.428  -7.947  -0.513  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -8.567  -6.661  -1.712  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -7.089  -7.919  -3.215  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -6.989  -9.209  -2.019  1.00  1.50           H  
ATOM    246  HE  ARG A  15      -9.651  -8.482  -2.946  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -6.928 -10.664  -3.173  1.00  2.52           H  
ATOM    248 HH12 ARG A  15      -7.839 -11.929  -3.936  1.00  3.13           H  
ATOM    249 HH21 ARG A  15     -10.862 -10.144  -3.936  1.00  2.68           H  
ATOM    250 HH22 ARG A  15     -10.088 -11.641  -4.353  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.326  -5.741   2.163  1.00  0.15           N  
ATOM    252  CA  SER A  16      -4.104  -5.389   2.876  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.883  -5.941   2.155  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.847  -5.283   2.073  1.00  0.17           O  
ATOM    255  CB  SER A  16      -4.170  -5.915   4.311  1.00  0.24           C  
ATOM    256  OG  SER A  16      -4.559  -7.279   4.334  1.00  1.27           O  
ATOM    257  H   SER A  16      -5.989  -6.304   2.617  1.00  0.17           H  
ATOM    258  HA  SER A  16      -4.032  -4.313   2.897  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -3.196  -5.824   4.770  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -4.889  -5.338   4.872  1.00  1.05           H  
ATOM    261  HG  SER A  16      -5.464  -7.347   4.670  1.00  1.61           H  
HETATM  262  OE1 B3D A  17      -2.361 -11.196   0.637  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -2.639 -10.187   1.321  1.00  1.42           C  
HETATM  264  OE2 B3D A  17      -3.764 -10.021   1.837  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.568  -9.126   1.532  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -1.931  -7.763   0.905  1.00  0.19           C  
HETATM  267  N   B3D A  17      -3.005  -7.156   1.642  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.356  -8.029  -0.537  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.928  -6.954  -1.499  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.743  -6.792  -1.794  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -0.652  -9.478   1.088  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -1.420  -8.998   2.594  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -1.093  -7.042   0.929  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.839  -7.657   1.782  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.925  -8.963  -0.860  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.433  -8.104  -0.576  1.00  0.15           H  
ATOM    277  N   GLU A  18      -2.912  -6.195  -1.973  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.684  -5.144  -2.952  1.00  0.21           C  
ATOM    279  C   GLU A  18      -2.073  -3.911  -2.305  1.00  0.15           C  
ATOM    280  O   GLU A  18      -1.284  -3.205  -2.929  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -3.999  -4.775  -3.638  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -4.619  -5.921  -4.419  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -3.799  -6.311  -5.631  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -2.767  -6.993  -5.464  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -4.189  -5.948  -6.759  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.822  -6.351  -1.654  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -1.997  -5.525  -3.691  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.705  -4.455  -2.887  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -3.818  -3.958  -4.322  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -4.703  -6.778  -3.769  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -5.604  -5.625  -4.749  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.444  -3.650  -1.058  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.894  -2.522  -0.325  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.398  -2.721  -0.111  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.404  -1.859  -0.456  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.638  -2.354   1.013  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -2.193  -1.195   1.926  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -0.943  -1.558   2.713  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -1.966   0.084   1.127  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.114  -4.223  -0.621  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -2.044  -1.638  -0.925  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.686  -2.220   0.794  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.527  -3.274   1.568  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -2.980  -1.000   2.638  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -1.158  -2.397   3.357  1.00  1.31           H  
ATOM    306 HD12 LEU A  19      -0.635  -0.716   3.309  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -0.150  -1.825   2.029  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -1.610   0.859   1.786  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -2.895   0.396   0.679  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -1.233  -0.096   0.353  1.00  1.36           H  
ATOM    311  N   GLN A  20      -0.030  -3.864   0.451  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.369  -4.157   0.737  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.157  -4.398  -0.547  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.236  -3.830  -0.743  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.485  -5.366   1.667  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.906  -5.645   2.138  1.00  0.37           C  
ATOM    317  CD  GLN A  20       3.562  -4.438   2.784  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       3.436  -4.218   3.988  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       4.267  -3.645   1.991  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.720  -4.518   0.700  1.00  0.16           H  
ATOM    321  HA  GLN A  20       1.785  -3.296   1.237  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       0.866  -5.198   2.535  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.125  -6.240   1.146  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       2.879  -6.448   2.859  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.501  -5.947   1.287  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       4.328  -3.874   1.037  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       4.706  -2.865   2.389  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.622  -5.232  -1.427  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.288  -5.524  -2.668  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.291  -7.043  -2.878  1.00  0.29           C  
HETATM  331  CG  HMR A  21       2.780  -7.827  -1.672  1.00  0.51           C  
HETATM  332  CD  HMR A  21       2.579  -9.320  -1.858  1.00  0.94           C  
HETATM  333  NE  HMR A  21       1.184  -9.658  -2.142  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       0.677 -10.882  -2.016  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       1.446 -11.884  -1.613  1.00  1.94           N  
HETATM  336  NH2 HMR A  21      -0.600 -11.109  -2.304  1.00  3.01           N  
HETATM  337  C   HMR A  21       2.009  -3.549  -4.231  1.00  0.17           C  
HETATM  338  O   HMR A  21       2.975  -3.378  -4.977  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.539  -4.926  -3.856  1.00  0.16           C  
HETATM  340  H   HMR A  21       0.753  -5.651  -1.235  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.306  -5.093  -2.591  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       2.929  -7.277  -3.716  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.286  -7.362  -3.102  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       2.228  -7.506  -0.802  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       3.831  -7.631  -1.529  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       2.885  -9.827  -0.955  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       3.193  -9.653  -2.681  1.00  1.23           H  
HETATM  348  HE  HMR A  21       0.595  -8.928  -2.439  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       2.412 -11.724  -1.396  1.00  1.68           H  
HETATM  350 HH21 HMR A  21      -0.979 -12.033  -2.209  1.00  3.31           H  
HETATM  351 HH22 HMR A  21      -1.192 -10.359  -2.613  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.672  -5.570  -4.711  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.487  -4.868  -3.615  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       1.064 -12.809  -1.520  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.312  -2.558  -3.698  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.604  -1.165  -3.966  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.757  -0.656  -3.102  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.735  -0.129  -3.633  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.344  -0.319  -3.737  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.621   1.146  -3.611  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.609   2.047  -4.671  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       0.982   1.857  -2.516  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       0.974   3.247  -4.188  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       1.202   3.153  -2.904  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.561  -2.777  -3.102  1.00  0.18           H  
ATOM    366  HA  HIS A  22       1.889  -1.084  -5.003  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.330  -0.460  -4.566  1.00  0.25           H  
ATOM    368  HB3 HIS A  22      -0.138  -0.648  -2.827  1.00  0.25           H  
ATOM    369  HD1 HIS A  22       0.372   1.844  -5.603  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.069   1.483  -1.508  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       1.058   4.152  -4.772  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.624  -0.810  -1.779  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.587  -0.258  -0.819  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.007  -0.614  -1.232  1.00  0.17           C  
ATOM    375  O   LYS A  23       5.904   0.231  -1.217  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.295  -0.778   0.594  1.00  0.27           C  
ATOM    377  CG  LYS A  23       4.133  -0.124   1.686  1.00  0.73           C  
ATOM    378  CD  LYS A  23       3.618   1.264   2.057  1.00  0.61           C  
ATOM    379  CE  LYS A  23       2.236   1.204   2.701  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       1.827   2.518   3.268  1.00  1.01           N1+
ATOM    381  H   LYS A  23       1.852  -1.314  -1.436  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.484   0.815  -0.828  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       2.254  -0.602   0.818  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       3.482  -1.843   0.618  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       4.111  -0.748   2.567  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       5.151  -0.034   1.334  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       4.308   1.721   2.752  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       3.561   1.866   1.162  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       1.514   0.906   1.954  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       2.254   0.470   3.493  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       1.820   3.246   2.525  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       2.491   2.808   4.018  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       0.873   2.451   3.680  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.198  -1.863  -1.622  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.482  -2.308  -2.075  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.682  -3.768  -1.636  1.00  0.30           C  
HETATM  397  CG  HMR A  24       8.038  -4.349  -1.994  1.00  0.34           C  
HETATM  398  CD  HMR A  24       8.157  -5.789  -1.527  1.00  0.50           C  
HETATM  399  NE  HMR A  24       9.472  -6.353  -1.818  1.00  0.95           N  
HETATM  400  CZ  HMR A  24       9.840  -7.596  -1.511  1.00  1.35           C  
HETATM  401  NH1 HMR A  24      11.059  -8.018  -1.817  1.00  1.85           N  
HETATM  402  NH2 HMR A  24       8.992  -8.419  -0.906  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.266  -1.059  -4.152  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.475  -1.098  -4.396  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.537  -2.263  -3.604  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.444  -2.496  -1.603  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.229  -1.621  -1.642  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       5.921  -4.376  -2.103  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       6.566  -3.824  -0.565  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       8.810  -3.760  -1.524  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       8.160  -4.320  -3.065  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.402  -6.380  -2.026  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       7.991  -5.821  -0.460  1.00  0.77           H  
HETATM  414  HE  HMR A  24      10.119  -5.767  -2.276  1.00  1.18           H  
HETATM  415  HH1 HMR A  24      11.704  -7.405  -2.278  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       8.066  -8.113  -0.672  1.00  1.35           H  
HETATM  417 HH22 HMR A  24       9.275  -9.355  -0.676  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       7.034  -3.149  -3.960  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.528  -2.248  -3.988  1.00  0.23           H  
HETATM  420  HH2 HMR A  24      11.341  -8.955  -1.588  1.00  2.15           H  
ATOM    421  N   THR A  25       6.519   0.027  -4.331  1.00  0.16           N  
ATOM    422  CA  THR A  25       7.040   1.230  -4.966  1.00  0.23           C  
ATOM    423  C   THR A  25       7.794   2.120  -3.974  1.00  0.22           C  
ATOM    424  O   THR A  25       8.718   2.839  -4.356  1.00  0.34           O  
ATOM    425  CB  THR A  25       5.910   2.040  -5.651  1.00  0.34           C  
ATOM    426  OG1 THR A  25       6.459   3.124  -6.413  1.00  1.33           O  
ATOM    427  CG2 THR A  25       4.916   2.596  -4.638  1.00  1.09           C  
ATOM    428  H   THR A  25       5.582   0.012  -4.028  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.730   0.917  -5.732  1.00  0.30           H  
