*HEADER   TRANSCRIPTION REGULATION                14-MAR-97   1ZUG    
*TITLE    STRUCTURE OF PHAGE 434 CRO PROTEIN, NMR, 20 STRUCTURES      
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: PHAGE 434 CRO PROTEIN;                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE 434;                    
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  4 EXPRESSION_SYSTEM_PLASMID: PRW74;                          
*SOURCE  5 OTHER_DETAILS: THE PLASMID WAS A GIFT FROM THE LABORATORY  
*SOURCE  6 OF PROFESSOR STEVE HARRISON (HARVARD UNIVERSITY)           
*KEYWDS   GENE REGULATING PROTEIN, TRANSCRIPTION REGULATION           
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   S.PADMANABHAN,M.A.JIMENEZ,C.GONZALEZ,                       
*AUTHOR  2 J.M.SANZ,G.GIMENEZ-GALLEGO,M.RICO                          
*REVDAT  1   07-JUL-97 1ZUG    0                                      



        DISTANCE CONSTRAINTS USED IN THE CALCULATION OF THE SOLUTION STRUCTURE
 OF PAGHE 434 CRO (S. PADMANABHAN, M.A. JIMENEZ, C. GONZALEZ, JM SANZ,
 G. GIMENEZ-GALLEGO AND M. RICO)  
         CHARACTERS IN COLUMMNS 10-40 INDICATE THE ATOMS INVOLVED IN THE
 CONSTRAINT. P MEANS PSEUDOATOMS FOR METHYLENE GROUPS. METHYL GROUPS ARE 
 REPRESENTED BY ITS CARBON ATOM AS WELL AS ORTHO AND META PROTONS OF PHE AND TYR.
 DISTANCE CONSTRAINTS ARE IN ANGSTROMS.



     Residue    1  MET

   HA   1 MET     PB   2 GLN  5.00 
   HA   1 MET     CG   3 THR  6.00 
   HA   1 MET     PB   7 ARG  6.00 
   PB   1 MET    Hb2   6 GLU  6.00 
   PB   1 MET    Hb3   6 GLU  6.00 
   PG   1 MET    Hb3   6 GLU  4.30 
   PG   1 MET     HA   7 ARG  5.90 



     Residue    2  GLN

   PB   2 GLN     HA   1 MET  5.00 
   HA   2 GLN      H   3 THR  3.00 
   PB   2 GLN   HE21   2 GLN  6.00 
   PB   2 GLN   HE22   2 GLN  6.00 
  Hg2   2 GLN    Ha2  64 GLY  8.50 
  Hg2   2 GLN    Ha3  64 GLY  8.50 
  Hg3   2 GLN    Ha2  64 GLY  8.50 
  Hg3   2 GLN    Ha3  64 GLY  8.50 
   PG   2 GLN      H   3 THR  5.88 
   PG   2 GLN     HA   3 THR  5.88 
   PG   2 GLN     PA  64 GLY  5.81 



     Residue    3  THR

   CG   3 THR     HA   1 MET  6.00 
    H   3 THR     HA   2 GLN  3.00 
    H   3 THR     PG   2 GLN  5.88 
   HA   3 THR     PG   2 GLN  5.88 
    H   3 THR     HB   3 THR  4.00 
    H   3 THR     CG   3 THR  4.00 
    H   3 THR      H   6 GLU  4.60 
    H   3 THR    Hb2   6 GLU  3.40 
   HA   3 THR      H   4 LEU  3.00 
   HA   3 THR      H   7 ARG  4.70 
   HB   3 THR      H   4 LEU  3.00 
   HB   3 THR      H   5 SER  5.00 
   CG   3 THR      H   4 LEU  6.00 
   CG   3 THR      H   7 ARG  6.00 



     Residue    4  LEU

    H   4 LEU     HA   3 THR  3.00 
    H   4 LEU     HB   3 THR  3.00 
    H   4 LEU     CG   3 THR  6.00 
    H   4 LEU    Hb2   4 LEU  4.00 
    H   4 LEU    Hb3   4 LEU  4.00 
    H   4 LEU     PB   4 LEU  3.43 
    H   4 LEU     HG   4 LEU  3.90 
    H   4 LEU    CD1   4 LEU  4.00 
    H   4 LEU    CD2   4 LEU  6.00 
    H   4 LEU      H   5 SER  3.10 
    H   4 LEU     PB   5 SER  5.58 
   HA   4 LEU    CD1   4 LEU  4.00 
   HA   4 LEU     HA  61 LEU  4.60 
   PB   4 LEU      H   5 SER  4.88 
   PB   4 LEU     PB   5 SER  7.76 
   HG   4 LEU    Hb2  62 GLN  5.00 
   HG   4 LEU    Hb3  62 GLN  5.00 
   HG   4 LEU     PB  62 GLN  4.40 
  CD1   4 LEU     HA  62 GLN  4.00 
  CD1   4 LEU     PG  62 GLN  6.88 



     Residue    5  SER

    H   5 SER     HB   3 THR  5.00 
    H   5 SER      H   4 LEU  3.10 
   PB   5 SER      H   4 LEU  5.58 
    H   5 SER     PB   4 LEU  4.88 
   PB   5 SER     PB   4 LEU  7.76 
    H   5 SER     PB   5 SER  3.54 
    H   5 SER      H   6 GLU  3.00 
    H   5 SER    Hb3   6 GLU  5.00 
    H   5 SER     PG   6 GLU  5.88 
   HA   5 SER    Hb2   5 SER  3.00 
   HA   5 SER    Hb3   5 SER  3.00 
   HA   5 SER      H   6 GLU  3.00 
   HA   5 SER      H   8 LEU  4.30 
   HA   5 SER      H   9 LYS  3.50 
   HA   5 SER    CG2  36 ILE  4.00 
   HA   5 SER      H  39 GLY  4.00 
   PB   5 SER    Hb3   8 LEU  5.88 
   PB   5 SER     HA  36 ILE  5.78 
   PB   5 SER     PG  37 GLU  6.88 
   PB   5 SER      H  39 GLY  5.88 



     Residue    6  GLU

  Hb2   6 GLU     PB   1 MET  6.00 
  Hb3   6 GLU     PB   1 MET  6.00 
  Hb3   6 GLU     PG   1 MET  4.30 
    H   6 GLU      H   3 THR  4.60 
  Hb2   6 GLU      H   3 THR  3.40 
    H   6 GLU      H   5 SER  3.00 
  Hb3   6 GLU      H   5 SER  5.00 
   PG   6 GLU      H   5 SER  5.88 
    H   6 GLU     HA   5 SER  3.00 
    H   6 GLU    Hb2   6 GLU  3.00 
    H   6 GLU    Hb3   6 GLU  4.00 
    H   6 GLU    Hg2   6 GLU  5.00 
    H   6 GLU    Hg3   6 GLU  5.00 
    H   6 GLU     PG   6 GLU  4.63 
    H   6 GLU      H   7 ARG  3.30 
    H   6 GLU     HA   7 ARG  5.00 
    H   6 GLU     PB   7 ARG  5.40 
    H   6 GLU      H   8 LEU  5.00 
   HA   6 GLU    Hb3   6 GLU  3.00 
   HA   6 GLU    Hg2   6 GLU  3.80 
   HA   6 GLU    Hg3   6 GLU  3.80 
   HA   6 GLU     PG   6 GLU  3.36 
   HA   6 GLU      H   9 LYS  4.30 
  Hb3   6 GLU      H   7 ARG  3.00 
  Hb3   6 GLU     PB   7 ARG  4.40 
  Hb3   6 GLU      H   9 LYS  6.00 



     Residue    7  ARG

   PB   7 ARG     HA   1 MET  6.00 
   HA   7 ARG     PG   1 MET  5.90 
    H   7 ARG     HA   3 THR  4.70 
    H   7 ARG     CG   3 THR  6.00 
    H   7 ARG      H   6 GLU  3.30 
   HA   7 ARG      H   6 GLU  5.00 
   PB   7 ARG      H   6 GLU  5.40 
    H   7 ARG    Hb3   6 GLU  3.00 
   PB   7 ARG    Hb3   6 GLU  4.40 
    H   7 ARG     PB   7 ARG  3.90 
    H   7 ARG      H   8 LEU  3.10 
    H   7 ARG    Hb3   8 LEU  5.00 
   HA   7 ARG     HA   8 LEU  5.00 
   HA   7 ARG     PB  11 ARG  5.50 
   PB   7 ARG     HE   7 ARG  6.00 
   PD   7 ARG     HA  60 TRP  5.68 



     Residue    8  LEU

    H   8 LEU     HA   5 SER  4.30 
  Hb3   8 LEU     PB   5 SER  5.88 
    H   8 LEU      H   6 GLU  5.00 
    H   8 LEU      H   7 ARG  3.10 
  Hb3   8 LEU      H   7 ARG  5.00 
   HA   8 LEU     HA   7 ARG  5.00 
    H   8 LEU    Hb2   8 LEU  3.00 
    H   8 LEU      H   9 LYS  3.10 
   HA   8 LEU    Hb3   8 LEU  3.00 
   HA   8 LEU    CD2  61 LEU  6.00 
  Hb2   8 LEU      H   9 LYS  4.00 
  Hb3   8 LEU      H   9 LYS  3.00 
  Hb3   8 LEU     HA   9 LYS  5.00 
   CG   8 LEU    HE3  60 TRP  6.87 
   CG   8 LEU      H  61 LEU  7.57 
   CG   8 LEU     HA  61 LEU  5.57 
   CG   8 LEU     PB  61 LEU  7.45 
   CG   8 LEU    CD1  61 LEU  8.57 



     Residue    9  LYS

    H   9 LYS     HA   5 SER  3.50 
    H   9 LYS     HA   6 GLU  4.30 
    H   9 LYS    Hb3   6 GLU  6.00 
    H   9 LYS      H   8 LEU  3.10 
    H   9 LYS    Hb2   8 LEU  4.00 
    H   9 LYS    Hb3   8 LEU  3.00 
   HA   9 LYS    Hb3   8 LEU  5.00 
   HA   9 LYS      H  12 ARG  4.00 
   HA   9 LYS     HE  12 ARG  5.00 



     Residue   10  LYS

    H  10 LYS      H  11 ARG  3.00 
    H  10 LYS     CD  13 ILE  6.00 
   HA  10 LYS      H  13 ILE  3.60 
   HA  10 LYS    PG1  13 ILE  3.90 
   HA  10 LYS     CD  13 ILE  5.70 



     Residue   11  ARG

   PB  11 ARG     HA   7 ARG  5.50 
    H  11 ARG      H  10 LYS  3.00 
    H  11 ARG     PB  11 ARG  3.60 
    H  11 ARG      H  12 ARG  3.00 
    H  11 ARG     CG  54 LEU  7.57 
   HA  11 ARG    Hd2  11 ARG  4.00 
   HA  11 ARG    Hd3  11 ARG  4.00 
   HA  11 ARG     PD  11 ARG  3.75 
   HA  11 ARG      H  13 ILE  4.00 
   HA  11 ARG     HB  13 ILE  4.50 
   HA  11 ARG      H  14 ALA  3.20 
   HA  11 ARG     CB  14 ALA  4.00 
   PB  11 ARG      H  12 ARG  4.00 
   PB  11 ARG     HA  12 ARG  5.10 
   PB  11 ARG     CG  54 LEU  8.57 
   PG  11 ARG      H  12 ARG  5.88 
   PG  11 ARG     HA  12 ARG  4.98 
   PG  11 ARG     PB  56 CYS  6.76 
   HE  11 ARG     CG  15 LEU  7.57 
   HE  11 ARG     PB  56 CYS  5.88 



     Residue   12  ARG

    H  12 ARG     HA   9 LYS  4.00 
   HE  12 ARG     HA   9 LYS  5.00 
    H  12 ARG      H  11 ARG  3.00 
    H  12 ARG     PB  11 ARG  4.00 
   HA  12 ARG     PB  11 ARG  5.10 
    H  12 ARG     PG  11 ARG  5.88 
   HA  12 ARG     PG  11 ARG  4.98 
    H  12 ARG    Hb2  12 ARG  4.00 
    H  12 ARG    Hb3  12 ARG  4.00 
    H  12 ARG     PB  12 ARG  3.43 
    H  12 ARG     PG  12 ARG  5.88 
    H  12 ARG      H  13 ILE  3.10 
    H  12 ARG    CD1  54 LEU  6.00 
    H  12 ARG    CD2  54 LEU  6.00 
   HA  12 ARG     PG  12 ARG  3.60 
   HA  12 ARG      H  15 LEU  4.40 
   HA  12 ARG     CG  15 LEU  6.67 
   HA  12 ARG    CD1  54 LEU  6.00 
   HA  12 ARG    CD2  54 LEU  6.00 
   HA  12 ARG     CG  54 LEU  4.85 
  Hb2  12 ARG      H  13 ILE  4.00 
  Hb3  12 ARG      H  13 ILE  4.00 
   PB  12 ARG     HE  12 ARG  5.88 
   PB  12 ARG      H  13 ILE  3.43 
   PB  12 ARG     PB  15 LEU  6.88 
   PB  12 ARG     HA  19 GLN  5.88 
   PB  12 ARG     PB  22 LEU  6.88 
   PB  12 ARG    CD2  22 LEU  6.88 
   PG  12 ARG     HA  17 MET  5.88 
   PG  12 ARG     PB  22 LEU  6.58 
  Hd2  12 ARG     HA  19 GLN  4.90 
  Hd2  12 ARG    CD2  22 LEU  6.00 
  Hd3  12 ARG     HA  19 GLN  4.90 
  Hd3  12 ARG    CD2  22 LEU  6.00 
   PD  12 ARG     PB  17 MET  6.75 
   PD  12 ARG     HA  19 GLN  4.57 
   PD  12 ARG     PG  19 GLN  5.55 
   PD  12 ARG    CD2  22 LEU  5.55 
   PD  12 ARG    CG2  33 ILE  6.88 
   HE  12 ARG     HA  19 GLN  5.00 
   HE  12 ARG    CD2  22 LEU  6.00 
   HE  12 ARG    CG2  33 ILE  6.00 



     Residue   13  ILE

   CD  13 ILE      H  10 LYS  6.00 
    H  13 ILE     HA  10 LYS  3.60 
  PG1  13 ILE     HA  10 LYS  3.90 
   CD  13 ILE     HA  10 LYS  5.70 
    H  13 ILE     HA  11 ARG  4.00 
   HB  13 ILE     HA  11 ARG  4.50 
    H  13 ILE      H  12 ARG  3.10 
    H  13 ILE    Hb2  12 ARG  4.00 
    H  13 ILE    Hb3  12 ARG  4.00 
    H  13 ILE     PB  12 ARG  3.43 
    H  13 ILE     HB  13 ILE  3.00 
    H  13 ILE   HG12  13 ILE  3.80 
    H  13 ILE   HG11  13 ILE  3.80 
    H  13 ILE    PG1  13 ILE  3.31 
    H  13 ILE     CD  13 ILE  4.40 
    H  13 ILE      H  14 ALA  3.00 
   HA  13 ILE     HB  13 ILE  3.00 
   HA  13 ILE   HG12  13 ILE  3.70 
   HA  13 ILE   HG11  13 ILE  3.70 
   HA  13 ILE    PG1  13 ILE  3.35 
   HA  13 ILE      H  17 MET  3.80 
  CG2  13 ILE      H  14 ALA  5.00 
  CG2  13 ILE     HA  14 ALA  5.00 
  CG2  13 ILE      H  17 MET  6.00 
  PG1  13 ILE      H  14 ALA  5.58 



     Residue   14  ALA

    H  14 ALA     HA  11 ARG  3.20 
   CB  14 ALA     HA  11 ARG  4.00 
    H  14 ALA      H  13 ILE  3.00 
    H  14 ALA    CG2  13 ILE  5.00 
   HA  14 ALA    CG2  13 ILE  5.00 
    H  14 ALA    PG1  13 ILE  5.58 
    H  14 ALA      H  15 LEU  3.00 
   HA  14 ALA      H  16 LYS  4.50 
   CB  14 ALA      H  15 LEU  4.00 



     Residue   15  LEU

   CG  15 LEU     HE  11 ARG  7.57 
    H  15 LEU     HA  12 ARG  4.40 
   CG  15 LEU     HA  12 ARG  6.67 
   PB  15 LEU     PB  12 ARG  6.88 
    H  15 LEU      H  14 ALA  3.00 
    H  15 LEU     CB  14 ALA  4.00 
    H  15 LEU    CD1  15 LEU  6.00 
    H  15 LEU    CD2  15 LEU  6.00 
    H  15 LEU     CG  15 LEU  5.29 
    H  15 LEU      H  16 LYS  3.00 
   HA  15 LEU     PB  16 LYS  4.88 
   PB  15 LEU      H  16 LYS  4.10 
   HG  15 LEU     PB  55 ASN  5.88 
   CG  15 LEU     PB  17 MET  8.45 
   CG  15 LEU     PB  55 ASN  8.45 
   CG  15 LEU    ND2  55 ASN  7.54 



     Residue   16  LYS

    H  16 LYS     HA  14 ALA  4.50 
    H  16 LYS      H  15 LEU  3.00 
   PB  16 LYS     HA  15 LEU  4.88 
    H  16 LYS     PB  15 LEU  4.10 
    H  16 LYS     PB  16 LYS  3.81 
    H  16 LYS     PG  16 LYS  4.80 
    H  16 LYS      H  17 MET  3.00 
   HA  16 LYS      H  17 MET  3.00 
   HA  16 LYS     PB  17 MET  5.88 
   PG  16 LYS      H  17 MET  6.00 



     Residue   17  MET

   HA  17 MET     PG  12 ARG  5.88 
   PB  17 MET     PD  12 ARG  6.75 
    H  17 MET     HA  13 ILE  3.80 
    H  17 MET    CG2  13 ILE  6.00 
   PB  17 MET     CG  15 LEU  8.45 
    H  17 MET      H  16 LYS  3.00 
    H  17 MET     HA  16 LYS  3.00 
   PB  17 MET     HA  16 LYS  5.88 
    H  17 MET     PG  16 LYS  6.00 
    H  17 MET    Hb2  17 MET  3.00 
    H  17 MET    Hb3  17 MET  3.00 
    H  17 MET     PG  17 MET  6.00 
   HA  17 MET      H  18 THR  3.00 
   HA  17 MET     CG  18 THR  6.00 
   HA  17 MET    Hb2  21 GLU  4.30 
   HA  17 MET    Hb3  21 GLU  4.30 
  Hb2  17 MET      H  18 THR  4.50 
  Hb3  17 MET      H  18 THR  4.50 
   PB  17 MET      H  18 THR  4.03 
   PB  17 MET     PG  21 GLU  6.88 
   PB  17 MET      H  22 LEU  5.88 
   PG  17 MET     PB  22 LEU  7.00 



     Residue   18  THR

    H  18 THR     HA  17 MET  3.00 
   CG  18 THR     HA  17 MET  6.00 
    H  18 THR    Hb2  17 MET  4.50 
    H  18 THR    Hb3  17 MET  4.50 
    H  18 THR     PB  17 MET  4.03 
    H  18 THR     CG  18 THR  4.00 
    H  18 THR      H  21 GLU  4.50 
    H  18 THR     HA  21 GLU  4.90 
    H  18 THR     PB  22 LEU  5.80 
   HA  18 THR      H  19 GLN  3.00 
   HA  18 THR      H  20 THR  5.00 
   HA  18 THR     PB  21 GLU  5.88 
   CG  18 THR      H  19 GLN  6.00 
   CG  18 THR      H  20 THR  6.00 
   CG  18 THR      H  21 GLU  6.00 



     Residue   19  GLN

   HA  19 GLN     PB  12 ARG  5.88 
   HA  19 GLN    Hd2  12 ARG  4.90 
   HA  19 GLN    Hd3  12 ARG  4.90 
   HA  19 GLN     PD  12 ARG  4.57 
   PG  19 GLN     PD  12 ARG  5.55 
   HA  19 GLN     HE  12 ARG  5.00 
    H  19 GLN     HA  18 THR  3.00 
    H  19 GLN     CG  18 THR  6.00 
    H  19 GLN    Hb2  19 GLN  3.00 
    H  19 GLN    Hb3  19 GLN  3.60 
    H  19 GLN    Hg2  19 GLN  4.60 
    H  19 GLN    Hg3  19 GLN  4.60 
    H  19 GLN     PG  19 GLN  4.13 
    H  19 GLN      H  20 THR  3.40 
    H  19 GLN    NE2  30 GLN  5.97 
   HA  19 GLN    Hb3  19 GLN  3.00 
   HA  19 GLN    Hg2  19 GLN  4.20 
   HA  19 GLN    Hg3  19 GLN  4.20 
   HA  19 GLN     PG  19 GLN  4.01 
   HA  19 GLN      H  20 THR  3.60 
   HA  19 GLN      H  22 LEU  3.80 
   HA  19 GLN    CD2  22 LEU  6.00 
  Hb2  19 GLN      H  20 THR  3.00 
  Hb2  19 GLN      H  21 GLU  5.00 
  Hb2  19 GLN    NE2  34 GLN  5.97 
  Hb3  19 GLN      H  22 LEU  5.00 
  Hb3  19 GLN    NE2  30 GLN  5.97 
  Hg2  19 GLN    CG2  33 ILE  4.00 
  Hg3  19 GLN    CG2  33 ILE  4.00 
   PG  19 GLN      H  20 THR  5.88 
   PG  19 GLN     HG  22 LEU  4.68 
   PG  19 GLN    CD1  22 LEU  6.88 
   PG  19 GLN    CD2  22 LEU  4.17 
   PG  19 GLN      H  37 GLU  6.88 
  NE2  19 GLN     HB  33 ILE  5.97 
  NE2  19 GLN     HA  34 GLN  3.96 
  NE2  19 GLN     PG  34 GLN  6.84 
  NE2  19 GLN    NE2  34 GLN  6.93 
  NE2  19 GLN      H  37 GLU  5.97 
 HE21  19 GLN    CG2  33 ILE  6.00 
 HE21  19 GLN     HA  34 GLN  4.10 
 HE21  19 GLN    Hb2  37 GLU  6.75 
 HE21  19 GLN    Hb3  37 GLU  6.75 
 HE21  19 GLN     PG  37 GLU  6.00 
 HE22  19 GLN    CG2  33 ILE  6.00 
 HE22  19 GLN     HA  34 GLN  4.10 
 HE22  19 GLN    Hb2  37 GLU  6.75 
 HE22  19 GLN    Hb3  37 GLU  6.75 
 HE22  19 GLN     PG  37 GLU  6.00 



     Residue   20  THR

    H  20 THR     HA  18 THR  5.00 
    H  20 THR     CG  18 THR  6.00 
    H  20 THR      H  19 GLN  3.40 
    H  20 THR     HA  19 GLN  3.60 
    H  20 THR    Hb2  19 GLN  3.00 
    H  20 THR     PG  19 GLN  5.88 
    H  20 THR     HB  20 THR  3.00 
    H  20 THR      H  21 GLU  3.00 
    H  20 THR     PG  30 GLN  3.88 
   HA  20 THR     HB  20 THR  3.00 
   HA  20 THR      H  21 GLU  3.30 
   HA  20 THR      H  22 LEU  4.70 
   HA  20 THR      H  23 ALA  4.00 
   HA  20 THR     HA  23 ALA  5.00 
   HA  20 THR     CB  23 ALA  4.00 
   HA  20 THR      H  24 THR  5.00 
   HA  20 THR    Hb2  30 GLN  3.90 
   HA  20 THR     PG  30 GLN  4.38 
   HB  20 THR     PG  30 GLN  4.88 
   CG  20 THR      H  21 GLU  4.00 
   CG  20 THR    NE2  30 GLN  6.97 



     Residue   21  GLU

  Hb2  21 GLU     HA  17 MET  4.30 
  Hb3  21 GLU     HA  17 MET  4.30 
   PG  21 GLU     PB  17 MET  6.88 
    H  21 GLU      H  18 THR  4.50 
   HA  21 GLU      H  18 THR  4.90 
   PB  21 GLU     HA  18 THR  5.88 
    H  21 GLU     CG  18 THR  6.00 
    H  21 GLU    Hb2  19 GLN  5.00 
    H  21 GLU      H  20 THR  3.00 
    H  21 GLU     HA  20 THR  3.30 
    H  21 GLU     CG  20 THR  4.00 
    H  21 GLU    Hb2  21 GLU  3.00 
    H  21 GLU    Hb3  21 GLU  3.00 
    H  21 GLU     PG  21 GLU  5.90 
    H  21 GLU      H  22 LEU  3.00 
    H  21 GLU     PB  22 LEU  5.20 
    H  21 GLU     HB  24 THR  5.00 
   HA  21 GLU    Hb2  21 GLU  3.00 
   HA  21 GLU    Hb3  21 GLU  3.00 
   HA  21 GLU      H  24 THR  3.90 
   HA  21 GLU     HB  24 THR  3.10 
  Hb2  21 GLU      H  22 LEU  3.00 
  Hb3  21 GLU      H  22 LEU  3.00 
   PG  21 GLU      H  22 LEU  6.00 



     Residue   22  LEU

   PB  22 LEU     PB  12 ARG  6.88 
  CD2  22 LEU     PB  12 ARG  6.88 
   PB  22 LEU     PG  12 ARG  6.58 
  CD2  22 LEU    Hd2  12 ARG  6.00 
  CD2  22 LEU    Hd3  12 ARG  6.00 
  CD2  22 LEU     PD  12 ARG  5.55 
  CD2  22 LEU     HE  12 ARG  6.00 
    H  22 LEU     PB  17 MET  5.88 
   PB  22 LEU     PG  17 MET  7.00 
   PB  22 LEU      H  18 THR  5.80 
    H  22 LEU     HA  19 GLN  3.80 
  CD2  22 LEU     HA  19 GLN  6.00 
    H  22 LEU    Hb3  19 GLN  5.00 
   HG  22 LEU     PG  19 GLN  4.68 
  CD1  22 LEU     PG  19 GLN  6.88 
  CD2  22 LEU     PG  19 GLN  4.17 
    H  22 LEU     HA  20 THR  4.70 
    H  22 LEU      H  21 GLU  3.00 
   PB  22 LEU      H  21 GLU  5.20 
    H  22 LEU    Hb2  21 GLU  3.00 
    H  22 LEU    Hb3  21 GLU  3.00 
    H  22 LEU     PG  21 GLU  6.00 
    H  22 LEU     PB  22 LEU  3.60 
    H  22 LEU     HG  22 LEU  4.00 
    H  22 LEU    CD1  22 LEU  6.00 
    H  22 LEU    CD2  22 LEU  4.20 
    H  22 LEU      H  23 ALA  3.00 
    H  22 LEU     CB  23 ALA  5.00 
   HA  22 LEU     HG  22 LEU  3.20 
   HA  22 LEU    CD1  22 LEU  4.00 
   HA  22 LEU    CD2  22 LEU  6.00 
   HA  22 LEU      H  23 ALA  3.40 
   HA  22 LEU    Hb2  25 LYS  4.00 
   HA  22 LEU      H  26 ALA  4.60 
   PB  22 LEU      H  23 ALA  4.00 
   PB  22 LEU     CD  33 ILE  7.00 
   PB  22 LEU    PG1  50 ILE  6.88 
   HG  22 LEU     CD  33 ILE  4.00 
   HG  22 LEU     PB  54 LEU  5.88 
  CD1  22 LEU      H  23 ALA  6.00 
  CD1  22 LEU     CB  26 ALA  5.00 
  CD1  22 LEU     CD  33 ILE  7.00 
  CD1  22 LEU     HA  50 ILE  6.00 
  CD1  22 LEU    CG2  50 ILE  6.10 
  CD1  22 LEU      H  53 ALA  6.00 
  CD1  22 LEU      H  54 LEU  6.00 
  CD1  22 LEU     PB  54 LEU  6.88 
  CD1  22 LEU     CG  54 LEU  6.57 
  CD2  22 LEU      H  23 ALA  4.90 
  CD2  22 LEU     HA  23 ALA  6.00 
  CD2  22 LEU      H  26 ALA  6.00 
  CD2  22 LEU    PG1  33 ILE  4.88 
  CD2  22 LEU     CD  33 ILE  5.00 
  CD2  22 LEU    CG2  50 ILE  6.00 
  CD2  22 LEU    PG1  50 ILE  6.88 



     Residue   23  ALA

    H  23 ALA     HA  20 THR  4.00 
   HA  23 ALA     HA  20 THR  5.00 
   CB  23 ALA     HA  20 THR  4.00 
    H  23 ALA      H  22 LEU  3.00 
   CB  23 ALA      H  22 LEU  5.00 
    H  23 ALA     HA  22 LEU  3.40 
    H  23 ALA     PB  22 LEU  4.00 
    H  23 ALA    CD1  22 LEU  6.00 
    H  23 ALA    CD2  22 LEU  4.90 
   HA  23 ALA    CD2  22 LEU  6.00 
    H  23 ALA      H  24 THR  3.10 
    H  23 ALA     HB  24 THR  5.00 
    H  23 ALA    PG1  33 ILE  4.88 
    H  23 ALA     CD  33 ILE  6.00 
   HA  23 ALA      H  24 THR  3.60 
   HA  23 ALA      H  26 ALA  4.40 
   HA  23 ALA      H  27 GLY  5.00 
   HA  23 ALA      H  28 VAL  3.70 
   CB  23 ALA      H  24 THR  4.00 
   CB  23 ALA     HB  24 THR  6.00 
   CB  23 ALA      H  25 LYS  6.00 
   CB  23 ALA      H  28 VAL  6.00 
   CB  23 ALA     CB  28 VAL  6.56 
   CB  23 ALA     HA  29 LYS  5.50 
   CB  23 ALA     HA  30 GLN  4.00 
   CB  23 ALA    Hb2  30 GLN  5.00 
   CB  23 ALA     PG  30 GLN  6.88 
   CB  23 ALA     PB  32 SER  6.88 
   CB  23 ALA      H  33 ILE  6.00 



     Residue   24  THR

    H  24 THR     HA  20 THR  5.00 
   HB  24 THR      H  21 GLU  5.00 
    H  24 THR     HA  21 GLU  3.90 
   HB  24 THR     HA  21 GLU  3.10 
    H  24 THR      H  23 ALA  3.10 
   HB  24 THR      H  23 ALA  5.00 
    H  24 THR     HA  23 ALA  3.60 
    H  24 THR     CB  23 ALA  4.00 
   HB  24 THR     CB  23 ALA  6.00 
    H  24 THR     HB  24 THR  3.00 
    H  24 THR     CG  24 THR  4.00 
    H  24 THR      H  25 LYS  3.00 
   HB  24 THR      H  25 LYS  3.00 
   CG  24 THR      H  25 LYS  4.00 