ATOM    430  HB  THR A  25       5.380   1.380  -6.321  1.00  0.94           H  
ATOM    431  HG1 THR A  25       6.993   2.772  -7.140  1.00  1.98           H  
ATOM    432 HG21 THR A  25       4.437   1.780  -4.118  1.00  1.66           H  
ATOM    433 HG22 THR A  25       4.170   3.183  -5.151  1.00  1.47           H  
ATOM    434 HG23 THR A  25       5.438   3.220  -3.926  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.414   2.075  -2.702  1.00  0.20           N  
ATOM    436  CA  HIS A  26       8.082   2.891  -1.694  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.105   2.052  -0.946  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.250   2.467  -0.746  1.00  0.38           O  
ATOM    439  CB  HIS A  26       7.101   3.465  -0.665  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.871   4.114  -1.218  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.846   5.306  -1.943  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.582   3.742  -1.066  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.553   5.609  -2.185  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.784   4.686  -1.668  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.683   1.473  -2.433  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.588   3.701  -2.196  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.774   2.665  -0.018  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.620   4.201  -0.067  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.629   5.833  -2.222  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       4.228   2.857  -0.563  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.207   6.483  -2.716  1.00  0.37           H  
HETATM  452  CG  B3T A  27       8.761  -0.690   1.371  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       7.601  -1.360   0.870  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       8.347   0.349   2.400  1.00  0.76           C  
HETATM  455  CA  B3T A  27       9.532  -0.038   0.217  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.676   0.871  -0.529  1.00  0.36           N  
HETATM  457  CB  B3T A  27      10.125  -1.098  -0.714  1.00  0.62           C  
HETATM  458  C   B3T A  27      11.534  -1.495  -0.316  1.00  0.82           C  
HETATM  459  O   B3T A  27      12.279  -0.700   0.262  1.00  1.03           O  
HETATM  460  HG  B3T A  27       9.406  -1.412   1.849  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       7.696  -2.313   1.010  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27       9.226   0.832   2.797  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27       7.807  -0.132   3.200  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27       7.714   1.086   1.928  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.329   0.533   0.652  1.00  0.52           H  
HETATM  466  H   B3T A  27       7.751   0.600  -0.724  1.00  0.39           H  
HETATM  467  HB1 B3T A  27      10.151  -0.708  -1.721  1.00  0.63           H  
HETATM  468  HB2 B3T A  27       9.499  -1.976  -0.688  1.00  0.70           H  
ATOM    469  N   GLY A  28      11.904  -2.730  -0.622  1.00  1.30           N  
ATOM    470  CA  GLY A  28      13.206  -3.228  -0.235  1.00  1.53           C  
ATOM    471  C   GLY A  28      13.145  -4.014   1.057  1.00  1.68           C  
ATOM    472  O   GLY A  28      13.081  -5.244   1.041  1.00  2.18           O  
ATOM    473  H   GLY A  28      11.290  -3.310  -1.118  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      13.584  -3.868  -1.017  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      13.878  -2.394  -0.107  1.00  1.58           H  
ATOM    476  N   GLU A  29      13.142  -3.305   2.176  1.00  1.96           N  
ATOM    477  CA  GLU A  29      13.098  -3.941   3.484  1.00  2.41           C  
ATOM    478  C   GLU A  29      11.711  -4.511   3.754  1.00  2.39           C  
ATOM    479  O   GLU A  29      11.566  -5.676   4.135  1.00  3.19           O  
ATOM    480  CB  GLU A  29      13.479  -2.952   4.595  1.00  3.15           C  
ATOM    481  CG  GLU A  29      14.886  -2.379   4.477  1.00  3.91           C  
ATOM    482  CD  GLU A  29      14.989  -1.228   3.494  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      14.791  -0.067   3.909  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      15.284  -1.474   2.306  1.00  4.51           O1-
ATOM    485  H   GLU A  29      13.173  -2.325   2.121  1.00  2.25           H  
ATOM    486  HA  GLU A  29      13.810  -4.753   3.477  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      12.780  -2.131   4.582  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      13.400  -3.455   5.547  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      15.194  -2.025   5.448  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      15.552  -3.166   4.156  1.00  4.26           H  
ATOM    491  N   LYS A  30      10.691  -3.689   3.556  1.00  1.95           N  
ATOM    492  CA  LYS A  30       9.317  -4.117   3.767  1.00  2.32           C  
ATOM    493  C   LYS A  30       8.729  -4.651   2.468  1.00  2.89           C  
ATOM    494  O   LYS A  30       8.217  -3.897   1.640  1.00  3.15           O  
ATOM    495  CB  LYS A  30       8.465  -2.960   4.303  1.00  2.23           C  
ATOM    496  CG  LYS A  30       7.021  -3.344   4.596  1.00  2.98           C  
ATOM    497  CD  LYS A  30       6.168  -2.126   4.923  1.00  3.35           C  
ATOM    498  CE  LYS A  30       6.620  -1.438   6.205  1.00  3.96           C  
ATOM    499  NZ  LYS A  30       6.432  -2.304   7.399  1.00  4.54           N1+
ATOM    500  H   LYS A  30      10.867  -2.772   3.249  1.00  1.83           H  
ATOM    501  HA  LYS A  30       9.328  -4.916   4.498  1.00  2.86           H  
ATOM    502  HB2 LYS A  30       8.908  -2.594   5.218  1.00  2.41           H  
ATOM    503  HB3 LYS A  30       8.460  -2.163   3.576  1.00  2.30           H  
ATOM    504  HG2 LYS A  30       6.607  -3.835   3.727  1.00  3.30           H  
ATOM    505  HG3 LYS A  30       7.003  -4.022   5.437  1.00  3.48           H  
ATOM    506  HD2 LYS A  30       6.240  -1.422   4.107  1.00  3.50           H  
ATOM    507  HD3 LYS A  30       5.140  -2.441   5.038  1.00  3.54           H  
ATOM    508  HE2 LYS A  30       7.666  -1.190   6.115  1.00  4.07           H  
ATOM    509  HE3 LYS A  30       6.047  -0.533   6.333  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30       7.039  -3.146   7.333  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30       5.442  -2.610   7.469  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30       6.680  -1.781   8.262  1.00  4.84           H  
HETATM  513  N   NH2 A  31       8.814  -5.955   2.285  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31       9.236  -6.494   2.988  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31       8.447  -6.331   1.458  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.792   4.613  -1.689  1.00  0.26          ZN  
ENDMDL                                                                          
MODEL        9                                                                  
ATOM      1  N   PRO A   1     -11.089   0.860   2.289  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.700   0.334   3.615  1.00  0.45           C  
ATOM      3  C   PRO A   1      -9.238   0.641   3.924  1.00  0.37           C  
ATOM      4  O   PRO A   1      -8.936   1.359   4.874  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -10.938  -1.170   3.639  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -11.327  -1.488   2.239  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -11.878  -0.210   1.652  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -10.207   1.135   1.824  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -11.548   1.778   2.495  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -11.322   0.804   4.362  1.00  1.10           H  
ATOM     11  HB2 PRO A   1     -10.029  -1.678   3.928  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -11.732  -1.408   4.332  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -10.463  -1.814   1.682  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -12.086  -2.255   2.238  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -11.741  -0.200   0.581  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -12.924  -0.107   1.896  1.00  1.32           H  
ATOM     17  N   PHE A   2      -8.333   0.101   3.116  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -6.908   0.286   3.348  1.00  0.26           C  
ATOM     19  C   PHE A   2      -6.410   1.511   2.589  1.00  0.26           C  
ATOM     20  O   PHE A   2      -6.890   1.796   1.497  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -6.132  -0.962   2.915  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.566  -2.208   3.636  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -7.447  -3.100   3.045  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.098  -2.482   4.911  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -7.853  -4.240   3.711  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -6.499  -3.623   5.580  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -7.377  -4.502   4.979  1.00  0.35           C  
ATOM     28  H   PHE A   2      -8.626  -0.420   2.333  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -6.760   0.444   4.405  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -6.276  -1.120   1.857  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -5.080  -0.813   3.112  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -7.818  -2.900   2.051  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -5.413  -1.794   5.381  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -8.540  -4.926   3.240  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -6.126  -3.828   6.573  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -7.692  -5.394   5.501  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.465   2.273   3.158  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -6.082   8.343   2.145  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -6.393   7.047   2.863  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -5.476   5.943   2.365  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -5.804   4.604   3.006  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -4.948   3.460   2.466  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -4.952   1.927   4.498  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.471   3.747   2.727  1.00  0.39           C  
HETATM   45  O   9KK A   3      -3.052   4.013   3.859  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -6.221   8.210   1.083  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -6.746   9.118   2.499  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -5.058   8.629   2.341  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -6.242   7.191   3.923  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -7.420   6.779   2.667  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -5.581   5.852   1.294  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -4.454   6.202   2.606  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -5.642   4.687   4.071  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -6.844   4.379   2.823  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -5.102   3.380   1.400  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -4.051   2.489   4.692  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -5.695   2.171   5.243  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -4.733   0.870   4.538  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.690   3.719   1.662  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.290   4.074   1.741  1.00  0.30           C  
ATOM     61  C   CYS A   4      -1.155   5.556   2.051  1.00  0.67           C  
ATOM     62  O   CYS A   4      -1.367   6.401   1.183  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.567   3.758   0.431  1.00  0.29           C  
ATOM     64  SG  CYS A   4       1.153   4.307   0.428  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.078   3.476   0.794  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -0.844   3.504   2.540  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -0.577   2.690   0.266  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.075   4.250  -0.383  1.00  0.45           H  
ATOM     69  N   THR A   5      -0.814   5.869   3.288  1.00  0.40           N  
ATOM     70  CA  THR A   5      -0.681   7.249   3.708  1.00  0.47           C  
ATOM     71  C   THR A   5       0.797   7.637   3.769  1.00  0.41           C  
ATOM     72  O   THR A   5       1.234   8.360   4.664  1.00  0.54           O  
ATOM     73  CB  THR A   5      -1.359   7.471   5.076  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -2.559   6.683   5.143  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -1.713   8.939   5.278  1.00  1.47           C  
ATOM     76  H   THR A   5      -0.641   5.153   3.937  1.00  1.12           H  
ATOM     77  HA  THR A   5      -1.178   7.869   2.975  1.00  0.62           H  
ATOM     78  HB  THR A   5      -0.683   7.161   5.859  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -2.632   6.149   4.343  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -2.392   9.256   4.500  1.00  1.77           H  
ATOM     81 HG22 THR A   5      -0.813   9.535   5.236  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -2.184   9.065   6.242  1.00  1.94           H  
ATOM     83  N   TRP A   6       1.566   7.128   2.810  1.00  0.37           N  
ATOM     84  CA  TRP A   6       2.976   7.464   2.695  1.00  0.47           C  
ATOM     85  C   TRP A   6       3.119   8.948   2.384  1.00  0.61           C  
ATOM     86  O   TRP A   6       2.246   9.536   1.748  1.00  0.63           O  
ATOM     87  CB  TRP A   6       3.626   6.619   1.592  1.00  0.47           C  
ATOM     88  CG  TRP A   6       5.116   6.755   1.505  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       5.814   7.707   0.822  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       6.093   5.899   2.108  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       7.162   7.506   0.971  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       7.360   6.399   1.754  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       6.019   4.760   2.914  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       8.542   5.800   2.181  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       7.193   4.166   3.334  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       8.439   4.686   2.967  1.00  0.94           C  
ATOM     97  H   TRP A   6       1.171   6.516   2.159  1.00  0.38           H  