     Residue   25  LYS

  Hb2  25 LYS     HA  22 LEU  4.00 
    H  25 LYS     CB  23 ALA  6.00 
    H  25 LYS      H  24 THR  3.00 
    H  25 LYS     HB  24 THR  3.00 
    H  25 LYS     CG  24 THR  4.00 
    H  25 LYS    Hb2  25 LYS  3.00 
    H  25 LYS      H  26 ALA  3.00 
    H  25 LYS      H  27 GLY  4.60 
   HA  25 LYS    Hb2  25 LYS  3.00 
   HA  25 LYS    Hb3  25 LYS  3.00 
   HA  25 LYS      H  26 ALA  3.50 
  Hb2  25 LYS      H  26 ALA  4.00 
  Hb3  25 LYS      H  26 ALA  3.00 
  Hb3  25 LYS     CB  53 ALA  4.00 



     Residue   26  ALA

    H  26 ALA     HA  22 LEU  4.60 
   CB  26 ALA    CD1  22 LEU  5.00 
    H  26 ALA    CD2  22 LEU  6.00 
    H  26 ALA     HA  23 ALA  4.40 
    H  26 ALA      H  25 LYS  3.00 
    H  26 ALA     HA  25 LYS  3.50 
    H  26 ALA    Hb2  25 LYS  4.00 
    H  26 ALA    Hb3  25 LYS  3.00 
    H  26 ALA      H  27 GLY  3.00 
    H  26 ALA     PA  27 GLY  5.18 
    H  26 ALA      H  28 VAL  4.30 
    H  26 ALA     CB  53 ALA  4.00 
   HA  26 ALA      H  27 GLY  3.60 
   HA  26 ALA     PB  49 GLU  5.88 
   HA  26 ALA     HA  53 ALA  4.40 
   CB  26 ALA      H  28 VAL  6.00 
   CB  26 ALA     CB  28 VAL  6.56 
   CB  26 ALA     CD  33 ILE  7.00 
   CB  26 ALA     PB  49 GLU  6.88 
   CB  26 ALA     HA  50 ILE  4.00 
   CB  26 ALA    CG2  50 ILE  7.00 
   CB  26 ALA   HG12  50 ILE  4.00 
   CB  26 ALA   HG11  50 ILE  4.00 
   CB  26 ALA     HA  53 ALA  6.00 
   CB  26 ALA     CB  53 ALA  5.00 



     Residue   27  GLY

    H  27 GLY     HA  23 ALA  5.00 
    H  27 GLY      H  25 LYS  4.60 
    H  27 GLY      H  26 ALA  3.00 
   PA  27 GLY      H  26 ALA  5.18 
    H  27 GLY     HA  26 ALA  3.60 
    H  27 GLY      H  28 VAL  3.00 
    H  27 GLY     CB  28 VAL  7.56 
   PA  27 GLY      H  28 VAL  3.22 



     Residue   28  VAL

    H  28 VAL     HA  23 ALA  3.70 
    H  28 VAL     CB  23 ALA  6.00 
   CB  28 VAL     CB  23 ALA  6.56 
    H  28 VAL      H  26 ALA  4.30 
    H  28 VAL     CB  26 ALA  6.00 
   CB  28 VAL     CB  26 ALA  6.56 
    H  28 VAL      H  27 GLY  3.00 
   CB  28 VAL      H  27 GLY  7.56 
    H  28 VAL     PA  27 GLY  3.22 
    H  28 VAL     HB  28 VAL  3.30 
    H  28 VAL     CB  28 VAL  4.20 
   HA  28 VAL     HB  28 VAL  3.00 
   HA  28 VAL      H  29 LYS  3.00 
   HB  28 VAL      H  29 LYS  3.00 
   HB  28 VAL    PG1  33 ILE  5.88 
  CG1  28 VAL      H  29 LYS  5.80 
  CG1  28 VAL    Hb2  32 SER  7.75 
  CG1  28 VAL    Hb3  32 SER  7.75 
  CG1  28 VAL   HG12  33 ILE  9.12 
  CG1  28 VAL   HG11  33 ILE  9.12 
  CG2  28 VAL      H  29 LYS  5.80 
  CG2  28 VAL    Hb2  32 SER  7.75 
  CG2  28 VAL    Hb3  32 SER  7.75 
  CG2  28 VAL   HG12  33 ILE  9.12 
  CG2  28 VAL   HG11  33 ILE  9.12 
   CB  28 VAL      H  29 LYS  5.38 
   CB  28 VAL     PB  32 SER  6.70 
   CB  28 VAL    PG1  33 ILE  7.51 
   CB  28 VAL    Hb2  46 PHE  7.56 
   CB  28 VAL    Hb3  46 PHE  7.56 
   CB  28 VAL     CG  46 PHE  9.36 
   CB  28 VAL     CZ  46 PHE  9.76 
   CB  28 VAL     PB  49 GLU  8.44 
   CB  28 VAL      H  50 ILE  7.56 
   CB  28 VAL    PG1  50 ILE  8.44 



     Residue   29  LYS

   HA  29 LYS     CB  23 ALA  5.50 
    H  29 LYS     HA  28 VAL  3.00 
    H  29 LYS     HB  28 VAL  3.00 
    H  29 LYS    CG1  28 VAL  5.80 
    H  29 LYS    CG2  28 VAL  5.80 
    H  29 LYS     CB  28 VAL  5.38 
    H  29 LYS     PB  29 LYS  3.60 
    H  29 LYS      H  32 SER  5.00 
   HA  29 LYS      H  30 GLN  3.00 
   HA  29 LYS     HA  30 GLN  4.00 
   HA  29 LYS    Hb2  30 GLN  5.00 
   PB  29 LYS      H  32 SER  5.10 



     Residue   30  GLN

  NE2  30 GLN      H  19 GLN  5.97 
  NE2  30 GLN    Hb3  19 GLN  5.97 
   PG  30 GLN      H  20 THR  3.88 
  Hb2  30 GLN     HA  20 THR  3.90 
   PG  30 GLN     HA  20 THR  4.38 
   PG  30 GLN     HB  20 THR  4.88 
  NE2  30 GLN     CG  20 THR  6.97 
   HA  30 GLN     CB  23 ALA  4.00 
  Hb2  30 GLN     CB  23 ALA  5.00 
   PG  30 GLN     CB  23 ALA  6.88 
    H  30 GLN     HA  29 LYS  3.00 
   HA  30 GLN     HA  29 LYS  4.00 
  Hb2  30 GLN     HA  29 LYS  5.00 
    H  30 GLN    Hb2  30 GLN  3.00 
    H  30 GLN      H  31 GLN  4.70 
   HA  30 GLN    Hb2  30 GLN  3.00 
   HA  30 GLN    Hg2  30 GLN  4.20 
   HA  30 GLN    Hg3  30 GLN  4.20 
   HA  30 GLN     PG  30 GLN  3.72 
   HA  30 GLN    NE2  30 GLN  5.97 
   HA  30 GLN      H  33 ILE  3.70 
   HA  30 GLN   HG12  33 ILE  5.00 
   HA  30 GLN   HG11  33 ILE  5.00 
   HA  30 GLN     CD  33 ILE  6.00 
  Hb2  30 GLN    Hg2  30 GLN  3.00 
  Hb2  30 GLN    Hg3  30 GLN  3.00 
   PB  30 GLN      H  31 GLN  3.90 
  NE2  30 GLN     PG  34 GLN  6.84 



     Residue   31  GLN

    H  31 GLN      H  30 GLN  4.70 
    H  31 GLN     PB  30 GLN  3.90 
    H  31 GLN    Hb2  31 GLN  4.00 
    H  31 GLN    Hb3  31 GLN  4.00 
    H  31 GLN      H  32 SER  3.30 
    H  31 GLN      H  33 ILE  5.00 
    H  31 GLN     PB  34 GLN  5.90 
    H  31 GLN     PG  34 GLN  5.88 
   HA  31 GLN      H  34 GLN  4.00 
   HA  31 GLN     PG  34 GLN  4.08 
   HA  31 GLN      H  35 LEU  5.00 
   PB  31 GLN      H  32 SER  4.00 



     Residue   32  SER

   PB  32 SER     CB  23 ALA  6.88 
  Hb2  32 SER    CG1  28 VAL  7.75 
  Hb3  32 SER    CG1  28 VAL  7.75 
  Hb2  32 SER    CG2  28 VAL  7.75 
  Hb3  32 SER    CG2  28 VAL  7.75 
   PB  32 SER     CB  28 VAL  6.70 
    H  32 SER      H  29 LYS  5.00 
    H  32 SER     PB  29 LYS  5.10 
    H  32 SER      H  31 GLN  3.30 
    H  32 SER     PB  31 GLN  4.00 
    H  32 SER    Hb2  32 SER  3.00 
    H  32 SER    Hb3  32 SER  3.00 
    H  32 SER      H  33 ILE  3.00 
    H  32 SER    PG1  33 ILE  5.88 
    H  32 SER     CD  33 ILE  6.00 
    H  32 SER      H  34 GLN  4.60 
    H  32 SER     PG  34 GLN  5.88 
   HA  32 SER    Hb2  32 SER  3.00 
   HA  32 SER    Hb3  32 SER  3.00 
   HA  32 SER      H  33 ILE  3.60 
   HA  32 SER     PB  35 LEU  4.50 
  Hb2  32 SER      H  33 ILE  3.50 
  Hb2  32 SER    PG1  33 ILE  5.88 
  Hb3  32 SER      H  33 ILE  3.50 
  Hb3  32 SER    PG1  33 ILE  5.88 
   PB  32 SER      H  33 ILE  3.14 
   PB  32 SER     HA  33 ILE  5.88 
   PB  32 SER    PG1  33 ILE  5.52 
   PB  32 SER     CD  33 ILE  6.88 



     Residue   33  ILE

  CG2  33 ILE     PD  12 ARG  6.88 
  CG2  33 ILE     HE  12 ARG  6.00 
  CG2  33 ILE    Hg2  19 GLN  4.00 
  CG2  33 ILE    Hg3  19 GLN  4.00 
   HB  33 ILE    NE2  19 GLN  5.97 
  CG2  33 ILE   HE21  19 GLN  6.00 
  CG2  33 ILE   HE22  19 GLN  6.00 
   CD  33 ILE     PB  22 LEU  7.00 
   CD  33 ILE     HG  22 LEU  4.00 
   CD  33 ILE    CD1  22 LEU  7.00 
  PG1  33 ILE    CD2  22 LEU  4.88 
   CD  33 ILE    CD2  22 LEU  5.00 
  PG1  33 ILE      H  23 ALA  4.88 
   CD  33 ILE      H  23 ALA  6.00 
    H  33 ILE     CB  23 ALA  6.00 
   CD  33 ILE     CB  26 ALA  7.00 
  PG1  33 ILE     HB  28 VAL  5.88 
 HG12  33 ILE    CG1  28 VAL  9.12 
 HG11  33 ILE    CG1  28 VAL  9.12 
 HG12  33 ILE    CG2  28 VAL  9.12 
 HG11  33 ILE    CG2  28 VAL  9.12 
  PG1  33 ILE     CB  28 VAL  7.51 
    H  33 ILE     HA  30 GLN  3.70 
 HG12  33 ILE     HA  30 GLN  5.00 
 HG11  33 ILE     HA  30 GLN  5.00 
   CD  33 ILE     HA  30 GLN  6.00 
    H  33 ILE      H  31 GLN  5.00 
    H  33 ILE      H  32 SER  3.00 
  PG1  33 ILE      H  32 SER  5.88 
   CD  33 ILE      H  32 SER  6.00 
    H  33 ILE     HA  32 SER  3.60 
    H  33 ILE    Hb2  32 SER  3.50 
  PG1  33 ILE    Hb2  32 SER  5.88 
    H  33 ILE    Hb3  32 SER  3.50 
  PG1  33 ILE    Hb3  32 SER  5.88 
    H  33 ILE     PB  32 SER  3.14 
   HA  33 ILE     PB  32 SER  5.88 
  PG1  33 ILE     PB  32 SER  5.52 
   CD  33 ILE     PB  32 SER  6.88 
    H  33 ILE     HB  33 ILE  3.00 
    H  33 ILE   HG12  33 ILE  4.40 
    H  33 ILE   HG11  33 ILE  4.40 
    H  33 ILE    PG1  33 ILE  3.92 
    H  33 ILE     CD  33 ILE  4.80 
    H  33 ILE      H  34 GLN  3.00 
   HA  33 ILE     HB  33 ILE  3.00 
   HA  33 ILE   HG12  33 ILE  3.90 
   HA  33 ILE   HG11  33 ILE  3.90 
   HA  33 ILE     CD  33 ILE  4.00 
   HA  33 ILE      H  34 GLN  3.40 
   HA  33 ILE      H  36 ILE  3.70 
   HA  33 ILE   HG12  36 ILE  4.00 
   HA  33 ILE   HG11  36 ILE  4.00 
   HA  33 ILE    PG1  36 ILE  3.43 
   HA  33 ILE     CD  36 ILE  4.00 
   HA  33 ILE     CD  50 ILE  4.00 
   HB  33 ILE      H  34 GLN  3.00 
   HB  33 ILE     HA  34 GLN  5.00 
  CG2  33 ILE      H  34 GLN  5.00 
  CG2  33 ILE     PG  34 GLN  6.48 
  CG2  33 ILE     CD  50 ILE  7.00 
  PG1  33 ILE      H  34 GLN  5.88 
  PG1  33 ILE     HZ  46 PHE  5.88 
  PG1  33 ILE     CD  50 ILE  4.88 
   CD  33 ILE      H  34 GLN  6.00 
   CD  33 ILE    CG2  50 ILE  5.00 
   CD  33 ILE     CD  50 ILE  5.00 



     Residue   34  GLN

  NE2  34 GLN    Hb2  19 GLN  5.97 
   HA  34 GLN    NE2  19 GLN  3.96 
   PG  34 GLN    NE2  19 GLN  6.84 
  NE2  34 GLN    NE2  19 GLN  6.93 
   HA  34 GLN   HE21  19 GLN  4.10 
   HA  34 GLN   HE22  19 GLN  4.10 
   PG  34 GLN    NE2  30 GLN  6.84 
   PB  34 GLN      H  31 GLN  5.90 
   PG  34 GLN      H  31 GLN  5.88 
    H  34 GLN     HA  31 GLN  4.00 
   PG  34 GLN     HA  31 GLN  4.08 
    H  34 GLN      H  32 SER  4.60 
   PG  34 GLN      H  32 SER  5.88 
    H  34 GLN      H  33 ILE  3.00 
    H  34 GLN     HA  33 ILE  3.40 
    H  34 GLN     HB  33 ILE  3.00 
   HA  34 GLN     HB  33 ILE  5.00 
    H  34 GLN    CG2  33 ILE  5.00 
   PG  34 GLN    CG2  33 ILE  6.48 
    H  34 GLN    PG1  33 ILE  5.88 
    H  34 GLN     CD  33 ILE  6.00 
    H  34 GLN    Hb2  34 GLN  3.00 
    H  34 GLN    Hg2  34 GLN  5.00 
    H  34 GLN    Hg3  34 GLN  5.00 
    H  34 GLN     PG  34 GLN  4.63 
    H  34 GLN      H  35 LEU  3.00 
   HA  34 GLN    Hb2  34 GLN  3.00 
   HA  34 GLN    Hb2  37 GLU  3.00 
   HA  34 GLN    Hb3  37 GLU  3.00 
   HA  34 GLN      H  38 ALA  4.00 
  Hb2  34 GLN      H  35 LEU  3.00 
  Hb2  34 GLN     CB  38 ALA  5.00 
  Hb3  34 GLN     HA  35 LEU  5.00 
   PG  34 GLN      H  35 LEU  5.88 
   PG  34 GLN     PB  35 LEU  6.88 
  NE2  34 GLN     CB  38 ALA  6.97 



     Residue   35  LEU

    H  35 LEU     HA  31 GLN  5.00 
   PB  35 LEU     HA  32 SER  4.50 
    H  35 LEU      H  34 GLN  3.00 
    H  35 LEU    Hb2  34 GLN  3.00 
   HA  35 LEU    Hb3  34 GLN  5.00 
    H  35 LEU     PG  34 GLN  5.88 
   PB  35 LEU     PG  34 GLN  6.88 
    H  35 LEU     PB  35 LEU  3.60 
    H  35 LEU    CD1  35 LEU  6.00 
    H  35 LEU    CD2  35 LEU  6.00 
    H  35 LEU     CG  35 LEU  4.85 
    H  35 LEU      H  36 ILE  3.10 
   HA  35 LEU    CD1  35 LEU  4.00 
   HA  35 LEU    CD2  35 LEU  4.00 
   HA  35 LEU      H  38 ALA  3.80 
   HA  35 LEU     CB  38 ALA  4.00 
   HA  35 LEU      H  39 GLY  4.80 
   PB  35 LEU      H  41 THR  6.00 
   CG  35 LEU      H  40 VAL  7.57 
   CG  35 LEU     HB  40 VAL  5.57 



     Residue   36  ILE

  CG2  36 ILE     HA   5 SER  4.00 
   HA  36 ILE     PB   5 SER  5.78 
    H  36 ILE     HA  33 ILE  3.70 
 HG12  36 ILE     HA  33 ILE  4.00 
 HG11  36 ILE     HA  33 ILE  4.00 
  PG1  36 ILE     HA  33 ILE  3.43 
   CD  36 ILE     HA  33 ILE  4.00 
    H  36 ILE      H  35 LEU  3.10 
    H  36 ILE     HB  36 ILE  3.00 
    H  36 ILE   HG12  36 ILE  4.30 
    H  36 ILE   HG11  36 ILE  4.30 
    H  36 ILE    PG1  36 ILE  3.82 
    H  36 ILE     CD  36 ILE  4.10 
    H  36 ILE      H  37 GLU  3.00 
    H  36 ILE     PB  37 GLU  5.88 
   HA  36 ILE     HB  36 ILE  3.00 
   HA  36 ILE    PG1  36 ILE  3.99 
   HA  36 ILE      H  37 GLU  3.40 
   HA  36 ILE      H  41 THR  3.60 
   HA  36 ILE     HB  41 THR  4.50 
   HA  36 ILE     CG  41 THR  6.00 
   HB  36 ILE      H  37 GLU  3.00 
   HB  36 ILE     PG  37 GLU  6.00 
  CG2  36 ILE     PG  44 PRO  4.88 
 HG12  36 ILE     CG  41 THR  6.00 
 HG11  36 ILE     CG  41 THR  6.00 
  PG1  36 ILE      H  37 GLU  5.88 
   CD  36 ILE      H  37 GLU  6.00 
   CD  36 ILE     CG  41 THR  7.00 
   CD  36 ILE     PB  44 PRO  5.60 
   CD  36 ILE     PD  44 PRO  4.88 
   CD  36 ILE     CG  46 PHE  8.20 
   CD  36 ILE     CZ  46 PHE  8.20 



     Residue   37  GLU

   PG  37 GLU     PB   5 SER  6.88 
    H  37 GLU     PG  19 GLN  6.88 
    H  37 GLU    NE2  19 GLN  5.97 
  Hb2  37 GLU   HE21  19 GLN  6.75 
  Hb3  37 GLU   HE21  19 GLN  6.75 
   PG  37 GLU   HE21  19 GLN  6.00 
  Hb2  37 GLU   HE22  19 GLN  6.75 
  Hb3  37 GLU   HE22  19 GLN  6.75 
   PG  37 GLU   HE22  19 GLN  6.00 
  Hb2  37 GLU     HA  34 GLN  3.00 
  Hb3  37 GLU     HA  34 GLN  3.00 
    H  37 GLU      H  36 ILE  3.00 
   PB  37 GLU      H  36 ILE  5.88 
    H  37 GLU     HA  36 ILE  3.40 
    H  37 GLU     HB  36 ILE  3.00 
   PG  37 GLU     HB  36 ILE  6.00 
    H  37 GLU    PG1  36 ILE  5.88 
    H  37 GLU     CD  36 ILE  6.00 
    H  37 GLU    Hb2  37 GLU  3.00 
    H  37 GLU    Hb3  37 GLU  3.00 
    H  37 GLU     PG  37 GLU  5.30 
    H  37 GLU      H  38 ALA  3.00 
    H  37 GLU     CB  38 ALA  6.00 
    H  37 GLU      H  39 GLY  4.80 
    H  37 GLU     PA  39 GLY  6.88 
   HA  37 GLU    Hb2  37 GLU  3.00 
   HA  37 GLU    Hb3  37 GLU  3.00 
   PB  37 GLU      H  38 ALA  4.28 



     Residue   38  ALA

    H  38 ALA     HA  34 GLN  4.00 
   CB  38 ALA    Hb2  34 GLN  5.00 
   CB  38 ALA    NE2  34 GLN  6.97 
    H  38 ALA     HA  35 LEU  3.80 
   CB  38 ALA     HA  35 LEU  4.00 
    H  38 ALA      H  37 GLU  3.00 
   CB  38 ALA      H  37 GLU  6.00 
    H  38 ALA     PB  37 GLU  4.28 
    H  38 ALA      H  39 GLY  3.00 
   HA  38 ALA      H  39 GLY  3.40 
   CB  38 ALA      H  39 GLY  4.00 
   CB  38 ALA      H  41 THR  6.00 



     Residue   39  GLY

    H  39 GLY     HA   5 SER  4.00 
    H  39 GLY     PB   5 SER  5.88 
    H  39 GLY     HA  35 LEU  4.80 
    H  39 GLY      H  37 GLU  4.80 
   PA  39 GLY      H  37 GLU  6.88 
    H  39 GLY      H  38 ALA  3.00 
    H  39 GLY     HA  38 ALA  3.40 
    H  39 GLY     CB  38 ALA  4.00 



     Residue   40  VAL

    H  40 VAL     CG  35 LEU  7.57 
   HB  40 VAL     CG  35 LEU  5.57 
    H  40 VAL     HB  40 VAL  3.00 
    H  40 VAL     CB  40 VAL  4.20 
    H  40 VAL      H  41 THR  3.00 
    H  40 VAL     HB  41 THR  4.20 
   HA  40 VAL      H  41 THR  3.40 
   HB  40 VAL      H  41 THR  3.00 
   CB  40 VAL      H  41 THR  5.66 



     Residue   41  THR

    H  41 THR     PB  35 LEU  6.00 
    H  41 THR     HA  36 ILE  3.60 
   HB  41 THR     HA  36 ILE  4.50 
   CG  41 THR     HA  36 ILE  6.00 
   CG  41 THR   HG12  36 ILE  6.00 
   CG  41 THR   HG11  36 ILE  6.00 
   CG  41 THR     CD  36 ILE  7.00 
    H  41 THR     CB  38 ALA  6.00 
    H  41 THR      H  40 VAL  3.00 
   HB  41 THR      H  40 VAL  4.20 
    H  41 THR     HA  40 VAL  3.40 
    H  41 THR     HB  40 VAL  3.00 
    H  41 THR     CB  40 VAL  5.66 
    H  41 THR     HB  41 THR  3.00 
   CG  41 THR      H  43 ARG  6.00 
   CG  41 THR     HA  43 ARG  6.00 
   CG  41 THR     HA  44 PRO  4.00 
   CG  41 THR     PB  44 PRO  7.00 
   CG  41 THR     PG  44 PRO  6.88 
   CG  41 THR    Hd2  44 PRO  6.00 
   CG  41 THR    Hd3  44 PRO  6.00 
   CG  41 THR     PD  44 PRO  5.64 



     Residue   42  LYS

   PB  42 LYS     PE  42 LYS  7.00 



     Residue   43  ARG

    H  43 ARG     CG  41 THR  6.00 
   HA  43 ARG     CG  41 THR  6.00 
    H  43 ARG    Hb2  43 ARG  4.00 
    H  43 ARG    Hb3  43 ARG  4.00 
    H  43 ARG     PG  43 ARG  5.30 
    H  43 ARG     PD  44 PRO  5.88 
   HA  43 ARG     PG  44 PRO  5.90 
   HA  43 ARG   HE21  62 GLN  5.00 
   HA  43 ARG   HE22  62 GLN  5.00 
   PD  43 ARG    NE2  62 GLN  6.97 



     Residue   44  PRO

   PG  44 PRO    CG2  36 ILE  4.88 
   PB  44 PRO     CD  36 ILE  5.60 
   PD  44 PRO     CD  36 ILE  4.88 
   HA  44 PRO     CG  41 THR  4.00 
   PB  44 PRO     CG  41 THR  7.00 
   PG  44 PRO     CG  41 THR  6.88 
  Hd2  44 PRO     CG  41 THR  6.00 
  Hd3  44 PRO     CG  41 THR  6.00 
   PD  44 PRO     CG  41 THR  5.64 
   PD  44 PRO      H  43 ARG  5.88 
   PG  44 PRO     HA  43 ARG  5.90 
   PB  44 PRO     HZ  46 PHE  6.00 
   PG  44 PRO     CZ  46 PHE  8.20 
   PD  44 PRO      H  45 ARG  5.35 
   PD  44 PRO     HA  62 GLN  5.88 



     Residue   45  ARG

    H  45 ARG     PD  44 PRO  5.35 
   HA  45 ARG     PB  47 LEU  5.50 



     Residue   46  PHE

  Hb2  46 PHE     CB  28 VAL  7.56 
  Hb3  46 PHE     CB  28 VAL  7.56 
   CG  46 PHE     CB  28 VAL  9.36 
   CZ  46 PHE     CB  28 VAL  9.76 
   HZ  46 PHE    PG1  33 ILE  5.88 
   CG  46 PHE     CD  36 ILE  8.20 
   CZ  46 PHE     CD  36 ILE  8.20 
   HZ  46 PHE     PB  44 PRO  6.00 
   CZ  46 PHE     PG  44 PRO  8.20 
    H  46 PHE     HZ  46 PHE  5.00 
   HA  46 PHE      H  48 PHE  4.60 
   HA  46 PHE      H  49 GLU  4.80 
  Hb2  46 PHE      H  49 GLU  4.70 
  Hb2  46 PHE    Hb2  49 GLU  5.00 
  Hb2  46 PHE    Hb3  49 GLU  5.00 
  Hb2  46 PHE     PB  49 GLU  4.53 
  Hb2  46 PHE     PG  49 GLU  6.00 
  Hb2  46 PHE    PG1  50 ILE  5.08 
  Hb2  46 PHE     CD  50 ILE  6.00 
  Hb3  46 PHE    PG1  50 ILE  4.98 
   CG  46 PHE     PB  49 GLU  8.08 
   CG  46 PHE    PG1  50 ILE  6.88 
   CG  46 PHE     CD  50 ILE  8.20 



     Residue   47  LEU

   PB  47 LEU     HA  45 ARG  5.50 
   HA  47 LEU      H  50 ILE  3.50 
   HA  47 LEU     HB  50 ILE  3.00 
   HA  47 LEU   HG12  50 ILE  5.00 
   HA  47 LEU   HG11  50 ILE  5.00 
   HA  47 LEU    PG1  50 ILE  4.72 
   HA  47 LEU     CD  50 ILE  4.00 
   HA  47 LEU      H  51 ALA  4.40 
   PB  47 LEU      H  48 PHE  4.20 
   PB  47 LEU     PG  62 GLN  5.28 
   HG  47 LEU     PG  58 PRO  4.38 
   HG  47 LEU     PB  62 GLN  5.88 
   CG  47 LEU      H  48 PHE  7.57 
   CG  47 LEU     PG  58 PRO  7.85 



     Residue   48  PHE

    H  48 PHE     HA  46 PHE  4.60 
    H  48 PHE     PB  47 LEU  4.20 
    H  48 PHE     CG  47 LEU  7.57 
    H  48 PHE    Hb2  48 PHE  3.00 
    H  48 PHE    Hb3  48 PHE  3.00 
    H  48 PHE      H  49 GLU  3.00 
   HA  48 PHE      H  51 ALA  3.80 
   HA  48 PHE     CB  51 ALA  4.90 
   HA  48 PHE     PG  58 PRO  4.08 
  Hb2  48 PHE      H  49 GLU  3.10 
  Hb3  48 PHE      H  49 GLU  3.10 
   PB  48 PHE     PB  49 GLU  6.75 
   PB  48 PHE     PG  58 PRO  6.76 
   CG  48 PHE      H  49 GLU  7.20 
   CG  48 PHE     CB  51 ALA  8.20 
   CG  48 PHE    Hb2  52 MET  7.20 
   CG  48 PHE    Hg2  58 PRO  5.80 
   CG  48 PHE    Hg3  58 PRO  5.80 
   CG  48 PHE     PD  58 PRO  7.78 
   CZ  48 PHE    Hb2  52 MET  7.20 
   CZ  48 PHE     PG  52 MET  8.08 



     Residue   49  GLU

   PB  49 GLU     HA  26 ALA  5.88 
   PB  49 GLU     CB  26 ALA  6.88 
   PB  49 GLU     CB  28 VAL  8.44 
    H  49 GLU     HA  46 PHE  4.80 
    H  49 GLU    Hb2  46 PHE  4.70 
  Hb2  49 GLU    Hb2  46 PHE  5.00 
  Hb3  49 GLU    Hb2  46 PHE  5.00 
   PB  49 GLU    Hb2  46 PHE  4.53 
   PG  49 GLU    Hb2  46 PHE  6.00 
   PB  49 GLU     CG  46 PHE  8.08 
    H  49 GLU      H  48 PHE  3.00 
    H  49 GLU    Hb2  48 PHE  3.10 
    H  49 GLU    Hb3  48 PHE  3.10 
   PB  49 GLU     PB  48 PHE  6.75 
    H  49 GLU     CG  48 PHE  7.20 
    H  49 GLU    Hb2  49 GLU  3.70 
    H  49 GLU    Hb3  49 GLU  3.70 
    H  49 GLU     PB  49 GLU  3.25 
    H  49 GLU     PG  49 GLU  6.00 
    H  49 GLU      H  50 ILE  3.20 
   HA  49 GLU    Hb2  49 GLU  3.00 
   HA  49 GLU    Hb3  49 GLU  3.00 
   HA  49 GLU     CB  53 ALA  5.00 
  Hb2  49 GLU      H  50 ILE  3.50 
  Hb3  49 GLU      H  50 ILE  3.50 
   PB  49 GLU      H  50 ILE  3.29 
   PB  49 GLU     HA  50 ILE  5.88 
   PB  49 GLU    PG1  50 ILE  6.76 