ATOM     98  HA  TRP A   6       3.454   7.252   3.639  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       3.400   5.579   1.765  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       3.213   6.914   0.642  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       5.355   8.504   0.256  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       7.869   8.062   0.578  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       5.069   4.344   3.206  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       9.511   6.189   1.908  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       7.157   3.285   3.955  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       9.330   4.188   3.319  1.00  1.05           H  
HETATM  107  N   AIB A   7       4.209   9.539   2.854  1.00  0.79           N  
HETATM  108  CA  AIB A   7       4.497  10.960   2.635  1.00  0.99           C  
HETATM  109  C   AIB A   7       4.479  11.268   1.127  1.00  0.94           C  
HETATM  110  O   AIB A   7       5.346  10.805   0.386  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       5.866  11.281   3.199  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       3.487  11.819   3.378  1.00  1.13           C  
HETATM  113  H   AIB A   7       4.848   9.002   3.365  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       6.610  10.676   2.701  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       5.880  11.068   4.258  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       6.087  12.325   3.039  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       2.491  11.585   3.031  1.00  1.35           H  
HETATM  118 HB22 AIB A   7       3.697  12.864   3.198  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       3.555  11.617   4.437  1.00  1.63           H  
ATOM    120  N   GLY A   8       3.489  12.035   0.679  1.00  0.95           N  
ATOM    121  CA  GLY A   8       3.405  12.398  -0.722  1.00  0.93           C  
ATOM    122  C   GLY A   8       2.509  11.466  -1.514  1.00  0.76           C  
ATOM    123  O   GLY A   8       2.301  11.658  -2.714  1.00  0.83           O  
ATOM    124  H   GLY A   8       2.809  12.359   1.306  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       3.017  13.403  -0.799  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       4.398  12.372  -1.146  1.00  0.99           H  
ATOM    127  N   CYS A   9       1.978  10.458  -0.845  1.00  0.61           N  
ATOM    128  CA  CYS A   9       1.122   9.475  -1.481  1.00  0.55           C  
ATOM    129  C   CYS A   9      -0.278   9.544  -0.874  1.00  0.92           C  
ATOM    130  O   CYS A   9      -0.586  10.469  -0.123  1.00  1.94           O  
ATOM    131  CB  CYS A   9       1.722   8.082  -1.292  1.00  0.42           C  
ATOM    132  SG  CYS A   9       1.049   6.808  -2.385  1.00  0.36           S  
ATOM    133  H   CYS A   9       2.168  10.370   0.114  1.00  0.60           H  
ATOM    134  HA  CYS A   9       1.068   9.704  -2.534  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       2.785   8.130  -1.464  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       1.543   7.765  -0.275  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.113   8.569  -1.202  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -2.478   8.553  -0.711  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.377   7.686  -1.566  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.340   8.169  -2.159  1.00  0.90           O  
ATOM    141  H   GLY A  10      -0.796   7.845  -1.784  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -2.483   8.176   0.301  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -2.863   9.563  -0.710  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.061   6.399  -1.633  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -3.793   5.469  -2.487  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.646   4.527  -1.637  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.231   4.129  -0.552  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -2.810   4.657  -3.339  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -1.893   5.503  -4.211  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -2.672   6.301  -5.243  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -1.748   7.073  -6.171  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -2.507   7.856  -7.181  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -2.330   6.060  -1.079  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.437   6.044  -3.132  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -2.194   4.063  -2.680  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.372   3.994  -3.981  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -1.347   6.189  -3.581  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -1.199   4.851  -4.721  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -3.269   5.622  -5.831  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -3.316   7.000  -4.732  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -1.147   7.751  -5.582  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -1.104   6.374  -6.683  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -3.104   7.222  -7.748  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -1.852   8.356  -7.814  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -3.116   8.556  -6.707  1.00  1.93           H  
HETATM  166  N   MMO A  12      -5.847   4.150  -2.108  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.723   3.261  -1.318  1.00  0.17           C  
HETATM  168  C   MMO A  12      -6.910   1.877  -1.947  1.00  0.14           C  
HETATM  169  O   MMO A  12      -6.937   1.724  -3.173  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -8.051   4.014  -1.227  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -7.978   5.266  -0.368  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -9.303   6.003  -0.341  1.00  0.55           C  
HETATM  173  NE  MMO A  12      -9.250   7.194   0.505  1.00  1.09           N  
HETATM  174  CZ  MMO A  12      -9.990   8.283   0.305  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -10.819   8.350  -0.732  1.00  1.59           N  
HETATM  176  NH1 MMO A  12      -9.897   9.311   1.142  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.290   4.625  -3.439  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -6.325   3.130  -0.322  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.791   3.358  -0.799  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.364   4.297  -2.220  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -7.216   5.922  -0.765  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -7.717   4.981   0.641  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12     -10.061   5.336   0.040  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.557   6.298  -1.347  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -10.891   7.579  -1.371  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -11.374   9.173  -0.882  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -10.454  10.136   0.995  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -7.072   3.980  -3.810  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -5.455   4.606  -4.123  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -6.665   5.634  -3.357  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -8.637   7.172   1.271  1.00  1.66           H  
HETATM  192 HH12 MMO A  12      -9.271   9.273   1.926  1.00  3.06           H  
ATOM    193  N   PHE A  13      -7.037   0.868  -1.093  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -7.049  -0.523  -1.522  1.00  0.12           C  
ATOM    195  C   PHE A  13      -8.057  -1.338  -0.721  1.00  0.16           C  
ATOM    196  O   PHE A  13      -8.454  -0.958   0.388  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.653  -1.123  -1.350  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.597  -0.361  -2.087  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.405  -0.553  -3.442  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.811   0.564  -1.424  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.446   0.166  -4.124  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -2.850   1.282  -2.099  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.668   1.085  -3.452  1.00  0.36           C  
ATOM    204  H   PHE A  13      -7.134   1.068  -0.135  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.321  -0.552  -2.565  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.393  -1.123  -0.303  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.655  -2.137  -1.718  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -5.015  -1.273  -3.967  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -3.957   0.720  -0.367  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.303   0.009  -5.181  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.243   2.000  -1.570  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -1.917   1.650  -3.984  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.450  -2.469  -1.293  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.454  -3.336  -0.700  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.801  -4.454   0.112  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.375  -4.946   1.086  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.353  -3.947  -1.797  1.00  0.46           C  
ATOM    218  OG1 THR A  14     -10.883  -2.901  -2.627  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -11.501  -4.745  -1.195  1.00  0.93           C  
ATOM    220  H   THR A  14      -8.043  -2.736  -2.150  1.00  0.30           H  
ATOM    221  HA  THR A  14     -10.070  -2.741  -0.045  1.00  0.34           H  
ATOM    222  HB  THR A  14      -9.754  -4.610  -2.405  1.00  1.25           H  
ATOM    223  HG1 THR A  14     -10.389  -2.876  -3.458  1.00  1.99           H  
ATOM    224 HG21 THR A  14     -12.118  -5.144  -1.986  1.00  1.54           H  
ATOM    225 HG22 THR A  14     -12.096  -4.101  -0.564  1.00  1.62           H  
ATOM    226 HG23 THR A  14     -11.102  -5.556  -0.604  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.601  -4.851  -0.286  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.881  -5.906   0.414  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.563  -5.379   0.976  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.844  -4.624   0.312  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.607  -7.072  -0.534  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -7.853  -7.659  -1.184  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -8.767  -8.343  -0.177  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -9.908  -8.978  -0.834  1.00  1.27           N  
ATOM    235  CZ  ARG A  15     -10.666  -9.925  -0.281  1.00  1.98           C  
ATOM    236  NH1 ARG A  15     -10.432 -10.337   0.959  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15     -11.668 -10.456  -0.970  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.191  -4.432  -1.077  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.499  -6.246   1.231  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -5.948  -6.731  -1.315  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -6.113  -7.857   0.019  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.403  -6.862  -1.663  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -7.549  -8.381  -1.928  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -8.203  -9.095   0.355  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -9.131  -7.607   0.523  1.00  1.50           H  
ATOM    246  HE  ARG A  15     -10.114  -8.684  -1.751  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -9.681  -9.939   1.490  1.00  2.52           H  
ATOM    248 HH12 ARG A  15     -11.005 -11.054   1.370  1.00  3.13           H  
ATOM    249 HH21 ARG A  15     -11.856 -10.148  -1.908  1.00  2.68           H  
ATOM    250 HH22 ARG A  15     -12.245 -11.166  -0.558  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.253  -5.796   2.202  1.00  0.15           N  
ATOM    252  CA  SER A  16      -4.041  -5.364   2.887  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.808  -5.912   2.181  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.743  -5.306   2.218  1.00  0.17           O  
ATOM    255  CB  SER A  16      -4.059  -5.815   4.352  1.00  0.24           C  
ATOM    256  OG  SER A  16      -2.996  -5.226   5.093  1.00  1.27           O  
ATOM    257  H   SER A  16      -5.860  -6.419   2.658  1.00  0.17           H  
ATOM    258  HA  SER A  16      -4.007  -4.285   2.850  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -4.995  -5.525   4.804  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -3.957  -6.888   4.395  1.00  1.05           H  
ATOM    261  HG  SER A  16      -3.137  -4.272   5.152  1.00  1.61           H  
HETATM  262  OE1 B3D A  17      -0.732 -10.694  -0.096  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -0.420  -9.760   0.674  1.00  1.42           C  
HETATM  264  OE2 B3D A  17       0.767  -9.417   0.857  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.526  -9.029   1.425  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -1.877  -7.658   0.809  1.00  0.19           C  
HETATM  267  N   B3D A  17      -2.959  -7.062   1.541  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.283  -7.898  -0.647  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.946  -6.748  -1.553  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.784  -6.534  -1.913  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -1.202  -8.882   2.444  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -2.408  -9.651   1.424  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -1.041  -6.934   0.859  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.830  -7.516   1.566  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.775  -8.778  -1.011  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.350  -8.061  -0.693  1.00  0.15           H  
ATOM    277  N   GLU A  18      -2.976  -5.985  -1.908  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.828  -4.826  -2.776  1.00  0.21           C  
ATOM    279  C   GLU A  18      -2.036  -3.735  -2.076  1.00  0.15           C  