     Residue   50  ILE

  PG1  50 ILE     PB  22 LEU  6.88 
   HA  50 ILE    CD1  22 LEU  6.00 
  CG2  50 ILE    CD1  22 LEU  6.10 
  CG2  50 ILE    CD2  22 LEU  6.00 
  PG1  50 ILE    CD2  22 LEU  6.88 
   HA  50 ILE     CB  26 ALA  4.00 
  CG2  50 ILE     CB  26 ALA  7.00 
 HG12  50 ILE     CB  26 ALA  4.00 
 HG11  50 ILE     CB  26 ALA  4.00 
    H  50 ILE     CB  28 VAL  7.56 
  PG1  50 ILE     CB  28 VAL  8.44 
   CD  50 ILE     HA  33 ILE  4.00 
   CD  50 ILE    CG2  33 ILE  7.00 
   CD  50 ILE    PG1  33 ILE  4.88 
  CG2  50 ILE     CD  33 ILE  5.00 
   CD  50 ILE     CD  33 ILE  5.00 
  PG1  50 ILE    Hb2  46 PHE  5.08 
   CD  50 ILE    Hb2  46 PHE  6.00 
  PG1  50 ILE    Hb3  46 PHE  4.98 
  PG1  50 ILE     CG  46 PHE  6.88 
   CD  50 ILE     CG  46 PHE  8.20 
    H  50 ILE     HA  47 LEU  3.50 
   HB  50 ILE     HA  47 LEU  3.00 
 HG12  50 ILE     HA  47 LEU  5.00 
 HG11  50 ILE     HA  47 LEU  5.00 
  PG1  50 ILE     HA  47 LEU  4.72 
   CD  50 ILE     HA  47 LEU  4.00 
    H  50 ILE      H  49 GLU  3.20 
    H  50 ILE    Hb2  49 GLU  3.50 
    H  50 ILE    Hb3  49 GLU  3.50 
    H  50 ILE     PB  49 GLU  3.29 
   HA  50 ILE     PB  49 GLU  5.88 
  PG1  50 ILE     PB  49 GLU  6.76 
    H  50 ILE     HB  50 ILE  3.00 
    H  50 ILE   HG12  50 ILE  4.70 
    H  50 ILE   HG11  50 ILE  4.70 
    H  50 ILE    PG1  50 ILE  4.05 
    H  50 ILE     CD  50 ILE  6.00 
    H  50 ILE      H  51 ALA  3.00 
    H  50 ILE     CB  51 ALA  6.00 
   HA  50 ILE     HB  50 ILE  3.00 
   HA  50 ILE   HG12  50 ILE  3.60 
   HA  50 ILE   HG11  50 ILE  3.60 
   HA  50 ILE    PG1  50 ILE  3.29 
   HA  50 ILE      H  53 ALA  4.10 
   HA  50 ILE     CB  53 ALA  4.10 
   HA  50 ILE     PB  54 LEU  4.88 
   HB  50 ILE      H  51 ALA  3.00 
  CG2  50 ILE      H  51 ALA  4.00 
  CG2  50 ILE     HG  54 LEU  6.00 
 HG12  50 ILE      H  51 ALA  5.00 
 HG11  50 ILE      H  51 ALA  5.00 
  PG1  50 ILE      H  51 ALA  4.72 
  PG1  50 ILE     CG  54 LEU  8.45 
   CD  50 ILE      H  51 ALA  6.00 



     Residue   51  ALA

    H  51 ALA     HA  47 LEU  4.40 
    H  51 ALA     HA  48 PHE  3.80 
   CB  51 ALA     HA  48 PHE  4.90 
   CB  51 ALA     CG  48 PHE  8.20 
    H  51 ALA      H  50 ILE  3.00 
   CB  51 ALA      H  50 ILE  6.00 
    H  51 ALA     HB  50 ILE  3.00 
    H  51 ALA    CG2  50 ILE  4.00 
    H  51 ALA   HG12  50 ILE  5.00 
    H  51 ALA   HG11  50 ILE  5.00 
    H  51 ALA    PG1  50 ILE  4.72 
    H  51 ALA     CD  50 ILE  6.00 
    H  51 ALA      H  52 MET  3.00 
    H  51 ALA     PB  54 LEU  5.88 
    H  51 ALA    CD2  61 LEU  6.00 
   HA  51 ALA      H  54 LEU  3.50 
   HA  51 ALA     PB  54 LEU  4.88 
   HA  51 ALA      H  55 ASN  5.00 
   HA  51 ALA    CD2  61 LEU  4.00 
   CB  51 ALA      H  52 MET  4.00 
   CB  51 ALA    Hb2  52 MET  6.00 
   CB  51 ALA      H  53 ALA  6.00 
   CB  51 ALA      H  55 ASN  6.00 
   CB  51 ALA      H  56 CYS  6.00 
   CB  51 ALA     HA  57 ASP  6.00 
   CB  51 ALA     PG  58 PRO  4.88 
   CB  51 ALA     PD  58 PRO  5.78 



     Residue   52  MET

  Hb2  52 MET     CG  48 PHE  7.20 
  Hb2  52 MET     CZ  48 PHE  7.20 
   PG  52 MET     CZ  48 PHE  8.08 
    H  52 MET      H  51 ALA  3.00 
    H  52 MET     CB  51 ALA  4.00 
  Hb2  52 MET     CB  51 ALA  6.00 
    H  52 MET    Hb2  52 MET  3.00 
    H  52 MET    Hb3  52 MET  3.00 
    H  52 MET    Hg2  52 MET  5.00 
    H  52 MET    Hg3  52 MET  5.00 
    H  52 MET     PG  52 MET  4.27 
    H  52 MET      H  53 ALA  3.00 
    H  52 MET     PG  58 PRO  5.88 
   HA  52 MET    Hb2  52 MET  3.00 
   HA  52 MET    Hb3  52 MET  3.00 
   HA  52 MET      H  55 ASN  4.30 
   HA  52 MET      H  56 CYS  4.00 
  Hb2  52 MET      H  53 ALA  4.00 
  Hb3  52 MET      H  53 ALA  4.00 
   PG  52 MET      H  53 ALA  5.88 
   PG  52 MET     HA  55 ASN  5.88 
   PG  52 MET     PG  58 PRO  5.95 



     Residue   53  ALA

    H  53 ALA    CD1  22 LEU  6.00 
   CB  53 ALA    Hb3  25 LYS  4.00 
   CB  53 ALA      H  26 ALA  4.00 
   HA  53 ALA     HA  26 ALA  4.40 
   HA  53 ALA     CB  26 ALA  6.00 
   CB  53 ALA     CB  26 ALA  5.00 
   CB  53 ALA     HA  49 GLU  5.00 
    H  53 ALA     HA  50 ILE  4.10 
   CB  53 ALA     HA  50 ILE  4.10 
    H  53 ALA     CB  51 ALA  6.00 
    H  53 ALA      H  52 MET  3.00 
    H  53 ALA    Hb2  52 MET  4.00 
    H  53 ALA    Hb3  52 MET  4.00 
    H  53 ALA     PG  52 MET  5.88 
    H  53 ALA      H  54 LEU  3.40 
    H  53 ALA     PB  54 LEU  5.88 
    H  53 ALA      H  55 ASN  4.30 
   CB  53 ALA      H  54 LEU  4.00 



     Residue   54  LEU

   CG  54 LEU      H  11 ARG  7.57 
   CG  54 LEU     PB  11 ARG  8.57 
  CD1  54 LEU      H  12 ARG  6.00 
  CD2  54 LEU      H  12 ARG  6.00 
  CD1  54 LEU     HA  12 ARG  6.00 
  CD2  54 LEU     HA  12 ARG  6.00 
   CG  54 LEU     HA  12 ARG  4.85 
   PB  54 LEU     HG  22 LEU  5.88 
    H  54 LEU    CD1  22 LEU  6.00 
   PB  54 LEU    CD1  22 LEU  6.88 
   CG  54 LEU    CD1  22 LEU  6.57 
   PB  54 LEU     HA  50 ILE  4.88 
   HG  54 LEU    CG2  50 ILE  6.00 
   CG  54 LEU    PG1  50 ILE  8.45 
   PB  54 LEU      H  51 ALA  5.88 
    H  54 LEU     HA  51 ALA  3.50 
   PB  54 LEU     HA  51 ALA  4.88 
    H  54 LEU      H  53 ALA  3.40 
   PB  54 LEU      H  53 ALA  5.88 
    H  54 LEU     CB  53 ALA  4.00 
    H  54 LEU     PB  54 LEU  3.54 
    H  54 LEU     HG  54 LEU  5.00 
    H  54 LEU    CD1  54 LEU  5.00 
    H  54 LEU    CD2  54 LEU  5.00 
    H  54 LEU      H  55 ASN  3.00 
    H  54 LEU     HA  55 ASN  5.00 
    H  54 LEU      H  56 CYS  4.20 
   HA  54 LEU    CD1  54 LEU  4.00 
   HA  54 LEU    CD2  54 LEU  4.00 
   PB  54 LEU     PB  56 CYS  6.76 
   HG  54 LEU     PB  56 CYS  5.68 
   CG  54 LEU      H  55 ASN  6.97 
   CG  54 LEU     PB  55 ASN  8.45 



     Residue   55  ASN

   PB  55 ASN     HG  15 LEU  5.88 
   PB  55 ASN     CG  15 LEU  8.45 
  ND2  55 ASN     CG  15 LEU  7.54 
    H  55 ASN     HA  51 ALA  5.00 
    H  55 ASN     CB  51 ALA  6.00 
    H  55 ASN     HA  52 MET  4.30 
   HA  55 ASN     PG  52 MET  5.88 
    H  55 ASN      H  53 ALA  4.30 
    H  55 ASN      H  54 LEU  3.00 
   HA  55 ASN      H  54 LEU  5.00 
    H  55 ASN     CG  54 LEU  6.97 
   PB  55 ASN     CG  54 LEU  8.45 
    H  55 ASN    Hb2  55 ASN  4.00 
    H  55 ASN    Hb3  55 ASN  4.00 
    H  55 ASN     PB  55 ASN  3.75 
    H  55 ASN      H  56 CYS  3.00 
   HA  55 ASN      H  56 CYS  3.00 
   HA  55 ASN     PB  56 CYS  5.88 



     Residue   56  CYS

   PB  56 CYS     PG  11 ARG  6.76 
   PB  56 CYS     HE  11 ARG  5.88 
    H  56 CYS     CB  51 ALA  6.00 
    H  56 CYS     HA  52 MET  4.00 
    H  56 CYS      H  54 LEU  4.20 
   PB  56 CYS     PB  54 LEU  6.76 
   PB  56 CYS     HG  54 LEU  5.68 
    H  56 CYS      H  55 ASN  3.00 
    H  56 CYS     HA  55 ASN  3.00 
   PB  56 CYS     HA  55 ASN  5.88 
   HA  56 CYS    Hb2  56 CYS  3.00 
   HA  56 CYS    Hb3  56 CYS  3.00 
   HA  56 CYS      H  57 ASP  3.00 
  Hb2  56 CYS      H  57 ASP  3.20 
  Hb2  56 CYS    HE3  60 TRP  4.70 
  Hb2  56 CYS    HZ3  60 TRP  5.00 
  Hb3  56 CYS      H  57 ASP  3.20 
  Hb3  56 CYS    HE3  60 TRP  4.70 
  Hb3  56 CYS    HZ3  60 TRP  5.00 
   PB  56 CYS      H  57 ASP  2.98 
   PB  56 CYS     PB  57 ASP  5.76 
   PB  56 CYS    Hb2  60 TRP  6.88 
   PB  56 CYS    HE3  60 TRP  4.28 
   PB  56 CYS    HZ3  60 TRP  4.68 
   PB  56 CYS    HH2  60 TRP  5.88 



     Residue   57  ASP

   HA  57 ASP     CB  51 ALA  6.00 
    H  57 ASP     HA  56 CYS  3.00 
    H  57 ASP    Hb2  56 CYS  3.20 
    H  57 ASP    Hb3  56 CYS  3.20 
    H  57 ASP     PB  56 CYS  2.98 
   PB  57 ASP     PB  56 CYS  5.76 
    H  57 ASP    Hb2  57 ASP  3.00 
    H  57 ASP    Hb3  57 ASP  3.00 
    H  57 ASP    HE3  60 TRP  5.00 
    H  57 ASP    HZ3  60 TRP  5.00 
   HA  57 ASP    Hg2  58 PRO  5.00 
   HA  57 ASP    Hg3  58 PRO  5.00 
   HA  57 ASP     PD  58 PRO  3.46 
  Hb2  57 ASP    Hd2  58 PRO  6.75 
  Hb2  57 ASP    Hd3  58 PRO  6.75 
  Hb2  57 ASP      H  60 TRP  4.40 
  Hb2  57 ASP    Hb2  60 TRP  4.70 
  Hb2  57 ASP    Hb3  60 TRP  4.50 
  Hb3  57 ASP    Hd2  58 PRO  6.75 
  Hb3  57 ASP    Hd3  58 PRO  6.75 
  Hb3  57 ASP      H  60 TRP  4.40 
  Hb3  57 ASP    Hb2  60 TRP  4.70 
  Hb3  57 ASP    Hb3  60 TRP  4.50 
   PB  57 ASP     PD  58 PRO  5.81 
   PB  57 ASP      H  60 TRP  3.97 
   PB  57 ASP    Hb2  60 TRP  4.52 
   PB  57 ASP    Hb3  60 TRP  4.31 
   PB  57 ASP    HE3  60 TRP  5.88 
   PB  57 ASP     PG  66 LYS  6.65 



     Residue   58  PRO

   PG  58 PRO     HG  47 LEU  4.38 
   PG  58 PRO     CG  47 LEU  7.85 
   PG  58 PRO     HA  48 PHE  4.08 
   PG  58 PRO     PB  48 PHE  6.76 
  Hg2  58 PRO     CG  48 PHE  5.80 
  Hg3  58 PRO     CG  48 PHE  5.80 
   PD  58 PRO     CG  48 PHE  7.78 
   PG  58 PRO     CB  51 ALA  4.88 
   PD  58 PRO     CB  51 ALA  5.78 
   PG  58 PRO      H  52 MET  5.88 
   PG  58 PRO     PG  52 MET  5.95 
  Hg2  58 PRO     HA  57 ASP  5.00 
  Hg3  58 PRO     HA  57 ASP  5.00 
   PD  58 PRO     HA  57 ASP  3.46 
  Hd2  58 PRO    Hb2  57 ASP  6.75 
  Hd3  58 PRO    Hb2  57 ASP  6.75 
  Hd2  58 PRO    Hb3  57 ASP  6.75 
  Hd3  58 PRO    Hb3  57 ASP  6.75 
   PD  58 PRO     PB  57 ASP  5.81 
  Hg2  58 PRO      H  59 VAL  5.00 
  Hg2  58 PRO    CG1  59 VAL  9.12 
  Hg2  58 PRO    CG2  59 VAL  9.12 
  Hg3  58 PRO      H  59 VAL  5.00 
  Hg3  58 PRO    CG1  59 VAL  9.12 
  Hg3  58 PRO    CG2  59 VAL  9.12 
   PG  58 PRO      H  59 VAL  4.44 
   PG  58 PRO     CB  59 VAL  7.02 
   PD  58 PRO     CB  59 VAL  8.44 