ATOM    280  O   GLU A  18      -1.136  -3.139  -2.660  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -4.199  -4.275  -3.159  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -5.121  -5.283  -3.820  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -6.493  -4.701  -4.080  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -7.151  -4.266  -3.109  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -6.919  -4.663  -5.253  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.867  -6.210  -1.574  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -2.304  -5.134  -3.667  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.684  -3.917  -2.265  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -4.060  -3.446  -3.838  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -4.688  -5.590  -4.760  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -5.226  -6.140  -3.174  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.387  -3.475  -0.820  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.720  -2.443  -0.038  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.235  -2.762   0.103  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.613  -1.948  -0.255  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.405  -2.311   1.336  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -1.900  -1.194   2.270  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -0.605  -1.585   2.967  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -1.718   0.113   1.513  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.119  -3.989  -0.409  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -1.825  -1.512  -0.573  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.457  -2.149   1.164  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.291  -3.253   1.853  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -2.643  -1.029   3.035  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -0.285  -0.777   3.607  1.00  1.31           H  
ATOM    306 HD12 LEU A  19       0.156  -1.783   2.226  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -0.770  -2.472   3.561  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -2.663   0.421   1.097  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -1.000  -0.023   0.716  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -1.360   0.873   2.191  1.00  1.36           H  
ATOM    311  N   GLN A  20       0.066  -3.953   0.612  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.447  -4.368   0.831  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.215  -4.408  -0.485  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.238  -3.741  -0.629  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.506  -5.732   1.524  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.898  -6.101   2.014  1.00  0.37           C  
ATOM    317  CD  GLN A  20       3.461  -5.094   3.007  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       4.671  -4.882   3.072  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       2.592  -4.479   3.796  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.662  -4.562   0.861  1.00  0.16           H  
ATOM    321  HA  GLN A  20       1.908  -3.634   1.473  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       0.838  -5.721   2.371  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.179  -6.490   0.829  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       2.854  -7.068   2.494  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.562  -6.152   1.164  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       1.640  -4.704   3.708  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       2.936  -3.816   4.434  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.731  -5.180  -1.450  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.399  -5.253  -2.725  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.781  -6.699  -3.046  1.00  0.29           C  
HETATM  331  CG  HMR A  21       3.648  -7.349  -1.985  1.00  0.51           C  
HETATM  332  CD  HMR A  21       4.324  -8.599  -2.513  1.00  0.94           C  
HETATM  333  NE  HMR A  21       5.274  -8.292  -3.581  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       6.387  -8.985  -3.809  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       6.692 -10.026  -3.042  1.00  1.94           N  
HETATM  336  NH2 HMR A  21       7.193  -8.633  -4.804  1.00  3.01           N  
HETATM  337  C   HMR A  21       1.896  -3.394  -4.336  1.00  0.17           C  
HETATM  338  O   HMR A  21       2.685  -3.238  -5.269  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.502  -4.760  -3.854  1.00  0.16           C  
HETATM  340  H   HMR A  21       0.907  -5.701  -1.297  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.285  -4.599  -2.647  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       3.315  -6.722  -3.983  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.878  -7.280  -3.143  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       3.028  -7.613  -1.141  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       4.405  -6.646  -1.672  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       3.569  -9.267  -2.899  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       4.849  -9.081  -1.703  1.00  1.23           H  
HETATM  348  HE  HMR A  21       5.072  -7.518  -4.157  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       6.084 -10.292  -2.288  1.00  1.68           H  
HETATM  350 HH21 HMR A  21       8.033  -9.152  -4.981  1.00  3.31           H  
HETATM  351 HH22 HMR A  21       6.964  -7.844  -5.385  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.570  -5.448  -4.681  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.479  -4.718  -3.504  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       7.530 -10.550  -3.209  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.326  -2.397  -3.685  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.632  -1.012  -3.962  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.792  -0.530  -3.087  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.773   0.015  -3.602  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.379  -0.160  -3.732  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.651   1.305  -3.613  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.569   2.215  -4.661  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       1.055   2.010  -2.531  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       0.935   3.419  -4.183  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       1.228   3.314  -2.914  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.654  -2.605  -2.996  1.00  0.18           H  
ATOM    366  HA  HIS A  22       1.923  -0.936  -4.996  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.299  -0.304  -4.557  1.00  0.25           H  
ATOM    368  HB3 HIS A  22      -0.101  -0.484  -2.818  1.00  0.25           H  
ATOM    369  HD1 HIS A  22       0.300   2.015  -5.585  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.203   1.624  -1.534  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       0.969   4.333  -4.755  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.674  -0.744  -1.770  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.679  -0.282  -0.812  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.060  -0.711  -1.271  1.00  0.17           C  
ATOM    375  O   LYS A  23       6.007   0.081  -1.272  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.389  -0.831   0.591  1.00  0.27           C  
ATOM    377  CG  LYS A  23       4.334  -0.311   1.669  1.00  0.73           C  
ATOM    378  CD  LYS A  23       4.102   1.167   1.964  1.00  0.61           C  
ATOM    379  CE  LYS A  23       2.761   1.405   2.652  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       2.714   0.794   4.007  1.00  1.01           N1+
ATOM    381  H   LYS A  23       1.891  -1.234  -1.434  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.641   0.796  -0.787  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       2.381  -0.559   0.867  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       3.464  -1.908   0.565  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       4.181  -0.879   2.576  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       5.352  -0.443   1.330  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       4.892   1.525   2.609  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       4.120   1.714   1.036  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       2.601   2.470   2.744  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       1.976   0.978   2.045  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       2.816  -0.239   3.943  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       1.808   1.014   4.468  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       3.484   1.170   4.595  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.169  -1.965  -1.668  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.407  -2.477  -2.173  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.547  -3.952  -1.771  1.00  0.30           C  
HETATM  397  CG  HMR A  24       7.882  -4.569  -2.141  1.00  0.34           C  
HETATM  398  CD  HMR A  24       7.964  -6.020  -1.701  1.00  0.50           C  
HETATM  399  NE  HMR A  24       9.274  -6.602  -1.991  1.00  0.95           N  
HETATM  400  CZ  HMR A  24       9.654  -7.817  -1.600  1.00  1.35           C  
HETATM  401  NH1 HMR A  24      10.870  -8.260  -1.895  1.00  1.85           N  
HETATM  402  NH2 HMR A  24       8.823  -8.582  -0.905  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.223  -1.259  -4.243  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.428  -1.378  -4.470  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.411  -2.408  -3.701  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.386  -2.560  -1.608  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.205  -1.841  -1.759  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       5.767  -4.517  -2.257  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       6.423  -4.032  -0.701  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       8.673  -4.011  -1.661  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       8.006  -4.524  -3.210  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.205  -6.584  -2.223  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       7.784  -6.071  -0.637  1.00  0.77           H  
HETATM  414  HE  HMR A  24       9.906  -6.049  -2.506  1.00  1.18           H  
HETATM  415  HH1 HMR A  24      11.506  -7.682  -2.413  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       7.904  -8.249  -0.672  1.00  1.35           H  
HETATM  417 HH22 HMR A  24       9.105  -9.498  -0.608  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       6.821  -3.325  -4.088  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.397  -2.299  -4.051  1.00  0.23           H  
HETATM  420  HH2 HMR A  24      11.162  -9.174  -1.602  1.00  2.15           H  
ATOM    421  N   THR A  25       6.558  -0.125  -4.435  1.00  0.16           N  
ATOM    422  CA  THR A  25       7.188   1.028  -5.056  1.00  0.23           C  
ATOM    423  C   THR A  25       7.947   1.884  -4.033  1.00  0.22           C  
ATOM    424  O   THR A  25       9.015   2.419  -4.341  1.00  0.34           O  
ATOM    425  CB  THR A  25       6.160   1.894  -5.834  1.00  0.34           C  
ATOM    426  OG1 THR A  25       6.835   2.917  -6.573  1.00  1.33           O  
ATOM    427  CG2 THR A  25       5.134   2.537  -4.908  1.00  1.09           C  
ATOM    428  H   THR A  25       5.616  -0.068  -4.154  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.903   0.650  -5.770  1.00  0.30           H  
ATOM    430  HB  THR A  25       5.639   1.253  -6.528  1.00  0.94           H  
ATOM    431  HG1 THR A  25       7.668   2.565  -6.917  1.00  1.98           H  
ATOM    432 HG21 THR A  25       4.570   1.768  -4.402  1.00  1.66           H  
ATOM    433 HG22 THR A  25       4.462   3.152  -5.489  1.00  1.47           H  
ATOM    434 HG23 THR A  25       5.643   3.150  -4.179  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.428   1.991  -2.811  1.00  0.20           N  
ATOM    436  CA  HIS A  26       8.085   2.802  -1.791  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.127   1.971  -1.066  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.255   2.408  -0.846  1.00  0.38           O  
ATOM    439  CB  HIS A  26       7.104   3.329  -0.739  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.906   4.053  -1.258  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.938   5.278  -1.921  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.601   3.732  -1.127  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.662   5.652  -2.148  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.850   4.740  -1.680  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.603   1.502  -2.588  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.569   3.633  -2.278  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.742   2.494  -0.158  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.634   4.004  -0.081  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.746   5.780  -2.175  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       4.205   2.839  -0.674  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.357   6.566  -2.633  1.00  0.37           H  
HETATM  452  CG  B3T A  27       8.829  -0.862   1.143  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       7.837  -1.719   0.571  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       8.157   0.143   2.069  1.00  0.76           C  
HETATM  455  CA  B3T A  27       9.602  -0.139   0.029  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.730   0.766  -0.697  1.00  0.36           N  
HETATM  457  CB  B3T A  27      10.241  -1.146  -0.925  1.00  0.62           C  
HETATM  458  C   B3T A  27      11.689  -1.424  -0.576  1.00  0.82           C  
HETATM  459  O   B3T A  27      11.981  -2.062   0.439  1.00  1.03           O  
HETATM  460  HG  B3T A  27       9.522  -1.455   1.719  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       7.247  -1.203   0.011  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27       8.908   0.754   2.545  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27       7.590  -0.384   2.822  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27       7.494   0.772   1.495  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.378   0.446   0.495  1.00  0.52           H  
HETATM  466  H   B3T A  27       7.822   0.475  -0.923  1.00  0.39           H  
HETATM  467  HB1 B3T A  27      10.198  -0.756  -1.930  1.00  0.63           H  
HETATM  468  HB2 B3T A  27       9.693  -2.074  -0.880  1.00  0.70           H  
ATOM    469  N   GLY A  28      12.601  -0.942  -1.412  1.00  1.30           N  
ATOM    470  CA  GLY A  28      14.015  -1.122  -1.148  1.00  1.53           C  
ATOM    471  C   GLY A  28      14.472  -0.316   0.049  1.00  1.68           C  
ATOM    472  O   GLY A  28      15.408  -0.696   0.752  1.00  2.18           O  
ATOM    473  H   GLY A  28      12.311  -0.462  -2.217  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      14.205  -2.167  -0.962  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      14.576  -0.812  -2.015  1.00  1.58           H  