     Residue   59  VAL

    H  59 VAL    Hg2  58 PRO  5.00 
  CG1  59 VAL    Hg2  58 PRO  9.12 
  CG2  59 VAL    Hg2  58 PRO  9.12 
    H  59 VAL    Hg3  58 PRO  5.00 
  CG1  59 VAL    Hg3  58 PRO  9.12 
  CG2  59 VAL    Hg3  58 PRO  9.12 
    H  59 VAL     PG  58 PRO  4.44 
   CB  59 VAL     PG  58 PRO  7.02 
   CB  59 VAL     PD  58 PRO  8.44 
    H  59 VAL     HB  59 VAL  3.00 
    H  59 VAL     CB  59 VAL  4.20 
    H  59 VAL      H  60 TRP  3.00 
    H  59 VAL    Hb2  60 TRP  5.00 
    H  59 VAL      H  61 LEU  5.00 
   HA  59 VAL     HA  60 TRP  5.00 
   HA  59 VAL      H  62 GLN  3.90 
   HA  59 VAL     PB  62 GLN  5.28 
   HA  59 VAL     PB  63 TYR  5.88 
   HA  59 VAL     CG  63 TYR  5.40 
   HA  59 VAL     CZ  63 TYR  7.10 
   HB  59 VAL      H  60 TRP  3.00 
   HB  59 VAL    Hb3  60 TRP  5.00 
   HB  59 VAL      H  61 LEU  5.00 
   HB  59 VAL      H  65 THR  5.00 
  CG1  59 VAL      H  60 TRP  6.00 
  CG1  59 VAL    Hb2  63 TYR  7.75 
  CG1  59 VAL    Hb3  63 TYR  7.75 
  CG1  59 VAL     CG  63 TYR  8.20 
  CG1  59 VAL     CZ  63 TYR  7.20 
  CG2  59 VAL      H  60 TRP  6.00 
  CG2  59 VAL    Hb2  63 TYR  7.75 
  CG2  59 VAL    Hb3  63 TYR  7.75 
  CG2  59 VAL     CG  63 TYR  8.20 
  CG2  59 VAL     CZ  63 TYR  7.20 
   CB  59 VAL     PB  63 TYR  6.70 
   CB  59 VAL     PB  63 TYR  6.70 
   CB  59 VAL     CG  63 TYR  7.05 
   CB  59 VAL     CZ  63 TYR  6.69 
   CB  59 VAL     HB  65 THR  7.56 
   CB  59 VAL     CG  65 THR  6.56 



     Residue   60  TRP

   HA  60 TRP     PD   7 ARG  5.68 
  HE3  60 TRP     CG   8 LEU  6.87 
  HE3  60 TRP    Hb2  56 CYS  4.70 
  HZ3  60 TRP    Hb2  56 CYS  5.00 
  HE3  60 TRP    Hb3  56 CYS  4.70 
  HZ3  60 TRP    Hb3  56 CYS  5.00 
  Hb2  60 TRP     PB  56 CYS  6.88 
  HE3  60 TRP     PB  56 CYS  4.28 
  HZ3  60 TRP     PB  56 CYS  4.68 
  HH2  60 TRP     PB  56 CYS  5.88 
  HE3  60 TRP      H  57 ASP  5.00 
  HZ3  60 TRP      H  57 ASP  5.00 
    H  60 TRP    Hb2  57 ASP  4.40 
  Hb2  60 TRP    Hb2  57 ASP  4.70 
  Hb3  60 TRP    Hb2  57 ASP  4.50 
    H  60 TRP    Hb3  57 ASP  4.40 
  Hb2  60 TRP    Hb3  57 ASP  4.70 
  Hb3  60 TRP    Hb3  57 ASP  4.50 
    H  60 TRP     PB  57 ASP  3.97 
  Hb2  60 TRP     PB  57 ASP  4.52 
  Hb3  60 TRP     PB  57 ASP  4.31 
  HE3  60 TRP     PB  57 ASP  5.88 
    H  60 TRP      H  59 VAL  3.00 
  Hb2  60 TRP      H  59 VAL  5.00 
   HA  60 TRP     HA  59 VAL  5.00 
    H  60 TRP     HB  59 VAL  3.00 
  Hb3  60 TRP     HB  59 VAL  5.00 
    H  60 TRP    CG1  59 VAL  6.00 
    H  60 TRP    CG2  59 VAL  6.00 
    H  60 TRP    Hb2  60 TRP  3.00 
    H  60 TRP    Hb3  60 TRP  3.00 
    H  60 TRP    HE3  60 TRP  5.00 
    H  60 TRP      H  61 LEU  3.00 
   HA  60 TRP    Hb2  60 TRP  3.00 
   HA  60 TRP    Hb3  60 TRP  3.00 
   HA  60 TRP    HD1  60 TRP  3.80 
   HA  60 TRP    HE3  60 TRP  5.00 
   HA  60 TRP      H  62 GLN  3.90 
   HA  60 TRP      H  63 TYR  3.60 
   HA  60 TRP      H  64 GLY  3.50 
   HA  60 TRP      H  65 THR  3.60 
  Hb2  60 TRP    HE3  60 TRP  4.00 
  Hb2  60 TRP      H  61 LEU  5.00 
  Hb3  60 TRP    HD1  60 TRP  3.80 
  Hb3  60 TRP      H  61 LEU  3.50 
  Hd3  60 TRP      H  64 GLY  5.00 
  Hd3  60 TRP     HA  65 THR  4.00 
  Hd3  60 TRP     CG  65 THR  6.00 
  HE3  60 TRP      H  61 LEU  3.80 
  HE3  60 TRP     HA  61 LEU  4.00 
  HE3  60 TRP     PB  61 LEU  5.88 
  HZ3  60 TRP      H  61 LEU  5.00 
  HZ3  60 TRP     HA  61 LEU  4.00 
  HZ3  60 TRP     PB  61 LEU  5.88 



     Residue   61  LEU

   HA  61 LEU     HA   4 LEU  4.60 
  CD2  61 LEU     HA   8 LEU  6.00 
    H  61 LEU     CG   8 LEU  7.57 
   HA  61 LEU     CG   8 LEU  5.57 
   PB  61 LEU     CG   8 LEU  7.45 
  CD1  61 LEU     CG   8 LEU  8.57 
  CD2  61 LEU      H  51 ALA  6.00 
  CD2  61 LEU     HA  51 ALA  4.00 
    H  61 LEU      H  59 VAL  5.00 
    H  61 LEU     HB  59 VAL  5.00 
    H  61 LEU      H  60 TRP  3.00 
    H  61 LEU    Hb2  60 TRP  5.00 
    H  61 LEU    Hb3  60 TRP  3.50 
    H  61 LEU    HE3  60 TRP  3.80 
   HA  61 LEU    HE3  60 TRP  4.00 
   PB  61 LEU    HE3  60 TRP  5.88 
    H  61 LEU    HZ3  60 TRP  5.00 
   HA  61 LEU    HZ3  60 TRP  4.00 
   PB  61 LEU    HZ3  60 TRP  5.88 
    H  61 LEU    CD2  61 LEU  6.00 
    H  61 LEU      H  62 GLN  3.30 
   HA  61 LEU    CD2  61 LEU  6.00 
   PB  61 LEU      H  62 GLN  4.88 
  CD1  61 LEU      H  62 GLN  6.00 
  CD1  61 LEU     HA  62 GLN  5.00 
  CD1  61 LEU     PB  62 GLN  6.88 
  CD1  61 LEU    NE2  62 GLN  6.97 
  CD2  61 LEU      H  62 GLN  6.00 



     Residue   62  GLN

  Hb2  62 GLN     HG   4 LEU  5.00 
  Hb3  62 GLN     HG   4 LEU  5.00 
   PB  62 GLN     HG   4 LEU  4.40 
   HA  62 GLN    CD1   4 LEU  4.00 
   PG  62 GLN    CD1   4 LEU  6.88 
 HE21  62 GLN     HA  43 ARG  5.00 
 HE22  62 GLN     HA  43 ARG  5.00 
  NE2  62 GLN     PD  43 ARG  6.97 
   HA  62 GLN     PD  44 PRO  5.88 
   PG  62 GLN     PB  47 LEU  5.28 
   PB  62 GLN     HG  47 LEU  5.88 
    H  62 GLN     HA  59 VAL  3.90 
   PB  62 GLN     HA  59 VAL  5.28 
    H  62 GLN     HA  60 TRP  3.90 
    H  62 GLN      H  61 LEU  3.30 
    H  62 GLN     PB  61 LEU  4.88 
    H  62 GLN    CD1  61 LEU  6.00 
   HA  62 GLN    CD1  61 LEU  5.00 
   PB  62 GLN    CD1  61 LEU  6.88 
  NE2  62 GLN    CD1  61 LEU  6.97 
    H  62 GLN    CD2  61 LEU  6.00 
    H  62 GLN    Hb2  62 GLN  3.00 
    H  62 GLN    Hb3  62 GLN  3.00 
    H  62 GLN     PG  62 GLN  5.28 
    H  62 GLN      H  63 TYR  3.00 
    H  62 GLN     CG  63 TYR  7.20 
   HA  62 GLN     PG  62 GLN  3.63 
   HA  62 GLN      H  63 TYR  3.50 
  Hb2  62 GLN   HE21  62 GLN  6.55 
  Hb2  62 GLN   HE22  62 GLN  6.55 
  Hb2  62 GLN      H  63 TYR  4.00 
  Hb2  62 GLN     CG  63 TYR  7.00 
  Hb3  62 GLN   HE21  62 GLN  6.55 
  Hb3  62 GLN   HE22  62 GLN  6.55 
  Hb3  62 GLN      H  63 TYR  4.00 
  Hb3  62 GLN     CG  63 TYR  7.00 
   PB  62 GLN     CG  63 TYR  6.58 
  Hg2  62 GLN     CG  63 TYR  7.20 
  Hg3  62 GLN     CG  63 TYR  7.20 
   PG  62 GLN     HA  63 TYR  5.88 



     Residue   63  TYR

   PB  63 TYR     HA  59 VAL  5.88 
   CG  63 TYR     HA  59 VAL  5.40 
   CZ  63 TYR     HA  59 VAL  7.10 
  Hb2  63 TYR    CG1  59 VAL  7.75 
  Hb3  63 TYR    CG1  59 VAL  7.75 
   CG  63 TYR    CG1  59 VAL  8.20 
   CZ  63 TYR    CG1  59 VAL  7.20 
  Hb2  63 TYR    CG2  59 VAL  7.75 
  Hb3  63 TYR    CG2  59 VAL  7.75 
   CG  63 TYR    CG2  59 VAL  8.20 
   CZ  63 TYR    CG2  59 VAL  7.20 
   PB  63 TYR     CB  59 VAL  6.70 
   PB  63 TYR     CB  59 VAL  6.70 
   CG  63 TYR     CB  59 VAL  7.05 
   CZ  63 TYR     CB  59 VAL  6.69 
    H  63 TYR     HA  60 TRP  3.60 
    H  63 TYR      H  62 GLN  3.00 
   CG  63 TYR      H  62 GLN  7.20 
    H  63 TYR     HA  62 GLN  3.50 
    H  63 TYR    Hb2  62 GLN  4.00 
   CG  63 TYR    Hb2  62 GLN  7.00 
    H  63 TYR    Hb3  62 GLN  4.00 
   CG  63 TYR    Hb3  62 GLN  7.00 
   CG  63 TYR     PB  62 GLN  6.58 
   CG  63 TYR    Hg2  62 GLN  7.20 
   CG  63 TYR    Hg3  62 GLN  7.20 
   HA  63 TYR     PG  62 GLN  5.88 
    H  63 TYR    Hb2  63 TYR  3.20 
    H  63 TYR    Hb3  63 TYR  3.20 
    H  63 TYR     PB  63 TYR  2.98 
    H  63 TYR      H  64 GLY  3.00 
   HA  63 TYR     CZ  63 TYR  5.60 
  Hb2  63 TYR      H  65 THR  5.00 
  Hb3  63 TYR      H  65 THR  5.00 
   PB  63 TYR     HB  65 THR  5.88 
   PB  63 TYR     CG  65 THR  5.88 



     Residue   64  GLY

  Ha2  64 GLY    Hg2   2 GLN  8.50 
  Ha3  64 GLY    Hg2   2 GLN  8.50 
  Ha2  64 GLY    Hg3   2 GLN  8.50 
  Ha3  64 GLY    Hg3   2 GLN  8.50 
   PA  64 GLY     PG   2 GLN  5.81 
    H  64 GLY     HA  60 TRP  3.50 
    H  64 GLY    Hd3  60 TRP  5.00 
    H  64 GLY      H  63 TYR  3.00 
    H  64 GLY      H  65 THR  3.40 
  Ha2  64 GLY      H  65 THR  3.30 
  Ha3  64 GLY      H  65 THR  3.30 
   PA  64 GLY     CG  65 THR  6.88 



     Residue   65  THR

    H  65 THR     HB  59 VAL  5.00 
   HB  65 THR     CB  59 VAL  7.56 
   CG  65 THR     CB  59 VAL  6.56 
    H  65 THR     HA  60 TRP  3.60 
   HA  65 THR    Hd3  60 TRP  4.00 
   CG  65 THR    Hd3  60 TRP  6.00 
    H  65 THR    Hb2  63 TYR  5.00 
    H  65 THR    Hb3  63 TYR  5.00 
   HB  65 THR     PB  63 TYR  5.88 
   CG  65 THR     PB  63 TYR  5.88 
    H  65 THR      H  64 GLY  3.40 
    H  65 THR    Ha2  64 GLY  3.30 
    H  65 THR    Ha3  64 GLY  3.30 
   CG  65 THR     PA  64 GLY  6.88 
    H  65 THR     HB  65 THR  3.20 
    H  65 THR     CG  65 THR  4.70 
    H  65 THR      H  66 LYS  4.50 
   HA  65 THR     HB  65 THR  3.00 
   HA  65 THR      H  66 LYS  3.40 
   CG  65 THR      H  66 LYS  6.00 



     Residue   66  LYS

   PG  66 LYS     PB  57 ASP  6.65 
    H  66 LYS      H  65 THR  4.50 
    H  66 LYS     HA  65 THR  3.40 
    H  66 LYS     CG  65 THR  6.00 
    H  66 LYS     PB  66 LYS  3.59 
    H  66 LYS    Hg2  66 LYS  5.00 
    H  66 LYS    Hg3  66 LYS  5.00 
    H  66 LYS      H  67 ARG  4.20 
   HA  66 LYS      H  67 ARG  3.00 



     Residue   67  ARG

    H  67 ARG      H  66 LYS  4.20 
    H  67 ARG     HA  66 LYS  3.00 
    H  67 ARG    Hb2  67 ARG  3.10 
    H  67 ARG    Hb3  67 ARG  3.10 
    H  67 ARG     PG  67 ARG  6.00 
   HA  67 ARG     PG  67 ARG  4.00 
   PG  67 ARG     PA  68 GLY  7.00 