ATOM    476  N   GLU A  29      13.796   0.795   0.289  1.00  1.96           N  
ATOM    477  CA  GLU A  29      14.122   1.659   1.408  1.00  2.41           C  
ATOM    478  C   GLU A  29      13.055   1.539   2.493  1.00  2.39           C  
ATOM    479  O   GLU A  29      12.139   2.360   2.576  1.00  3.19           O  
ATOM    480  CB  GLU A  29      14.250   3.112   0.937  1.00  3.15           C  
ATOM    481  CG  GLU A  29      14.779   4.056   2.000  1.00  3.91           C  
ATOM    482  CD  GLU A  29      16.085   3.582   2.595  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      16.080   3.092   3.744  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      17.126   3.696   1.917  1.00  4.51           O1-
ATOM    485  H   GLU A  29      13.049   1.034  -0.298  1.00  2.25           H  
ATOM    486  HA  GLU A  29      15.070   1.335   1.813  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      14.920   3.147   0.091  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      13.277   3.464   0.627  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      14.935   5.028   1.555  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      14.045   4.135   2.788  1.00  4.26           H  
ATOM    491  N   LYS A  30      13.165   0.502   3.308  1.00  1.95           N  
ATOM    492  CA  LYS A  30      12.217   0.283   4.387  1.00  2.32           C  
ATOM    493  C   LYS A  30      12.955  -0.089   5.668  1.00  2.89           C  
ATOM    494  O   LYS A  30      13.038  -1.258   6.049  1.00  3.15           O  
ATOM    495  CB  LYS A  30      11.214  -0.813   4.011  1.00  2.23           C  
ATOM    496  CG  LYS A  30      10.113  -1.000   5.041  1.00  2.98           C  
ATOM    497  CD  LYS A  30       9.176  -2.136   4.668  1.00  3.35           C  
ATOM    498  CE  LYS A  30       8.094  -2.322   5.718  1.00  3.96           C  
ATOM    499  NZ  LYS A  30       8.663  -2.692   7.040  1.00  4.54           N1+
ATOM    500  H   LYS A  30      13.908  -0.130   3.187  1.00  1.83           H  
ATOM    501  HA  LYS A  30      11.683   1.207   4.551  1.00  2.86           H  
ATOM    502  HB2 LYS A  30      10.755  -0.557   3.068  1.00  2.41           H  
ATOM    503  HB3 LYS A  30      11.740  -1.750   3.904  1.00  2.30           H  
ATOM    504  HG2 LYS A  30      10.565  -1.219   5.996  1.00  3.30           H  
ATOM    505  HG3 LYS A  30       9.543  -0.084   5.112  1.00  3.48           H  
ATOM    506  HD2 LYS A  30       8.709  -1.910   3.720  1.00  3.50           H  
ATOM    507  HD3 LYS A  30       9.746  -3.051   4.585  1.00  3.54           H  
ATOM    508  HE2 LYS A  30       7.545  -1.398   5.820  1.00  4.07           H  
ATOM    509  HE3 LYS A  30       7.423  -3.105   5.393  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30       9.365  -1.987   7.337  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30       9.124  -3.622   6.986  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30       7.909  -2.734   7.755  1.00  4.84           H  
HETATM  513  N   NH2 A  31      13.497   0.911   6.332  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31      13.390   1.818   5.972  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31      13.986   0.709   7.155  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.857   4.764  -1.710  1.00  0.26          ZN  
ENDMDL                                                                          
MODEL       10                                                                  
ATOM      1  N   PRO A   1     -11.957  -0.023   3.607  1.00  0.94           N  
ATOM      2  CA  PRO A   1     -10.784  -0.057   2.716  1.00  0.45           C  
ATOM      3  C   PRO A   1      -9.506   0.189   3.513  1.00  0.37           C  
ATOM      4  O   PRO A   1      -9.555   0.420   4.723  1.00  0.55           O  
ATOM      5  CB  PRO A   1     -10.954   1.011   1.642  1.00  1.13           C  
ATOM      6  CG  PRO A   1     -12.276   1.627   1.955  1.00  1.31           C  
ATOM      7  CD  PRO A   1     -12.570   1.299   3.402  1.00  1.20           C  
ATOM      8  H2  PRO A   1     -11.590  -0.232   4.550  1.00  1.42           H  
ATOM      9  H3  PRO A   1     -12.503  -0.884   3.363  1.00  1.38           H  
ATOM     10  HA  PRO A   1     -10.730  -1.032   2.253  1.00  1.10           H  
ATOM     11  HB2 PRO A   1     -10.149   1.728   1.710  1.00  1.56           H  
ATOM     12  HB3 PRO A   1     -10.956   0.550   0.664  1.00  1.61           H  
ATOM     13  HG2 PRO A   1     -12.226   2.697   1.816  1.00  2.09           H  
ATOM     14  HG3 PRO A   1     -13.034   1.203   1.316  1.00  1.47           H  
ATOM     15  HD2 PRO A   1     -12.120   2.034   4.054  1.00  1.99           H  
ATOM     16  HD3 PRO A   1     -13.637   1.254   3.567  1.00  1.32           H  
ATOM     17  N   PHE A   2      -8.372   0.125   2.832  1.00  0.25           N  
ATOM     18  CA  PHE A   2      -7.077   0.348   3.458  1.00  0.26           C  
ATOM     19  C   PHE A   2      -6.374   1.516   2.775  1.00  0.26           C  
ATOM     20  O   PHE A   2      -6.441   1.643   1.555  1.00  0.37           O  
ATOM     21  CB  PHE A   2      -6.203  -0.906   3.348  1.00  0.34           C  
ATOM     22  CG  PHE A   2      -6.842  -2.153   3.891  1.00  0.32           C  
ATOM     23  CD1 PHE A   2      -7.502  -3.030   3.047  1.00  0.31           C  
ATOM     24  CD2 PHE A   2      -6.791  -2.442   5.244  1.00  0.39           C  
ATOM     25  CE1 PHE A   2      -8.098  -4.174   3.543  1.00  0.32           C  
ATOM     26  CE2 PHE A   2      -7.384  -3.584   5.745  1.00  0.41           C  
ATOM     27  CZ  PHE A   2      -8.010  -4.466   4.893  1.00  0.35           C  
ATOM     28  H   PHE A   2      -8.403  -0.074   1.870  1.00  0.33           H  
ATOM     29  HA  PHE A   2      -7.238   0.585   4.498  1.00  0.30           H  
ATOM     30  HB2 PHE A   2      -5.964  -1.079   2.309  1.00  0.39           H  
ATOM     31  HB3 PHE A   2      -5.288  -0.738   3.897  1.00  0.41           H  
ATOM     32  HD1 PHE A   2      -7.548  -2.812   1.990  1.00  0.36           H  
ATOM     33  HD2 PHE A   2      -6.279  -1.766   5.913  1.00  0.46           H  
ATOM     34  HE1 PHE A   2      -8.610  -4.850   2.875  1.00  0.36           H  
ATOM     35  HE2 PHE A   2      -7.337  -3.798   6.801  1.00  0.51           H  
ATOM     36  HZ  PHE A   2      -8.464  -5.364   5.281  1.00  0.39           H  
HETATM   37  N   9KK A   3      -5.696   2.389   3.531  1.00  0.29           N  
HETATM   38  CE  9KK A   3      -5.103   8.556   3.309  1.00  0.99           C  
HETATM   39  CD  9KK A   3      -5.639   7.255   3.863  1.00  0.93           C  
HETATM   40  CG  9KK A   3      -5.056   6.075   3.099  1.00  0.85           C  
HETATM   41  CB  9KK A   3      -5.549   4.750   3.657  1.00  0.45           C  
HETATM   42  CA  9KK A   3      -5.000   3.527   2.916  1.00  0.31           C  
HETATM   43  CM  9KK A   3      -5.654   2.207   4.998  1.00  0.43           C  
HETATM   44  C   9KK A   3      -3.479   3.440   3.060  1.00  0.39           C  
HETATM   45  O   9KK A   3      -2.955   3.080   4.115  1.00  0.68           O  
HETATM   46  HE3 9KK A   3      -5.533   9.383   3.856  1.00  1.42           H  
HETATM   47  HE2 9KK A   3      -4.028   8.578   3.410  1.00  1.57           H  
HETATM   48  HE1 9KK A   3      -5.369   8.640   2.264  1.00  1.25           H  
HETATM   49  HD2 9KK A   3      -5.363   7.180   4.905  1.00  1.00           H  
HETATM   50  HD3 9KK A   3      -6.714   7.251   3.763  1.00  0.93           H  
HETATM   51  HG2 9KK A   3      -5.348   6.148   2.061  1.00  1.24           H  
HETATM   52  HG3 9KK A   3      -3.979   6.107   3.175  1.00  1.05           H  
HETATM   53  HB2 9KK A   3      -5.252   4.691   4.693  1.00  0.54           H  
HETATM   54  HB3 9KK A   3      -6.627   4.737   3.600  1.00  0.83           H  
HETATM   55  HA  9KK A   3      -5.245   3.605   1.866  1.00  0.24           H  
HETATM   56  HM1 9KK A   3      -4.840   2.784   5.406  1.00  1.10           H  
HETATM   57  HM3 9KK A   3      -6.583   2.543   5.429  1.00  0.98           H  
HETATM   58  HM2 9KK A   3      -5.503   1.162   5.227  1.00  1.22           H  
ATOM     59  N   CYS A   4      -2.777   3.783   1.986  1.00  0.22           N  
ATOM     60  CA  CYS A   4      -1.318   3.743   1.971  1.00  0.30           C  
ATOM     61  C   CYS A   4      -0.715   4.682   3.018  1.00  0.67           C  
ATOM     62  O   CYS A   4       0.339   4.397   3.583  1.00  1.71           O  
ATOM     63  CB  CYS A   4      -0.786   4.091   0.577  1.00  0.29           C  
ATOM     64  SG  CYS A   4       1.007   4.296   0.511  1.00  0.40           S  
ATOM     65  H   CYS A   4      -3.259   4.058   1.174  1.00  0.25           H  
ATOM     66  HA  CYS A   4      -1.020   2.736   2.209  1.00  0.57           H  
ATOM     67  HB2 CYS A   4      -1.051   3.301  -0.108  1.00  0.50           H  
ATOM     68  HB3 CYS A   4      -1.239   5.014   0.248  1.00  0.45           H  
ATOM     69  N   THR A   5      -1.406   5.801   3.257  1.00  0.40           N  
ATOM     70  CA  THR A   5      -1.028   6.809   4.263  1.00  0.47           C  
ATOM     71  C   THR A   5       0.394   7.354   4.077  1.00  0.41           C  
ATOM     72  O   THR A   5       0.927   8.013   4.967  1.00  0.54           O  
ATOM     73  CB  THR A   5      -1.202   6.295   5.717  1.00  0.82           C  
ATOM     74  OG1 THR A   5      -0.471   5.080   5.934  1.00  1.39           O  
ATOM     75  CG2 THR A   5      -2.670   6.062   6.039  1.00  1.47           C  
ATOM     76  H   THR A   5      -2.218   5.959   2.736  1.00  1.12           H  
ATOM     77  HA  THR A   5      -1.710   7.638   4.133  1.00  0.62           H  
ATOM     78  HB  THR A   5      -0.825   7.050   6.392  1.00  1.13           H  
ATOM     79  HG1 THR A   5      -0.046   4.809   5.106  1.00  1.89           H  
ATOM     80 HG21 THR A   5      -2.764   5.703   7.052  1.00  1.77           H  
ATOM     81 HG22 THR A   5      -3.077   5.328   5.358  1.00  2.12           H  
ATOM     82 HG23 THR A   5      -3.214   6.989   5.934  1.00  1.94           H  
ATOM     83  N   TRP A   6       0.994   7.102   2.920  1.00  0.37           N  
ATOM     84  CA  TRP A   6       2.329   7.602   2.635  1.00  0.47           C  
ATOM     85  C   TRP A   6       2.248   9.065   2.223  1.00  0.61           C  
ATOM     86  O   TRP A   6       1.365   9.446   1.451  1.00  0.63           O  
ATOM     87  CB  TRP A   6       2.975   6.770   1.526  1.00  0.47           C  
ATOM     88  CG  TRP A   6       4.441   7.009   1.366  1.00  0.60           C  
ATOM     89  CD1 TRP A   6       5.036   8.046   0.713  1.00  0.73           C  
ATOM     90  CD2 TRP A   6       5.500   6.182   1.857  1.00  0.67           C  
ATOM     91  NE1 TRP A   6       6.399   7.917   0.772  1.00  0.85           N  
ATOM     92  CE2 TRP A   6       6.710   6.782   1.469  1.00  0.82           C  
ATOM     93  CE3 TRP A   6       5.543   4.993   2.589  1.00  0.68           C  
ATOM     94  CZ2 TRP A   6       7.947   6.235   1.787  1.00  0.94           C  
ATOM     95  CZ3 TRP A   6       6.772   4.451   2.905  1.00  0.82           C  
ATOM     96  CH2 TRP A   6       7.957   5.073   2.505  1.00  0.94           C  
ATOM     97  H   TRP A   6       0.531   6.571   2.247  1.00  0.38           H  
ATOM     98  HA  TRP A   6       2.920   7.521   3.533  1.00  0.51           H  
ATOM     99  HB2 TRP A   6       2.833   5.724   1.742  1.00  0.43           H  
ATOM    100  HB3 TRP A   6       2.496   7.006   0.590  1.00  0.47           H  
ATOM    101  HD1 TRP A   6       4.499   8.845   0.227  1.00  0.78           H  
ATOM    102  HE1 TRP A   6       7.047   8.540   0.378  1.00  0.97           H  
ATOM    103  HE3 TRP A   6       4.636   4.500   2.905  1.00  0.61           H  
ATOM    104  HZ2 TRP A   6       8.874   6.702   1.487  1.00  1.06           H  
ATOM    105  HZ3 TRP A   6       6.825   3.534   3.470  1.00  0.88           H  
ATOM    106  HH2 TRP A   6       8.893   4.612   2.775  1.00  1.05           H  
HETATM  107  N   AIB A   7       3.170   9.868   2.742  1.00  0.79           N  
HETATM  108  CA  AIB A   7       3.186  11.315   2.506  1.00  0.99           C  
HETATM  109  C   AIB A   7       3.203  11.610   1.000  1.00  0.94           C  
HETATM  110  O   AIB A   7       4.171  11.289   0.306  1.00  0.94           O  
HETATM  111  CB1 AIB A   7       4.423  11.910   3.140  1.00  1.21           C  
HETATM  112  CB2 AIB A   7       1.981  11.959   3.173  1.00  1.13           C  
HETATM  113  H   AIB A   7       3.870   9.475   3.303  1.00  0.83           H  
HETATM  114 HB11 AIB A   7       4.417  11.707   4.200  1.00  1.51           H  
HETATM  115 HB12 AIB A   7       4.433  12.978   2.978  1.00  1.83           H  
HETATM  116 HB13 AIB A   7       5.302  11.470   2.693  1.00  1.48           H  
HETATM  117 HB21 AIB A   7       1.988  13.023   2.986  1.00  1.35           H  
HETATM  118 HB22 AIB A   7       2.024  11.782   4.238  1.00  1.60           H  
HETATM  119 HB23 AIB A   7       1.075  11.527   2.775  1.00  1.63           H  
ATOM    120  N   GLY A   8       2.128  12.205   0.500  1.00  0.95           N  
ATOM    121  CA  GLY A   8       2.082  12.614  -0.886  1.00  0.93           C  
ATOM    122  C   GLY A   8       1.479  11.563  -1.792  1.00  0.76           C  
ATOM    123  O   GLY A   8       1.297  11.798  -2.988  1.00  0.83           O  
ATOM    124  H   GLY A   8       1.354  12.362   1.080  1.00  1.01           H  
ATOM    125  HA2 GLY A   8       1.493  13.517  -0.959  1.00  1.03           H  
ATOM    126  HA3 GLY A   8       3.089  12.825  -1.218  1.00  0.99           H  
ATOM    127  N   CYS A   9       1.157  10.410  -1.228  1.00  0.61           N  
ATOM    128  CA  CYS A   9       0.622   9.311  -2.009  1.00  0.55           C  
ATOM    129  C   CYS A   9      -0.906   9.344  -2.017  1.00  0.92           C  
ATOM    130  O   CYS A   9      -1.517   9.731  -3.016  1.00  1.94           O  
ATOM    131  CB  CYS A   9       1.132   7.979  -1.455  1.00  0.42           C  
ATOM    132  SG  CYS A   9       0.735   6.559  -2.493  1.00  0.36           S  
ATOM    133  H   CYS A   9       1.283  10.298  -0.259  1.00  0.60           H  
ATOM    134  HA  CYS A   9       0.975   9.427  -3.022  1.00  0.54           H  
ATOM    135  HB2 CYS A   9       2.205   8.026  -1.357  1.00  0.40           H  
ATOM    136  HB3 CYS A   9       0.693   7.811  -0.483  1.00  0.62           H  
ATOM    137  N   GLY A  10      -1.520   8.956  -0.905  1.00  0.51           N  
ATOM    138  CA  GLY A  10      -2.970   8.978  -0.805  1.00  0.65           C  