     Residue   68  GLY

   PA  68 GLY     PG  67 ARG  7.00 



     Residue   69  LYS

    H  69 LYS     PB  69 LYS  3.90 
    H  69 LYS     PD  69 LYS  5.10 
   HA  69 LYS     PG  69 LYS  3.60 
   PB  69 LYS     PE  69 LYS  7.00 



     Residue   70  ALA

   HA  70 ALA      H  71 ALA  3.10 



     Residue   71  ALA

    H  71 ALA     HA  70 ALA  3.10 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLN   2           H        GLN   2  -0.046  11.088   0.234
    2    H    THR   3           H        THR   3   3.097   9.780   1.910
    3    HG1  THR   3          1HG       THR   3   6.995   7.631   3.172
    4    H    LEU   4           H        LEU   4   5.589   6.186   0.798
    5    H    SER   5           H        SER   5   4.171   4.821   3.023
    6    HG   SER   5           HG       SER   5   4.547   5.154   6.110
    7    H    GLU   6           H        GLU   6   2.281   5.904   3.859
    8    H    ARG   7           H        ARG   7   0.726   6.624   1.699
    9    HE   ARG   7           HE       ARG   7  -1.076   9.960  -2.989
   10    H    LEU   8           H        LEU   8   0.036   4.253   0.672
   11    H    LYS   9           H        LYS   9  -1.315   2.972   2.796
   12   1HZ   LYS   9          2HZ       LYS   9  -2.536   5.808   8.944
   13   2HZ   LYS   9          3HZ       LYS   9  -3.558   5.258  10.114
   14   3HZ   LYS   9          1HZ       LYS   9  -2.206   4.416   9.719
   15    H    LYS  10           H        LYS  10  -3.637   4.954   3.065
   16   1HZ   LYS  10          3HZ       LYS  10  -7.649   8.664   0.214
   17   2HZ   LYS  10          1HZ       LYS  10  -8.055  10.236  -0.016
   18   3HZ   LYS  10          2HZ       LYS  10  -6.937   9.540  -0.979
   19    H    ARG  11           H        ARG  11  -5.169   4.265   0.402
   20    HE   ARG  11           HE       ARG  11  -9.216   3.154  -3.068
   21    H    ARG  12           H        ARG  12  -5.766   1.574   0.945
   22    HE   ARG  12           HE       ARG  12  -3.451  -1.647   3.841
   23    H    ILE  13           H        ILE  13  -7.549   2.082   3.024
   24    H    ALA  14           H        ALA  14  -9.501   3.634   2.013
   25    H    LEU  15           H        LEU  15 -10.519   1.487   0.189
   26    H    LYS  16           H        LYS  16 -12.419   0.399   2.098
   27   1HZ   LYS  16          3HZ       LYS  16 -17.408   1.861   2.843
   28   2HZ   LYS  16          1HZ       LYS  16 -16.528   2.702   1.745
   29   3HZ   LYS  16          2HZ       LYS  16 -17.880   1.897   1.257
   30    H    MET  17           H        MET  17 -10.599  -1.896   2.496
   31    H    THR  18           H        THR  18  -9.253  -6.147   2.801
   32    HG1  THR  18          1HG       THR  18  -7.587  -6.813   7.125
   33    H    GLN  19           H        GLN  19  -5.384  -5.864   5.142
   34    H    THR  20           H        THR  20  -4.690  -8.985   4.655
   35    HG1  THR  20          1HG       THR  20  -4.598 -13.146   3.224
   36    H    GLU  21           H        GLU  21  -6.712  -9.011   2.401
   37    H    LEU  22           H        LEU  22  -5.854  -7.547   0.583
   38    H    ALA  23           H        ALA  23  -3.466  -8.630   0.143
   39    H    THR  24           H        THR  24  -4.279 -11.173  -0.997
   40    HG1  THR  24          1HG       THR  24  -5.212 -12.562   0.091
   41    H    LYS  25           H        LYS  25  -5.708 -10.576  -3.381
   42   1HZ   LYS  25          2HZ       LYS  25 -10.443  -7.061  -3.228
   43   2HZ   LYS  25          3HZ       LYS  25 -10.945  -6.733  -4.746
   44   3HZ   LYS  25          1HZ       LYS  25 -11.841  -7.678  -3.777
   45    H    ALA  26           H        ALA  26  -3.546  -9.067  -4.569
   46    H    GLY  27           H        GLY  27  -2.312 -11.529  -5.535
   47    H    VAL  28           H        VAL  28  -0.389 -11.879  -3.554
   48    H    LYS  29           H        LYS  29   2.883 -12.338  -0.633
   49   1HZ   LYS  29          2HZ       LYS  29   2.502 -15.900  -1.310
   50   2HZ   LYS  29          3HZ       LYS  29   2.047 -17.430  -1.691
   51   3HZ   LYS  29          1HZ       LYS  29   0.933 -16.296  -1.375
   52    H    GLN  30           H        GLN  30   0.168 -12.308   3.133
   53    H    GLN  31           H        GLN  31   2.092 -11.285   4.938
   54    H    SER  32           H        SER  32   3.940 -10.180   2.749
   55    HG   SER  32           HG       SER  32   5.903 -10.813   0.491
   56    H    ILE  33           H        ILE  33   2.509  -7.725   2.104
   57    H    GLN  34           H        GLN  34   2.125  -6.499   4.300
   58    H    LEU  35           H        LEU  35   5.037  -5.766   4.702
   59    H    ILE  36           H        ILE  36   4.944  -3.290   2.930
   60    H    GLU  37           H        GLU  37   2.967  -1.605   3.860
   61    H    ALA  38           H        ALA  38   4.228  -1.479   6.597
   62    H    GLY  39           H        GLY  39   5.682   0.851   6.001
   63    H    VAL  40           H        VAL  40   8.129  -0.429   5.773
   64    H    THR  41           H        THR  41   8.740  -1.220   3.662
   65    HG1  THR  41          1HG       THR  41  10.675  -3.533   2.939
   66    H    LYS  42           H        LYS  42  10.997   0.807   1.765
   67   1HZ   LYS  42          1HZ       LYS  42  13.041   4.803   4.678
   68   2HZ   LYS  42          2HZ       LYS  42  12.604   6.345   4.341
   69   3HZ   LYS  42          3HZ       LYS  42  12.021   5.581   5.682
   70    H    ARG  43           H        ARG  43  11.122  -0.087  -1.228
   71    HE   ARG  43           HE       ARG  43  11.031   3.870  -5.905
   72    H    ARG  45           H        ARG  45   9.565  -5.186  -4.685
   73    HE   ARG  45           HE       ARG  45  11.678  -7.882  -4.156
   74    H    PHE  46           H        PHE  46   7.062  -6.645  -5.523
   75    H    LEU  47           H        LEU  47   5.804  -4.029  -7.208
   76    H    PHE  48           H        PHE  48   4.154  -3.341  -9.209
   77    H    GLU  49           H        GLU  49   2.313  -5.287  -8.975
   78    H    ILE  50           H        ILE  50   1.012  -4.800  -6.514
   79    H    ALA  51           H        ALA  51  -0.116  -2.406  -7.285
   80    H    MET  52           H        MET  52  -2.245  -2.936  -9.447
   81    H    ALA  53           H        ALA  53  -3.656  -4.747  -8.150
   82    H    LEU  54           H        LEU  54  -4.520  -3.014  -5.920
   83    H    ASN  55           H        ASN  55  -6.311  -1.888  -7.477
   84    H    CYS  56           H        CYS  56  -5.109   0.438  -7.867
   85    H    ASP  57           H        ASP  57  -2.997   4.140  -7.711
   86    H    VAL  59           H        VAL  59   2.699   4.633  -9.650
   87    H    TRP  60           H        TRP  60   0.975   5.928  -7.760
   88    HE1  TRP  60          1HE       TRP  60  -3.470  10.302  -4.831
   89    H    LEU  61           H        LEU  61   0.253   4.702  -5.564
   90    H    GLN  62           H        GLN  62   2.838   4.667  -4.780
   91    H    TYR  63           H        TYR  63   3.902   7.505  -4.759
   92    HH   TYR  63           HH       TYR  63   9.868   5.403  -4.043
   93    H    GLY  64           H        GLY  64   2.170   8.720  -3.565
   94    H    THR  65           H        THR  65   1.926   9.831  -6.161
   95    HG1  THR  65          1HG       THR  65   2.228  13.557  -9.405
   96    H    LYS  66           H        LYS  66  -0.614  11.462  -9.440
   97   1HZ   LYS  66          1HZ       LYS  66  -6.176   6.783  -8.705
   98   2HZ   LYS  66          2HZ       LYS  66  -7.029   7.330  -9.976
   99   3HZ   LYS  66          3HZ       LYS  66  -6.645   5.732  -9.855
  100    H    ARG  67           H        ARG  67  -0.410   7.953 -12.121
  101    HE   ARG  67           HE       ARG  67   3.624   5.364 -13.237
  102    H    GLY  68           H        GLY  68   0.654  11.213 -14.707
  103    H    LYS  69           H        LYS  69  -2.274   9.777 -16.786
  104   1HZ   LYS  69          3HZ       LYS  69  -6.743   5.174 -19.453
  105   2HZ   LYS  69          1HZ       LYS  69  -6.331   4.123 -20.640
  106   3HZ   LYS  69          2HZ       LYS  69  -5.516   4.109 -19.225
  107    H    ALA  70           H        ALA  70  -3.692  11.554 -18.430
  108    H    ALA  71           H        ALA  71  -2.752  12.924 -22.280
   
  No H/Q in entry =         108
  Start of MODEL    2
    1    H    GLN   2           H        GLN   2   1.481  12.660   1.341
    2    H    THR   3           H        THR   3   2.515   9.157   1.232
    3    HG1  THR   3          1HG       THR   3   7.066   7.931   3.044
    4    H    LEU   4           H        LEU   4   5.597   6.200   1.141
    5    H    SER   5           H        SER   5   4.031   4.834   3.439
    6    HG   SER   5           HG       SER   5   4.626   5.070   6.217
    7    H    GLU   6           H        GLU   6   2.075   6.008   4.120
    8    H    ARG   7           H        ARG   7   0.720   6.728   1.888
    9    HE   ARG   7           HE       ARG   7  -2.773   8.481  -0.606
   10    H    LEU   8           H        LEU   8   0.050   4.179   0.857
   11    H    LYS   9           H        LYS   9  -1.478   3.094   3.030
   12   1HZ   LYS   9          1HZ       LYS   9  -5.198   4.795   8.009
   13   2HZ   LYS   9          2HZ       LYS   9  -5.792   3.326   7.603
   14   3HZ   LYS   9          3HZ       LYS   9  -5.938   3.887   9.140
   15    H    LYS  10           H        LYS  10  -3.829   5.011   3.189
   16   1HZ   LYS  10          2HZ       LYS  10  -4.982   9.679   5.204
   17   2HZ   LYS  10          3HZ       LYS  10  -6.270   9.747   6.214
   18   3HZ   LYS  10          1HZ       LYS  10  -4.756   9.854   6.819
   19    H    ARG  11           H        ARG  11  -5.175   4.173   0.650
   20    HE   ARG  11           HE       ARG  11  -7.701   3.115  -5.383
   21    H    ARG  12           H        ARG  12  -5.870   1.617   1.245
   22    HE   ARG  12           HE       ARG  12  -5.450  -3.291   3.668
   23    H    ILE  13           H        ILE  13  -7.794   1.983   3.178
   24    H    ALA  14           H        ALA  14  -9.816   3.272   1.811
   25    H    LEU  15           H        LEU  15 -10.711   1.133  -0.021
   26    H    LYS  16           H        LYS  16 -12.303   0.055   2.064
   27   1HZ   LYS  16          2HZ       LYS  16 -18.545  -0.335   5.178
   28   2HZ   LYS  16          3HZ       LYS  16 -18.639   1.301   5.008
   29   3HZ   LYS  16          1HZ       LYS  16 -18.724   0.325   3.694
   30    H    MET  17           H        MET  17 -10.382  -2.032   2.302
   31    H    THR  18           H        THR  18  -9.438  -6.242   2.971
   32    HG1  THR  18          1HG       THR  18  -9.507  -8.730   4.684
   33    H    GLN  19           H        GLN  19  -5.343  -5.902   4.997
   34    H    THR  20           H        THR  20  -4.603  -8.962   4.664
   35    HG1  THR  20          1HG       THR  20  -4.821 -12.868   3.024
   36    H    GLU  21           H        GLU  21  -6.780  -9.005   2.554
   37    H    LEU  22           H        LEU  22  -5.996  -7.569   0.703
   38    H    ALA  23           H        ALA  23  -3.397  -8.674   0.197
   39    H    THR  24           H        THR  24  -4.712 -11.402  -0.814
   40    HG1  THR  24          1HG       THR  24  -6.067 -12.760   0.063
   41    H    LYS  25           H        LYS  25  -5.947 -10.323  -3.312
   42   1HZ   LYS  25          3HZ       LYS  25 -11.004 -10.292  -3.361
   43   2HZ   LYS  25          1HZ       LYS  25 -12.029 -10.731  -4.565
   44   3HZ   LYS  25          2HZ       LYS  25 -10.656 -11.572  -4.317
   45    H    ALA  26           H        ALA  26  -3.737  -9.070  -4.527
   46    H    GLY  27           H        GLY  27  -2.508 -11.519  -5.102
   47    H    VAL  28           H        VAL  28   0.210 -10.840  -4.407
   48    H    LYS  29           H        LYS  29   2.286 -13.173  -1.225
   49   1HZ   LYS  29          1HZ       LYS  29  -2.831 -15.413   2.841
   50   2HZ   LYS  29          2HZ       LYS  29  -2.750 -15.470   4.471
   51   3HZ   LYS  29          3HZ       LYS  29  -2.500 -14.042   3.687
   52    H    GLN  30           H        GLN  30  -0.338 -11.950   2.303
   53    H    GLN  31           H        GLN  31   2.256 -11.139   4.375
   54    H    SER  32           H        SER  32   3.786  -9.791   2.267
   55    HG   SER  32           HG       SER  32   2.428  -9.726  -0.131
   56    H    ILE  33           H        ILE  33   2.414  -7.323   1.375
   57    H    GLN  34           H        GLN  34   2.514  -6.312   3.931
   58    H    LEU  35           H        LEU  35   5.152  -5.490   4.515
   59    H    ILE  36           H        ILE  36   4.836  -3.029   2.809
   60    H    GLU  37           H        GLU  37   2.936  -1.593   3.956
   61    H    ALA  38           H        ALA  38   4.272  -1.266   6.436
   62    H    GLY  39           H        GLY  39   5.540   1.122   5.893
   63    H    VAL  40           H        VAL  40   8.066   0.141   5.332
   64    H    THR  41           H        THR  41   8.872  -0.726   3.638
   65    HG1  THR  41          1HG       THR  41  10.286  -3.409   2.744
   66    H    LYS  42           H        LYS  42  11.841   0.889   1.452
   67   1HZ   LYS  42          3HZ       LYS  42  15.711   1.996   3.237
   68   2HZ   LYS  42          1HZ       LYS  42  15.925   0.791   2.141
   69   3HZ   LYS  42          2HZ       LYS  42  17.042   2.002   2.261
   70    H    ARG  43           H        ARG  43  11.717   0.357  -1.718
   71    HE   ARG  43           HE       ARG  43   9.528   2.471  -7.228
   72    H    ARG  45           H        ARG  45   9.633  -4.600  -4.639
   73    HE   ARG  45           HE       ARG  45  10.139  -7.464  -3.185
   74    H    PHE  46           H        PHE  46   6.965  -5.543  -5.190
   75    H    LEU  47           H        LEU  47   5.702  -3.452  -6.819
   76    H    PHE  48           H        PHE  48   3.984  -3.317  -9.017
   77    H    GLU  49           H        GLU  49   2.234  -5.375  -8.903
   78    H    ILE  50           H        ILE  50   0.898  -4.842  -6.465
   79    H    ALA  51           H        ALA  51  -0.147  -2.354  -6.964
   80    H    MET  52           H        MET  52  -2.115  -3.028  -9.241
   81    H    ALA  53           H        ALA  53  -3.721  -4.802  -7.956
   82    H    LEU  54           H        LEU  54  -4.666  -3.055  -5.946
   83    H    ASN  55           H        ASN  55  -6.622  -1.938  -7.425
   84    H    CYS  56           H        CYS  56  -5.096   0.452  -7.940
   85    H    ASP  57           H        ASP  57  -2.825   4.096  -7.598
   86    H    VAL  59           H        VAL  59   2.758   4.287  -9.863
   87    H    TRP  60           H        TRP  60   1.371   5.668  -7.953
   88    HE1  TRP  60          1HE       TRP  60  -3.178   9.850  -4.739
   89    H    LEU  61           H        LEU  61   0.742   4.243  -5.632
   90    H    GLN  62           H        GLN  62   3.341   4.515  -4.689
   91    H    TYR  63           H        TYR  63   4.547   6.715  -4.686
   92    HH   TYR  63           HH       TYR  63  10.572   5.391  -7.446
   93    H    GLY  64           H        GLY  64   2.825   8.022  -3.711
   94    H    THR  65           H        THR  65   2.803   9.568  -5.848
   95    HG1  THR  65          1HG       THR  65   3.326  13.256  -8.953
   96    H    LYS  66           H        LYS  66   0.555  11.378  -9.280
   97   1HZ   LYS  66          2HZ       LYS  66  -4.498  11.659  -9.848
   98   2HZ   LYS  66          3HZ       LYS  66  -4.881  12.139  -8.317
   99   3HZ   LYS  66          1HZ       LYS  66  -3.323  12.074  -8.818
  100    H    ARG  67           H        ARG  67   0.853   7.743 -11.708
  101    HE   ARG  67           HE       ARG  67   1.165   4.284 -14.349
  102    H    GLY  68           H        GLY  68   3.191  10.486 -14.089
  103    H    LYS  69           H        LYS  69  -0.171  11.574 -13.995
  104   1HZ   LYS  69          2HZ       LYS  69  -6.555  11.999 -14.280
  105   2HZ   LYS  69          3HZ       LYS  69  -6.125  10.421 -14.369
  106   3HZ   LYS  69          1HZ       LYS  69  -5.960  11.251 -12.967
  107    H    ALA  70           H        ALA  70   0.717  15.258 -12.129
  108    H    ALA  71           H        ALA  71  -0.417  13.441  -8.959
   