ATOM    139  C   GLY A  10      -3.645   7.971  -1.720  1.00  0.58           C  
ATOM    140  O   GLY A  10      -4.418   8.344  -2.601  1.00  0.90           O  
ATOM    141  H   GLY A  10      -0.986   8.665  -0.137  1.00  1.03           H  
ATOM    142  HA2 GLY A  10      -3.251   8.763   0.214  1.00  0.78           H  
ATOM    143  HA3 GLY A  10      -3.318   9.966  -1.060  1.00  0.82           H  
ATOM    144  N   LYS A  11      -3.347   6.692  -1.518  1.00  0.37           N  
ATOM    145  CA  LYS A  11      -3.973   5.627  -2.294  1.00  0.28           C  
ATOM    146  C   LYS A  11      -4.801   4.719  -1.384  1.00  0.22           C  
ATOM    147  O   LYS A  11      -4.406   4.469  -0.242  1.00  0.28           O  
ATOM    148  CB  LYS A  11      -2.913   4.781  -3.011  1.00  0.36           C  
ATOM    149  CG  LYS A  11      -2.081   5.536  -4.036  1.00  0.42           C  
ATOM    150  CD  LYS A  11      -2.934   6.085  -5.169  1.00  0.67           C  
ATOM    151  CE  LYS A  11      -2.073   6.576  -6.322  1.00  1.05           C  
ATOM    152  NZ  LYS A  11      -2.873   7.289  -7.349  1.00  1.40           N1+
ATOM    153  H   LYS A  11      -2.696   6.459  -0.832  1.00  0.51           H  
ATOM    154  HA  LYS A  11      -4.622   6.082  -3.026  1.00  0.30           H  
ATOM    155  HB2 LYS A  11      -2.241   4.373  -2.269  1.00  0.43           H  
ATOM    156  HB3 LYS A  11      -3.408   3.963  -3.515  1.00  0.39           H  
ATOM    157  HG2 LYS A  11      -1.585   6.360  -3.543  1.00  0.81           H  
ATOM    158  HG3 LYS A  11      -1.342   4.863  -4.446  1.00  0.69           H  
ATOM    159  HD2 LYS A  11      -3.586   5.304  -5.528  1.00  0.84           H  
ATOM    160  HD3 LYS A  11      -3.524   6.909  -4.796  1.00  1.18           H  
ATOM    161  HE2 LYS A  11      -1.323   7.249  -5.934  1.00  1.67           H  
ATOM    162  HE3 LYS A  11      -1.591   5.727  -6.780  1.00  1.72           H  
ATOM    163  HZ1 LYS A  11      -2.279   7.510  -8.174  1.00  1.79           H  
ATOM    164  HZ2 LYS A  11      -3.245   8.180  -6.961  1.00  1.89           H  
ATOM    165  HZ3 LYS A  11      -3.670   6.699  -7.659  1.00  1.93           H  
HETATM  166  N   MMO A  12      -5.958   4.222  -1.864  1.00  0.18           N  
HETATM  167  CA  MMO A  12      -6.743   3.239  -1.087  1.00  0.17           C  
HETATM  168  C   MMO A  12      -6.920   1.900  -1.810  1.00  0.14           C  
HETATM  169  O   MMO A  12      -7.056   1.833  -3.035  1.00  0.25           O  
HETATM  170  CB  MMO A  12      -8.102   3.902  -0.842  1.00  0.28           C  
HETATM  171  CG  MMO A  12      -8.038   5.129   0.052  1.00  0.38           C  
HETATM  172  CD  MMO A  12      -9.427   5.561   0.491  1.00  0.55           C  
HETATM  173  NE  MMO A  12     -10.299   5.855  -0.645  1.00  1.09           N  
HETATM  174  CZ  MMO A  12     -11.630   5.860  -0.581  1.00  1.58           C  
HETATM  175  NH2 MMO A  12     -12.247   5.601   0.566  1.00  1.59           N  
HETATM  176  NH1 MMO A  12     -12.343   6.129  -1.667  1.00  2.55           N  
HETATM  177  CN  MMO A  12      -6.448   4.671  -3.188  1.00  0.27           C  
HETATM  178  HA  MMO A  12      -6.268   3.050  -0.134  1.00  0.21           H  
HETATM  179 HCB1 MMO A  12      -8.756   3.182  -0.376  1.00  0.32           H  
HETATM  180 HCB2 MMO A  12      -8.524   4.196  -1.791  1.00  0.31           H  
HETATM  181 HCG1 MMO A  12      -7.574   5.939  -0.494  1.00  0.37           H  
HETATM  182 HCG2 MMO A  12      -7.450   4.897   0.927  1.00  0.41           H  
HETATM  183 HCD1 MMO A  12      -9.339   6.445   1.105  1.00  1.24           H  
HETATM  184 HCD2 MMO A  12      -9.867   4.764   1.070  1.00  1.20           H  
HETATM  185 HH21 MMO A  12     -11.715   5.398   1.393  1.00  1.64           H  
HETATM  186 HH22 MMO A  12     -13.249   5.610   0.615  1.00  2.05           H  
HETATM  187 HH11 MMO A  12     -13.346   6.133  -1.625  1.00  2.91           H  
HETATM  188  HC1 MMO A  12      -5.655   4.575  -3.915  1.00  1.00           H  
HETATM  189  HC2 MMO A  12      -6.760   5.702  -3.127  1.00  1.08           H  
HETATM  190  HC3 MMO A  12      -7.285   4.058  -3.489  1.00  1.02           H  
HETATM  191  HE  MMO A  12      -9.866   6.061  -1.505  1.00  1.66           H  
HETATM  192 HH12 MMO A  12     -11.883   6.325  -2.539  1.00  3.06           H  
ATOM    193  N   PHE A  13      -6.922   0.832  -1.033  1.00  0.13           N  
ATOM    194  CA  PHE A  13      -6.963  -0.522  -1.564  1.00  0.12           C  
ATOM    195  C   PHE A  13      -7.998  -1.351  -0.822  1.00  0.16           C  
ATOM    196  O   PHE A  13      -8.295  -1.085   0.341  1.00  0.32           O  
ATOM    197  CB  PHE A  13      -5.580  -1.157  -1.429  1.00  0.18           C  
ATOM    198  CG  PHE A  13      -4.515  -0.358  -2.111  1.00  0.23           C  
ATOM    199  CD1 PHE A  13      -4.273  -0.526  -3.460  1.00  0.27           C  
ATOM    200  CD2 PHE A  13      -3.776   0.579  -1.408  1.00  0.28           C  
ATOM    201  CE1 PHE A  13      -3.313   0.227  -4.101  1.00  0.33           C  
ATOM    202  CE2 PHE A  13      -2.811   1.332  -2.042  1.00  0.35           C  
ATOM    203  CZ  PHE A  13      -2.582   1.157  -3.392  1.00  0.36           C  
ATOM    204  H   PHE A  13      -6.893   0.956  -0.058  1.00  0.24           H  
ATOM    205  HA  PHE A  13      -7.231  -0.468  -2.607  1.00  0.13           H  
ATOM    206  HB2 PHE A  13      -5.322  -1.229  -0.381  1.00  0.22           H  
ATOM    207  HB3 PHE A  13      -5.594  -2.143  -1.865  1.00  0.19           H  
ATOM    208  HD1 PHE A  13      -4.847  -1.255  -4.012  1.00  0.28           H  
ATOM    209  HD2 PHE A  13      -3.958   0.716  -0.351  1.00  0.30           H  
ATOM    210  HE1 PHE A  13      -3.132   0.086  -5.154  1.00  0.38           H  
ATOM    211  HE2 PHE A  13      -2.242   2.060  -1.485  1.00  0.41           H  
ATOM    212  HZ  PHE A  13      -1.830   1.747  -3.893  1.00  0.41           H  
ATOM    213  N   THR A  14      -8.553  -2.350  -1.490  1.00  0.20           N  
ATOM    214  CA  THR A  14      -9.570  -3.191  -0.878  1.00  0.26           C  
ATOM    215  C   THR A  14      -8.944  -4.442  -0.259  1.00  0.18           C  
ATOM    216  O   THR A  14      -9.629  -5.258   0.360  1.00  0.32           O  
ATOM    217  CB  THR A  14     -10.672  -3.580  -1.895  1.00  0.46           C  
ATOM    218  OG1 THR A  14     -11.756  -4.243  -1.231  1.00  1.31           O  
ATOM    219  CG2 THR A  14     -10.119  -4.482  -2.992  1.00  0.93           C  
ATOM    220  H   THR A  14      -8.280  -2.520  -2.420  1.00  0.30           H  
ATOM    221  HA  THR A  14     -10.030  -2.617  -0.087  1.00  0.34           H  
ATOM    222  HB  THR A  14     -11.048  -2.676  -2.353  1.00  1.25           H  
ATOM    223  HG1 THR A  14     -11.893  -5.113  -1.631  1.00  1.99           H  
ATOM    224 HG21 THR A  14      -9.294  -3.987  -3.483  1.00  1.54           H  
ATOM    225 HG22 THR A  14     -10.896  -4.688  -3.713  1.00  1.62           H  
ATOM    226 HG23 THR A  14      -9.778  -5.406  -2.557  1.00  1.52           H  
ATOM    227  N   ARG A  15      -7.635  -4.578  -0.416  1.00  0.16           N  
ATOM    228  CA  ARG A  15      -6.902  -5.695   0.160  1.00  0.16           C  
ATOM    229  C   ARG A  15      -5.606  -5.206   0.783  1.00  0.14           C  
ATOM    230  O   ARG A  15      -4.847  -4.461   0.160  1.00  0.14           O  
ATOM    231  CB  ARG A  15      -6.593  -6.744  -0.908  1.00  0.29           C  
ATOM    232  CG  ARG A  15      -7.820  -7.474  -1.423  1.00  0.31           C  
ATOM    233  CD  ARG A  15      -7.500  -8.282  -2.668  1.00  0.92           C  
ATOM    234  NE  ARG A  15      -8.674  -8.982  -3.184  1.00  1.27           N  
ATOM    235  CZ  ARG A  15      -9.266  -8.698  -4.346  1.00  1.98           C  
ATOM    236  NH1 ARG A  15      -8.856  -7.668  -5.076  1.00  2.51           N1+
ATOM    237  NH2 ARG A  15     -10.295  -9.427  -4.763  1.00  2.55           N  
ATOM    238  H   ARG A  15      -7.144  -3.907  -0.932  1.00  0.29           H  
ATOM    239  HA  ARG A  15      -7.517  -6.138   0.929  1.00  0.19           H  
ATOM    240  HB2 ARG A  15      -6.113  -6.259  -1.743  1.00  0.36           H  
ATOM    241  HB3 ARG A  15      -5.916  -7.475  -0.490  1.00  0.38           H  
ATOM    242  HG2 ARG A  15      -8.178  -8.142  -0.653  1.00  0.57           H  
ATOM    243  HG3 ARG A  15      -8.584  -6.750  -1.657  1.00  0.65           H  
ATOM    244  HD2 ARG A  15      -7.126  -7.613  -3.429  1.00  1.45           H  
ATOM    245  HD3 ARG A  15      -6.739  -9.007  -2.426  1.00  1.50           H  
ATOM    246  HE  ARG A  15      -9.027  -9.722  -2.643  1.00  1.47           H  
ATOM    247 HH11 ARG A  15      -8.093  -7.085  -4.757  1.00  2.52           H  
ATOM    248 HH12 ARG A  15      -9.298  -7.464  -5.954  1.00  3.13           H  
ATOM    249 HH21 ARG A  15     -10.632 -10.191  -4.206  1.00  2.68           H  
ATOM    250 HH22 ARG A  15     -10.738  -9.218  -5.638  1.00  3.07           H  
ATOM    251  N   SER A  16      -5.361  -5.638   2.012  1.00  0.15           N  
ATOM    252  CA  SER A  16      -4.178  -5.229   2.750  1.00  0.17           C  
ATOM    253  C   SER A  16      -2.935  -5.859   2.138  1.00  0.15           C  
ATOM    254  O   SER A  16      -1.859  -5.264   2.135  1.00  0.17           O  
ATOM    255  CB  SER A  16      -4.308  -5.617   4.228  1.00  0.24           C  
ATOM    256  OG  SER A  16      -3.258  -5.062   5.000  1.00  1.27           O  
ATOM    257  H   SER A  16      -5.996  -6.259   2.433  1.00  0.17           H  
ATOM    258  HA  SER A  16      -4.097  -4.157   2.672  1.00  0.18           H  
ATOM    259  HB2 SER A  16      -5.250  -5.252   4.612  1.00  1.04           H  
ATOM    260  HB3 SER A  16      -4.277  -6.692   4.319  1.00  1.05           H  
ATOM    261  HG  SER A  16      -2.988  -5.691   5.678  1.00  1.61           H  
HETATM  262  OE1 B3D A  17      -2.321  -9.030   3.946  1.00  2.20           O  
HETATM  263  CD  B3D A  17      -1.407  -9.046   3.096  1.00  1.42           C  
HETATM  264  OE2 B3D A  17      -0.196  -9.004   3.407  1.00  2.21           O  
HETATM  265  CG  B3D A  17      -1.784  -9.124   1.626  1.00  0.28           C  
HETATM  266  CA  B3D A  17      -1.984  -7.737   0.982  1.00  0.19           C  
HETATM  267  N   B3D A  17      -3.084  -7.066   1.608  1.00  0.15           N  
HETATM  268  CB  B3D A  17      -2.266  -7.980  -0.502  1.00  0.16           C  
HETATM  269  C   B3D A  17      -1.890  -6.822  -1.387  1.00  0.15           C  
HETATM  270  O   B3D A  17      -0.711  -6.562  -1.628  1.00  0.20           O  
HETATM  271  HG3 B3D A  17      -2.701  -9.685   1.541  1.00  1.07           H  
HETATM  272  HG2 B3D A  17      -1.000  -9.646   1.100  1.00  0.93           H  
HETATM  273  HA  B3D A  17      -1.107  -7.069   1.104  1.00  0.20           H  
HETATM  274  H   B3D A  17      -3.960  -7.507   1.650  1.00  0.16           H  
HETATM  275  HB1 B3D A  17      -1.710  -8.846  -0.825  1.00  0.22           H  
HETATM  276  HB2 B3D A  17      -3.320  -8.171  -0.629  1.00  0.15           H  
ATOM    277  N   GLU A  18      -2.913  -6.110  -1.855  1.00  0.14           N  
ATOM    278  CA  GLU A  18      -2.739  -4.963  -2.738  1.00  0.21           C  
ATOM    279  C   GLU A  18      -1.955  -3.848  -2.062  1.00  0.15           C  
ATOM    280  O   GLU A  18      -1.080  -3.245  -2.674  1.00  0.18           O  
ATOM    281  CB  GLU A  18      -4.099  -4.420  -3.168  1.00  0.39           C  
ATOM    282  CG  GLU A  18      -4.893  -5.363  -4.053  1.00  0.56           C  
ATOM    283  CD  GLU A  18      -6.291  -4.848  -4.332  1.00  1.75           C  
ATOM    284  OE1 GLU A  18      -7.226  -5.671  -4.428  1.00  2.68           O  
ATOM    285  OE2 GLU A  18      -6.461  -3.618  -4.455  1.00  2.01           O1-
ATOM    286  H   GLU A  18      -3.820  -6.370  -1.600  1.00  0.13           H  
ATOM    287  HA  GLU A  18      -2.199  -5.291  -3.610  1.00  0.29           H  
ATOM    288  HB2 GLU A  18      -4.685  -4.220  -2.283  1.00  0.42           H  
ATOM    289  HB3 GLU A  18      -3.949  -3.496  -3.705  1.00  0.44           H  
ATOM    290  HG2 GLU A  18      -4.374  -5.479  -4.992  1.00  0.84           H  
ATOM    291  HG3 GLU A  18      -4.969  -6.320  -3.563  1.00  0.95           H  
ATOM    292  N   LEU A  19      -2.286  -3.566  -0.808  1.00  0.15           N  
ATOM    293  CA  LEU A  19      -1.627  -2.501  -0.066  1.00  0.17           C  
ATOM    294  C   LEU A  19      -0.142  -2.797   0.121  1.00  0.16           C  
ATOM    295  O   LEU A  19       0.704  -1.963  -0.187  1.00  0.19           O  
ATOM    296  CB  LEU A  19      -2.299  -2.305   1.294  1.00  0.22           C  
ATOM    297  CG  LEU A  19      -1.618  -1.297   2.222  1.00  0.31           C  
ATOM    298  CD1 LEU A  19      -1.610   0.094   1.605  1.00  0.69           C  
ATOM    299  CD2 LEU A  19      -2.307  -1.273   3.576  1.00  0.86           C  
ATOM    300  H   LEU A  19      -3.000  -4.082  -0.372  1.00  0.16           H  
ATOM    301  HA  LEU A  19      -1.727  -1.593  -0.639  1.00  0.21           H  
ATOM    302  HB2 LEU A  19      -3.315  -1.979   1.123  1.00  0.26           H  
ATOM    303  HB3 LEU A  19      -2.326  -3.260   1.797  1.00  0.20           H  
ATOM    304  HG  LEU A  19      -0.593  -1.600   2.375  1.00  0.82           H  
ATOM    305 HD11 LEU A  19      -2.625   0.427   1.451  1.00  1.31           H  
ATOM    306 HD12 LEU A  19      -1.093   0.066   0.657  1.00  1.20           H  
ATOM    307 HD13 LEU A  19      -1.104   0.774   2.269  1.00  1.31           H  
ATOM    308 HD21 LEU A  19      -1.806  -0.568   4.223  1.00  1.38           H  
ATOM    309 HD22 LEU A  19      -2.269  -2.257   4.018  1.00  1.53           H  
ATOM    310 HD23 LEU A  19      -3.335  -0.975   3.449  1.00  1.36           H  
ATOM    311  N   GLN A  20       0.165  -3.986   0.620  1.00  0.16           N  
ATOM    312  CA  GLN A  20       1.548  -4.385   0.855  1.00  0.21           C  
ATOM    313  C   GLN A  20       2.313  -4.520  -0.461  1.00  0.16           C  
ATOM    314  O   GLN A  20       3.293  -3.805  -0.701  1.00  0.16           O  
ATOM    315  CB  GLN A  20       1.594  -5.702   1.633  1.00  0.30           C  
ATOM    316  CG  GLN A  20       2.998  -6.135   2.023  1.00  0.37           C  
ATOM    317  CD  GLN A  20       3.716  -5.136   2.914  1.00  1.09           C  
ATOM    318  OE1 GLN A  20       4.942  -5.032   2.870  1.00  1.82           O  
ATOM    319  NE2 GLN A  20       2.970  -4.406   3.730  1.00  1.83           N  
ATOM    320  H   GLN A  20      -0.561  -4.607   0.851  1.00  0.16           H  
ATOM    321  HA  GLN A  20       2.016  -3.614   1.446  1.00  0.27           H  
ATOM    322  HB2 GLN A  20       1.011  -5.595   2.533  1.00  0.35           H  
ATOM    323  HB3 GLN A  20       1.159  -6.479   1.026  1.00  0.30           H  
ATOM    324  HG2 GLN A  20       2.937  -7.076   2.549  1.00  0.90           H  
ATOM    325  HG3 GLN A  20       3.579  -6.268   1.122  1.00  1.00           H  
ATOM    326 HE21 GLN A  20       1.997  -4.542   3.721  1.00  2.08           H  
ATOM    327 HE22 GLN A  20       3.421  -3.759   4.316  1.00  2.45           H  
HETATM  328  N   HMR A  21       1.866  -5.428  -1.318  1.00  0.18           N  
HETATM  329  CB  HMR A  21       2.508  -5.625  -2.588  1.00  0.19           C  
HETATM  330  CC  HMR A  21       2.605  -7.128  -2.892  1.00  0.29           C  
HETATM  331  CG  HMR A  21       3.509  -7.898  -1.942  1.00  0.51           C  
HETATM  332  CD  HMR A  21       3.605  -9.368  -2.334  1.00  0.94           C  
HETATM  333  NE  HMR A  21       4.636 -10.073  -1.572  1.00  1.75           N  
HETATM  334  CZ  HMR A  21       4.927 -11.365  -1.722  1.00  2.14           C  
HETATM  335  NH1 HMR A  21       4.264 -12.107  -2.600  1.00  1.94           N  
HETATM  336  NH2 HMR A  21       5.898 -11.911  -1.001  1.00  3.01           N  
HETATM  337  C   HMR A  21       2.131  -3.610  -4.071  1.00  0.17           C  
HETATM  338  O   HMR A  21       3.072  -3.404  -4.842  1.00  0.27           O  
HETATM  339  CA  HMR A  21       1.692  -5.002  -3.718  1.00  0.16           C  
HETATM  340  H   HMR A  21       1.068  -5.960  -1.091  1.00  0.22           H  
HETATM  341  HB  HMR A  21       3.499  -5.134  -2.516  1.00  0.23           H  
HETATM  342  HB2 HMR A  21       2.984  -7.254  -3.894  1.00  0.35           H  
HETATM  343  HB3 HMR A  21       1.616  -7.553  -2.836  1.00  0.29           H  
HETATM  344  HG2 HMR A  21       3.105  -7.828  -0.943  1.00  0.69           H  
HETATM  345  HG3 HMR A  21       4.496  -7.463  -1.965  1.00  0.87           H  
HETATM  346  HD2 HMR A  21       3.842  -9.432  -3.386  1.00  1.35           H  
HETATM  347  HD3 HMR A  21       2.651  -9.842  -2.152  1.00  1.23           H  
HETATM  348  HE  HMR A  21       5.141  -9.550  -0.907  1.00  2.22           H  
HETATM  349  HH1 HMR A  21       3.536 -11.699  -3.159  1.00  1.68           H  
HETATM  350 HH21 HMR A  21       6.123 -12.884  -1.109  1.00  3.31           H  
HETATM  351 HH22 HMR A  21       6.415 -11.354  -0.346  1.00  3.45           H  
HETATM  352  HC1 HMR A  21       1.786  -5.619  -4.597  1.00  0.19           H  
HETATM  353  HC2 HMR A  21       0.653  -4.962  -3.420  1.00  0.14           H  
HETATM  354  HH2 HMR A  21       4.485 -13.080  -2.710  1.00  2.33           H  
ATOM    355  N   HIS A  22       1.449  -2.645  -3.472  1.00  0.15           N  
ATOM    356  CA  HIS A  22       1.680  -1.238  -3.735  1.00  0.15           C  
ATOM    357  C   HIS A  22       2.861  -0.697  -2.937  1.00  0.13           C  
ATOM    358  O   HIS A  22       3.758  -0.086  -3.512  1.00  0.12           O  
ATOM    359  CB  HIS A  22       0.421  -0.436  -3.406  1.00  0.20           C  
ATOM    360  CG  HIS A  22       0.657   1.039  -3.359  1.00  0.16           C  
ATOM    361  ND1 HIS A  22       0.600   1.878  -4.465  1.00  0.20           N  
ATOM    362  CD2 HIS A  22       1.004   1.821  -2.307  1.00  0.17           C  
ATOM    363  CE1 HIS A  22       0.921   3.116  -4.054  1.00  0.21           C  
ATOM    364  NE2 HIS A  22       1.167   3.102  -2.767  1.00  0.18           N  
ATOM    365  H   HIS A  22       0.748  -2.896  -2.829  1.00  0.18           H  
ATOM    366  HA  HIS A  22       1.895  -1.131  -4.785  1.00  0.16           H  
ATOM    367  HB2 HIS A  22      -0.328  -0.629  -4.157  1.00  0.25           H  
ATOM    368  HB3 HIS A  22       0.046  -0.746  -2.442  1.00  0.25           H  
ATOM    369  HD1 HIS A  22       0.358   1.614  -5.381  1.00  0.24           H  
ATOM    370  HD2 HIS A  22       1.125   1.505  -1.282  1.00  0.21           H  
ATOM    371  HE1 HIS A  22       0.973   3.988  -4.687  1.00  0.27           H  
ATOM    372  N   LYS A  23       2.840  -0.898  -1.617  1.00  0.18           N  
ATOM    373  CA  LYS A  23       3.865  -0.344  -0.732  1.00  0.19           C  
ATOM    374  C   LYS A  23       5.247  -0.676  -1.268  1.00  0.17           C  
ATOM    375  O   LYS A  23       6.134   0.186  -1.334  1.00  0.18           O  
ATOM    376  CB  LYS A  23       3.702  -0.880   0.696  1.00  0.27           C  
ATOM    377  CG  LYS A  23       4.652  -0.246   1.707  1.00  0.73           C  
ATOM    378  CD  LYS A  23       4.281   1.199   2.023  1.00  0.61           C  
ATOM    379  CE  LYS A  23       2.947   1.294   2.756  1.00  0.85           C  
ATOM    380  NZ  LYS A  23       2.655   2.682   3.210  1.00  1.01           N1+
ATOM    381  H   LYS A  23       2.117  -1.441  -1.227  1.00  0.22           H  
ATOM    382  HA  LYS A  23       3.747   0.728  -0.725  1.00  0.20           H  
ATOM    383  HB2 LYS A  23       2.690  -0.693   1.021  1.00  0.78           H  
ATOM    384  HB3 LYS A  23       3.876  -1.946   0.690  1.00  0.73           H  
ATOM    385  HG2 LYS A  23       4.621  -0.820   2.621  1.00  1.26           H  
ATOM    386  HG3 LYS A  23       5.653  -0.268   1.301  1.00  1.25           H  
ATOM    387  HD2 LYS A  23       5.052   1.629   2.646  1.00  0.85           H  
ATOM    388  HD3 LYS A  23       4.216   1.751   1.099  1.00  0.88           H  
ATOM    389  HE2 LYS A  23       2.159   0.972   2.090  1.00  1.56           H  
ATOM    390  HE3 LYS A  23       2.976   0.642   3.616  1.00  1.39           H  
ATOM    391  HZ1 LYS A  23       3.396   3.007   3.868  1.00  1.57           H  
ATOM    392  HZ2 LYS A  23       1.740   2.713   3.704  1.00  1.30           H  
ATOM    393  HZ3 LYS A  23       2.618   3.329   2.400  1.00  1.62           H  
HETATM  394  N   HMR A  24       5.420  -1.921  -1.677  1.00  0.18           N  
HETATM  395  CB  HMR A  24       6.662  -2.350  -2.248  1.00  0.20           C  
HETATM  396  CC  HMR A  24       6.970  -3.767  -1.742  1.00  0.30           C  
HETATM  397  CG  HMR A  24       8.257  -4.361  -2.283  1.00  0.34           C  
HETATM  398  CD  HMR A  24       8.627  -5.638  -1.546  1.00  0.50           C  
HETATM  399  NE  HMR A  24       9.837  -6.250  -2.089  1.00  0.95           N  
HETATM  400  CZ  HMR A  24      10.750  -6.880  -1.351  1.00  1.35           C  
HETATM  401  NH1 HMR A  24      11.824  -7.394  -1.933  1.00  1.85           N  
HETATM  402  NH2 HMR A  24      10.594  -6.991  -0.036  1.00  1.46           N  
HETATM  403  C   HMR A  24       7.142  -1.189  -4.466  1.00  0.18           C  
HETATM  404  O   HMR A  24       8.269  -1.215  -4.963  1.00  0.27           O  
HETATM  405  CA  HMR A  24       6.557  -2.400  -3.776  1.00  0.21           C  
HETATM  406  H   HMR A  24       4.678  -2.568  -1.584  1.00  0.21           H  
HETATM  407  HB  HMR A  24       7.421  -1.610  -1.938  1.00  0.21           H  
HETATM  408  HB2 HMR A  24       6.154  -4.417  -2.023  1.00  0.35           H  
HETATM  409  HB3 HMR A  24       7.039  -3.740  -0.667  1.00  0.37           H  
HETATM  410  HG2 HMR A  24       9.054  -3.645  -2.165  1.00  0.40           H  
HETATM  411  HG3 HMR A  24       8.125  -4.590  -3.328  1.00  0.38           H  
HETATM  412  HD2 HMR A  24       7.809  -6.338  -1.632  1.00  0.63           H  
HETATM  413  HD3 HMR A  24       8.790  -5.402  -0.506  1.00  0.77           H  
HETATM  414  HE  HMR A  24       9.966  -6.199  -3.066  1.00  1.18           H  
HETATM  415  HH1 HMR A  24      11.949  -7.307  -2.928  1.00  2.03           H  
HETATM  416 HH21 HMR A  24       9.785  -6.598   0.412  1.00  1.35           H  
HETATM  417 HH22 HMR A  24      11.282  -7.465   0.518  1.00  1.83           H  
HETATM  418  HC1 HMR A  24       7.076  -3.271  -4.133  1.00  0.28           H  
HETATM  419  HC2 HMR A  24       5.516  -2.473  -4.053  1.00  0.23           H  
HETATM  420  HH2 HMR A  24      12.516  -7.870  -1.388  1.00  2.15           H  
ATOM    421  N   THR A  25       6.359  -0.114  -4.491  1.00  0.16           N  
ATOM    422  CA  THR A  25       6.742   1.111  -5.172  1.00  0.23           C  
ATOM    423  C   THR A  25       7.633   1.981  -4.292  1.00  0.22           C  
ATOM    424  O   THR A  25       8.693   2.437  -4.726  1.00  0.34           O  
ATOM    425  CB  THR A  25       5.503   1.925  -5.599  1.00  0.34           C  
ATOM    426  OG1 THR A  25       4.682   2.216  -4.457  1.00  1.33           O  
ATOM    427  CG2 THR A  25       4.681   1.175  -6.635  1.00  1.09           C  
ATOM    428  H   THR A  25       5.490  -0.151  -4.037  1.00  0.17           H  
ATOM    429  HA  THR A  25       7.289   0.840  -6.060  1.00  0.30           H  
ATOM    430  HB  THR A  25       5.839   2.855  -6.032  1.00  0.94           H  
ATOM    431  HG1 THR A  25       4.131   1.446  -4.251  1.00  1.98           H  
ATOM    432 HG21 THR A  25       5.283   1.000  -7.514  1.00  1.66           H  
ATOM    433 HG22 THR A  25       3.816   1.765  -6.902  1.00  1.47           H  
ATOM    434 HG23 THR A  25       4.360   0.230  -6.224  1.00  1.67           H  
ATOM    435  N   HIS A  26       7.212   2.198  -3.051  1.00  0.20           N  
ATOM    436  CA  HIS A  26       7.969   3.038  -2.136  1.00  0.25           C  
ATOM    437  C   HIS A  26       9.144   2.248  -1.583  1.00  0.30           C  
ATOM    438  O   HIS A  26      10.241   2.775  -1.392  1.00  0.38           O  
ATOM    439  CB  HIS A  26       7.102   3.525  -0.966  1.00  0.25           C  
ATOM    440  CG  HIS A  26       5.822   4.212  -1.348  1.00  0.24           C  
ATOM    441  ND1 HIS A  26       5.732   5.523  -1.812  1.00  0.29           N  
ATOM    442  CD2 HIS A  26       4.546   3.762  -1.254  1.00  0.25           C  
ATOM    443  CE1 HIS A  26       4.424   5.818  -1.966  1.00  0.30           C  
ATOM    444  NE2 HIS A  26       3.698   4.780  -1.637  1.00  0.25           N  
ATOM    445  H   HIS A  26       6.382   1.768  -2.741  1.00  0.24           H  
ATOM    446  HA  HIS A  26       8.339   3.889  -2.687  1.00  0.31           H  
ATOM    447  HB2 HIS A  26       6.838   2.675  -0.356  1.00  0.27           H  
ATOM    448  HB3 HIS A  26       7.679   4.217  -0.369  1.00  0.28           H  
ATOM    449  HD1 HIS A  26       6.488   6.129  -1.985  1.00  0.33           H  
ATOM    450  HD2 HIS A  26       4.236   2.779  -0.938  1.00  0.28           H  
ATOM    451  HE1 HIS A  26       4.034   6.766  -2.306  1.00  0.37           H  
HETATM  452  CG  B3T A  27       9.486  -0.439   0.580  1.00  0.60           C  
HETATM  453  OD1 B3T A  27       8.184  -1.027   0.485  1.00  0.76           O  
HETATM  454  CD2 B3T A  27       9.459   0.688   1.596  1.00  0.76           C  
HETATM  455  CA  B3T A  27       9.917   0.077  -0.800  1.00  0.46           C  
HETATM  456  N   B3T A  27       8.901   0.967  -1.343  1.00  0.36           N  
HETATM  457  CB  B3T A  27      10.172  -1.097  -1.749  1.00  0.62           C  
HETATM  458  C   B3T A  27      11.647  -1.437  -1.878  1.00  0.82           C  
HETATM  459  O   B3T A  27      12.497  -0.781  -1.279  1.00  1.03           O  
HETATM  460  HG  B3T A  27      10.192  -1.188   0.909  1.00  0.67           H  
HETATM  461 HOD1 B3T A  27       7.606  -0.442  -0.019  1.00  1.25           H  
HETATM  462 H1D2 B3T A  27       9.121   0.307   2.548  1.00  1.25           H  
HETATM  463 H2D2 B3T A  27       8.787   1.461   1.257  1.00  1.43           H  
HETATM  464 H3D2 B3T A  27      10.452   1.099   1.705  1.00  1.15           H  
HETATM  465  HA  B3T A  27      10.827   0.641  -0.680  1.00  0.52           H  
HETATM  466  H   B3T A  27       8.006   0.611  -1.535  1.00  0.39           H  
HETATM  467  HB1 B3T A  27       9.793  -0.846  -2.728  1.00  0.63           H  
HETATM  468  HB2 B3T A  27       9.653  -1.966  -1.377  1.00  0.70           H  
ATOM    469  N   GLY A  28      11.950  -2.468  -2.663  1.00  1.30           N  
ATOM    470  CA  GLY A  28      13.332  -2.846  -2.899  1.00  1.53           C  
ATOM    471  C   GLY A  28      14.031  -3.349  -1.651  1.00  1.68           C  
ATOM    472  O   GLY A  28      15.164  -2.956  -1.370  1.00  2.18           O  
ATOM    473  H   GLY A  28      11.227  -2.975  -3.091  1.00  1.67           H  
ATOM    474  HA2 GLY A  28      13.357  -3.623  -3.648  1.00  1.86           H  
ATOM    475  HA3 GLY A  28      13.867  -1.986  -3.273  1.00  1.58           H  
ATOM    476  N   GLU A  29      13.344  -4.209  -0.899  1.00  1.96           N  
ATOM    477  CA  GLU A  29      13.889  -4.791   0.329  1.00  2.41           C  
ATOM    478  C   GLU A  29      14.281  -3.687   1.311  1.00  2.39           C  
ATOM    479  O   GLU A  29      15.416  -3.624   1.789  1.00  3.19           O  
ATOM    480  CB  GLU A  29      15.093  -5.692   0.016  1.00  3.15           C  
ATOM    481  CG  GLU A  29      15.502  -6.591   1.171  1.00  3.91           C  
ATOM    482  CD  GLU A  29      16.771  -7.367   0.892  1.00  4.36           C  
ATOM    483  OE1 GLU A  29      17.863  -6.874   1.252  1.00  4.89           O  
ATOM    484  OE2 GLU A  29      16.688  -8.476   0.323  1.00  4.51           O1-
ATOM    485  H   GLU A  29      12.434  -4.451  -1.173  1.00  2.25           H  
ATOM    486  HA  GLU A  29      13.111  -5.392   0.779  1.00  2.64           H  
ATOM    487  HB2 GLU A  29      14.851  -6.315  -0.829  1.00  3.38           H  
ATOM    488  HB3 GLU A  29      15.934  -5.067  -0.239  1.00  3.49           H  
ATOM    489  HG2 GLU A  29      15.658  -5.980   2.046  1.00  4.30           H  
ATOM    490  HG3 GLU A  29      14.705  -7.293   1.361  1.00  4.26           H  
ATOM    491  N   LYS A  30      13.335  -2.807   1.594  1.00  1.95           N  
ATOM    492  CA  LYS A  30      13.566  -1.705   2.510  1.00  2.32           C  
ATOM    493  C   LYS A  30      12.591  -1.789   3.676  1.00  2.89           C  
ATOM    494  O   LYS A  30      11.482  -1.254   3.623  1.00  3.15           O  
ATOM    495  CB  LYS A  30      13.419  -0.364   1.784  1.00  2.23           C  
ATOM    496  CG  LYS A  30      13.802   0.837   2.630  1.00  2.98           C  
ATOM    497  CD  LYS A  30      13.617   2.134   1.864  1.00  3.35           C  
ATOM    498  CE  LYS A  30      14.019   3.336   2.702  1.00  3.96           C  
ATOM    499  NZ  LYS A  30      13.774   4.613   1.988  1.00  4.54           N1+
ATOM    500  H   LYS A  30      12.451  -2.907   1.179  1.00  1.83           H  
ATOM    501  HA  LYS A  30      14.573  -1.794   2.890  1.00  2.86           H  
ATOM    502  HB2 LYS A  30      14.048  -0.372   0.907  1.00  2.41           H  
ATOM    503  HB3 LYS A  30      12.391  -0.246   1.476  1.00  2.30           H  
ATOM    504  HG2 LYS A  30      13.183   0.858   3.515  1.00  3.30           H  
ATOM    505  HG3 LYS A  30      14.839   0.745   2.916  1.00  3.48           H  
ATOM    506  HD2 LYS A  30      14.232   2.106   0.978  1.00  3.50           H  
ATOM    507  HD3 LYS A  30      12.578   2.233   1.583  1.00  3.54           H  
ATOM    508  HE2 LYS A  30      13.448   3.331   3.618  1.00  4.07           H  
ATOM    509  HE3 LYS A  30      15.071   3.259   2.934  1.00  4.35           H  
ATOM    510  HZ1 LYS A  30      14.065   5.415   2.582  1.00  4.69           H  
ATOM    511  HZ2 LYS A  30      12.764   4.713   1.765  1.00  4.86           H  
ATOM    512  HZ3 LYS A  30      14.317   4.640   1.101  1.00  4.84           H  
HETATM  513  N   NH2 A  31      12.999  -2.482   4.721  1.00  3.54           N  
HETATM  514  HN1 NH2 A  31      13.896  -2.879   4.689  1.00  3.61           H  
HETATM  515  HN2 NH2 A  31      12.392  -2.571   5.484  1.00  4.13           H  
TER     516      NH2 A  31                                                      
HETATM  517 ZN    ZN A 101       1.702   4.656  -1.650  1.00  0.26          ZN  
ENDMDL                                                                          
CONECT   19   37                                                                
CONECT   37   19   42   43                                                      
CONECT   38   39   46   47   48                                                 
CONECT   39   38   40   49   50                                                 
CONECT   40   39   41   51   52                                                 
CONECT   41   40   42   53   54                                                 
CONECT   42   37   41   44   55                                                 
CONECT   43   37   56   57   58                                                 
CONECT   44   42   45   59                                                      
CONECT   45   44                                                                
CONECT   46   38                                                                
CONECT   47   38                                                                
CONECT   48   38                                                                
CONECT   49   39                                                                
CONECT   50   39                                                                
CONECT   51   40                                                                
CONECT   52   40                                                                
CONECT   53   41                                                                
CONECT   54   41                                                                
CONECT   55   42                                                                
CONECT   56   43                                                                
CONECT   57   43                                                                
CONECT   58   43                                                                
CONECT   59   44                                                                
CONECT   64  517                                                                
CONECT   85  107                                                                
CONECT  107   85  108  113                                                      
CONECT  108  107  109  111  112                                                 
CONECT  109  108  110  120                                                      
CONECT  110  109                                                                
CONECT  111  108  114  115  116                                                 
CONECT  112  108  117  118  119                                                 
CONECT  113  107                                                                
CONECT  114  111                                                                
CONECT  115  111                                                                
CONECT  116  111                                                                
CONECT  117  112                                                                
CONECT  118  112                                                                
CONECT  119  112                                                                
CONECT  120  109                                                                
CONECT  132  517                                                                
CONECT  146  166                                                                
CONECT  166  146  167  177                                                      
CONECT  167  166  168  170  178                                                 
CONECT  168  167  169  193                                                      
CONECT  169  168                                                                
CONECT  170  167  171  179  180                                                 
CONECT  171  170  172  181  182                                                 
CONECT  172  171  173  183  184                                                 
CONECT  173  172  174  191                                                      
CONECT  174  173  175  176                                                      
CONECT  175  174  185  186                                                      
CONECT  176  174  187                                                           
CONECT  177  166  188  189  190                                                 
CONECT  178  167                                                                
CONECT  179  170                                                                
CONECT  180  170                                                                
CONECT  181  171                                                                
CONECT  182  171                                                                
CONECT  183  172                                                                
CONECT  184  172                                                                
CONECT  185  175                                                                
CONECT  186  175                                                                
CONECT  187  176                                                                
CONECT  188  177                                                                
CONECT  189  177                                                                
CONECT  190  177                                                                
CONECT  191  173                                                                
CONECT  193  168                                                                
CONECT  253  267                                                                
CONECT  262  263                                                                
CONECT  263  262  264  265                                                      
CONECT  264  263                                                                
CONECT  265  263  266  271  272                                                 
CONECT  266  265  267  268  273                                                 
CONECT  267  253  266  274                                                      
CONECT  268  266  269  275  276                                                 
CONECT  269  268  270  277                                                      
CONECT  270  269                                                                
CONECT  271  265                                                                
CONECT  272  265                                                                
CONECT  273  266                                                                
CONECT  274  267                                                                
CONECT  275  268                                                                
CONECT  276  268                                                                
CONECT  277  269                                                                
CONECT  313  328                                                                
CONECT  328  313  329  340                                                      
CONECT  329  328  330  339  341                                                 
CONECT  330  329  331  342  343                                                 
CONECT  331  330  332  344  345                                                 
CONECT  332  331  333  346  347                                                 
CONECT  333  332  334  348                                                      
CONECT  334  333  335  336                                                      
CONECT  335  334  349                                                           
CONECT  336  334  350  351                                                      
CONECT  337  338  339  355                                                      
CONECT  338  337                                                                
CONECT  339  329  337  352  353                                                 
CONECT  340  328                                                                
CONECT  341  329                                                                
CONECT  342  330                                                                
CONECT  343  330                                                                
CONECT  344  331                                                                
CONECT  345  331                                                                
CONECT  346  332                                                                
CONECT  347  332                                                                
CONECT  348  333                                                                
CONECT  349  335                                                                
CONECT  350  336                                                                
CONECT  351  336                                                                
CONECT  352  339                                                                
CONECT  353  339                                                                
CONECT  355  337                                                                
CONECT  364  517                                                                
CONECT  374  394                                                                
CONECT  394  374  395  406                                                      
CONECT  395  394  396  405  407                                                 
CONECT  396  395  397  408  409                                                 
CONECT  397  396  398  410  411                                                 
CONECT  398  397  399  412  413                                                 
CONECT  399  398  400  414                                                      
CONECT  400  399  401  402                                                      
CONECT  401  400  415                                                           
CONECT  402  400  416  417                                                      
CONECT  403  404  405  421                                                      
CONECT  404  403                                                                
CONECT  405  395  403  418  419                                                 
CONECT  406  394                                                                
CONECT  407  395                                                                
CONECT  408  396                                                                
CONECT  409  396                                                                
CONECT  410  397                                                                
CONECT  411  397                                                                
CONECT  412  398                                                                
CONECT  413  398                                                                
CONECT  414  399                                                                
CONECT  415  401                                                                
CONECT  416  402                                                                
CONECT  417  402                                                                
CONECT  418  405                                                                
CONECT  419  405                                                                
CONECT  421  403                                                                
CONECT  437  456                                                                
CONECT  444  517                                                                
CONECT  452  453  454  455  460                                                 
CONECT  453  452  461                                                           
CONECT  454  452  462  463  464                                                 
CONECT  455  452  456  457  465                                                 
CONECT  456  437  455  466                                                      
CONECT  457  455  458  467  468                                                 
CONECT  458  457  459  469                                                      
CONECT  459  458                                                                
CONECT  460  452                                                                
CONECT  461  453                                                                
CONECT  462  454                                                                
CONECT  463  454                                                                
CONECT  464  454                                                                
CONECT  465  455                                                                
CONECT  466  456                                                                
CONECT  467  457                                                                
CONECT  468  457                                                                
CONECT  469  458                                                                
CONECT  493  513                                                                
CONECT  513  493  514  515                                                      
CONECT  514  513                                                                
CONECT  515  513                                                                
CONECT  517   64  132  364  444                                                 
MASTER      267    0    9    1    2    0    1    6  257    1  168    3          
END