  No H/Q in entry =         108
  Start of MODEL    3
    1    H    GLN   2           H        GLN   2   0.354  11.460   0.476
    2    H    THR   3           H        THR   3   2.551   9.432   1.926
    3    HG1  THR   3          1HG       THR   3   3.726   8.644   4.695
    4    H    LEU   4           H        LEU   4   5.523   6.209   1.027
    5    H    SER   5           H        SER   5   3.962   4.821   3.394
    6    HG   SER   5           HG       SER   5   4.357   4.969   6.420
    7    H    GLU   6           H        GLU   6   2.149   5.944   4.222
    8    H    ARG   7           H        ARG   7   0.681   6.634   2.016
    9    HE   ARG   7           HE       ARG   7   0.467  10.189  -2.192
   10    H    LEU   8           H        LEU   8   0.017   4.070   0.793
   11    H    LYS   9           H        LYS   9  -1.364   2.785   3.030
   12   1HZ   LYS   9          2HZ       LYS   9  -5.078   2.517   8.069
   13   2HZ   LYS   9          3HZ       LYS   9  -5.217   2.100   9.643
   14   3HZ   LYS   9          1HZ       LYS   9  -4.282   3.358   9.209
   15    H    LYS  10           H        LYS  10  -3.611   4.832   3.439
   16   1HZ   LYS  10          2HZ       LYS  10  -5.133   6.316   7.467
   17   2HZ   LYS  10          3HZ       LYS  10  -5.280   7.711   8.319
   18   3HZ   LYS  10          1HZ       LYS  10  -6.183   7.454   6.979
   19    H    ARG  11           H        ARG  11  -5.005   4.334   0.951
   20    HE   ARG  11           HE       ARG  11  -8.127   3.480  -4.700
   21    H    ARG  12           H        ARG  12  -5.701   1.565   0.920
   22    HE   ARG  12           HE       ARG  12  -5.279  -3.373   3.028
   23    H    ILE  13           H        ILE  13  -7.697   1.910   3.123
   24    H    ALA  14           H        ALA  14  -9.727   3.745   1.912
   25    H    LEU  15           H        LEU  15 -10.526   1.792  -0.208
   26    H    LYS  16           H        LYS  16 -12.068   0.304   1.395
   27   1HZ   LYS  16          3HZ       LYS  16 -13.842   2.011   3.047
   28   2HZ   LYS  16          1HZ       LYS  16 -14.898   2.689   4.108
   29   3HZ   LYS  16          2HZ       LYS  16 -14.617   1.073   4.133
   30    H    MET  17           H        MET  17 -10.319  -1.808   1.620
   31    H    THR  18           H        THR  18  -9.372  -6.018   2.529
   32    HG1  THR  18          1HG       THR  18  -9.009  -8.660   4.638
   33    H    GLN  19           H        GLN  19  -5.342  -5.453   4.608
   34    H    THR  20           H        THR  20  -5.006  -8.554   4.592
   35    HG1  THR  20          1HG       THR  20  -5.312 -10.927   6.392
   36    H    GLU  21           H        GLU  21  -7.117  -9.080   2.567
   37    H    LEU  22           H        LEU  22  -6.081  -7.741   0.514
   38    H    ALA  23           H        ALA  23  -3.519  -8.870   0.223
   39    H    THR  24           H        THR  24  -4.494 -11.661  -0.721
   40    HG1  THR  24          1HG       THR  24  -5.553 -14.509  -0.219
   41    H    LYS  25           H        LYS  25  -5.848 -10.730  -3.195
   42   1HZ   LYS  25          1HZ       LYS  25  -9.963  -6.037  -6.300
   43   2HZ   LYS  25          2HZ       LYS  25 -10.888  -6.386  -7.595
   44   3HZ   LYS  25          3HZ       LYS  25 -11.182  -7.127  -6.156
   45    H    ALA  26           H        ALA  26  -3.706  -9.337  -4.573
   46    H    GLY  27           H        GLY  27  -2.493 -11.831  -5.497
   47    H    VAL  28           H        VAL  28  -0.487 -11.728  -3.718
   48    H    LYS  29           H        LYS  29   2.799 -11.533  -0.876
   49   1HZ   LYS  29          2HZ       LYS  29   0.642 -16.944   2.633
   50   2HZ   LYS  29          3HZ       LYS  29   0.413 -17.171   4.246
   51   3HZ   LYS  29          1HZ       LYS  29  -0.491 -16.084   3.423
   52    H    GLN  30           H        GLN  30   0.163 -12.150   2.742
   53    H    GLN  31           H        GLN  31   2.204 -11.230   4.882
   54    H    SER  32           H        SER  32   4.028 -10.078   2.596
   55    HG   SER  32           HG       SER  32   5.716 -10.801  -0.002
   56    H    ILE  33           H        ILE  33   2.545  -7.734   1.813
   57    H    GLN  34           H        GLN  34   2.376  -6.530   4.358
   58    H    LEU  35           H        LEU  35   5.266  -5.574   4.305
   59    H    ILE  36           H        ILE  36   4.815  -3.119   2.965
   60    H    GLU  37           H        GLU  37   2.960  -1.787   4.077
   61    H    ALA  38           H        ALA  38   4.197  -1.641   6.726
   62    H    GLY  39           H        GLY  39   5.413   0.813   6.071
   63    H    VAL  40           H        VAL  40   8.120  -0.204   5.340
   64    H    THR  41           H        THR  41   8.919  -0.833   3.503
   65    HG1  THR  41          1HG       THR  41  10.849  -2.986   2.906
   66    H    LYS  42           H        LYS  42  11.749   0.921   1.552
   67   1HZ   LYS  42          3HZ       LYS  42  17.029   3.298   0.955
   68   2HZ   LYS  42          1HZ       LYS  42  17.952   2.293   0.040
   69   3HZ   LYS  42          2HZ       LYS  42  17.099   3.496  -0.676
   70    H    ARG  43           H        ARG  43  12.016   0.548  -1.698
   71    HE   ARG  43           HE       ARG  43  12.365  -1.415  -6.790
   72    H    ARG  45           H        ARG  45   9.430  -4.231  -4.906
   73    HE   ARG  45           HE       ARG  45  11.635  -4.128  -4.264
   74    H    PHE  46           H        PHE  46   7.180  -5.761  -5.444
   75    H    LEU  47           H        LEU  47   5.572  -3.341  -6.783
   76    H    PHE  48           H        PHE  48   3.863  -2.899  -8.956
   77    H    GLU  49           H        GLU  49   2.225  -5.251  -8.834
   78    H    ILE  50           H        ILE  50   0.909  -5.128  -6.159
   79    H    ALA  51           H        ALA  51  -0.328  -2.625  -6.783
   80    H    MET  52           H        MET  52  -2.147  -3.041  -9.187
   81    H    ALA  53           H        ALA  53  -3.703  -4.918  -8.049
   82    H    LEU  54           H        LEU  54  -4.838  -3.532  -5.913
   83    H    ASN  55           H        ASN  55  -6.390  -1.988  -7.450
   84    H    CYS  56           H        CYS  56  -5.189   0.256  -7.349
   85    H    ASP  57           H        ASP  57  -3.413   4.259  -7.097
   86    H    VAL  59           H        VAL  59   2.001   4.386  -9.747
   87    H    TRP  60           H        TRP  60   0.969   6.336  -8.099
   88    HE1  TRP  60          1HE       TRP  60  -2.771  10.485  -4.158
   89    H    LEU  61           H        LEU  61   0.538   4.711  -5.535
   90    H    GLN  62           H        GLN  62   3.247   4.701  -4.782
   91    H    TYR  63           H        TYR  63   4.489   6.774  -5.037
   92    HH   TYR  63           HH       TYR  63   9.485   4.026  -7.575
   93    H    GLY  64           H        GLY  64   2.979   8.482  -3.957
   94    H    THR  65           H        THR  65   2.931  10.225  -6.188
   95    HG1  THR  65          1HG       THR  65   2.819  13.230  -9.825
   96    H    LYS  66           H        LYS  66  -0.714  11.666  -8.250
   97   1HZ   LYS  66          3HZ       LYS  66  -4.579   7.462 -12.714
   98   2HZ   LYS  66          1HZ       LYS  66  -5.916   6.668 -12.231
   99   3HZ   LYS  66          2HZ       LYS  66  -5.995   8.254 -12.557
  100    H    ARG  67           H        ARG  67   0.488   8.676 -10.773
  101    HE   ARG  67           HE       ARG  67   2.712   7.921 -17.133
  102    H    GLY  68           H        GLY  68  -1.807  10.312 -13.612
  103    H    LYS  69           H        LYS  69  -1.480   7.934 -16.546
  104   1HZ   LYS  69          2HZ       LYS  69  -1.721   5.035 -21.305
  105   2HZ   LYS  69          3HZ       LYS  69  -1.746   5.349 -22.921
  106   3HZ   LYS  69          1HZ       LYS  69  -0.370   4.848 -22.177
  107    H    ALA  70           H        ALA  70  -1.100   5.753 -14.762
  108    H    ALA  71           H        ALA  71  -3.726   3.177 -14.473
   
  No H/Q in entry =         108
  Start of MODEL    4
    1    H    GLN   2           H        GLN   2   0.242  11.205   0.283
    2    H    THR   3           H        THR   3   2.879   9.758   2.341
    3    HG1  THR   3          1HG       THR   3   3.797   7.945   5.194
    4    H    LEU   4           H        LEU   4   5.543   6.291   1.040
    5    H    SER   5           H        SER   5   3.897   4.952   3.339
    6    HG   SER   5           HG       SER   5   4.523   4.938   6.341
    7    H    GLU   6           H        GLU   6   2.114   5.943   4.259
    8    H    ARG   7           H        ARG   7   0.592   6.552   2.216
    9    HE   ARG   7           HE       ARG   7  -2.639   8.245  -0.479
   10    H    LEU   8           H        LEU   8  -0.141   4.109   0.929
   11    H    LYS   9           H        LYS   9  -1.416   2.908   3.152
   12   1HZ   LYS   9          3HZ       LYS   9  -0.470   1.780   9.872
   13   2HZ   LYS   9          1HZ       LYS   9  -0.741   0.236  10.309
   14   3HZ   LYS   9          2HZ       LYS   9   0.200   0.560   9.016
   15    H    LYS  10           H        LYS  10  -3.815   4.578   3.909
   16   1HZ   LYS  10          3HZ       LYS  10  -7.687   5.951   7.853
   17   2HZ   LYS  10          1HZ       LYS  10  -6.971   7.150   8.697
   18   3HZ   LYS  10          2HZ       LYS  10  -8.423   7.408   8.009
   19    H    ARG  11           H        ARG  11  -5.248   3.911   1.577
   20    HE   ARG  11           HE       ARG  11  -7.294   3.831  -4.515
   21    H    ARG  12           H        ARG  12  -6.063   1.423   1.554
   22    HE   ARG  12           HE       ARG  12  -3.541  -1.623   3.912
   23    H    ILE  13           H        ILE  13  -8.341   1.684   3.317
   24    H    ALA  14           H        ALA  14 -10.203   3.241   2.069
   25    H    LEU  15           H        LEU  15 -10.672   1.441  -0.121
   26    H    LYS  16           H        LYS  16 -12.778   0.049   1.270
   27   1HZ   LYS  16          2HZ       LYS  16 -17.589   0.431  -0.529
   28   2HZ   LYS  16          3HZ       LYS  16 -18.343   1.494   0.481
   29   3HZ   LYS  16          1HZ       LYS  16 -16.785   1.077   0.732
   30    H    MET  17           H        MET  17 -10.780  -1.991   1.732
   31    H    THR  18           H        THR  18  -9.536  -6.096   2.701
   32    HG1  THR  18          1HG       THR  18  -9.921  -8.169   4.676
   33    H    GLN  19           H        GLN  19  -5.488  -5.443   4.845
   34    H    THR  20           H        THR  20  -5.362  -8.681   4.629
   35    HG1  THR  20          1HG       THR  20  -7.452 -10.633   5.664
   36    H    GLU  21           H        GLU  21  -7.298  -9.244   2.763
   37    H    LEU  22           H        LEU  22  -6.143  -7.485   0.710
   38    H    ALA  23           H        ALA  23  -3.625  -8.654   0.339
   39    H    THR  24           H        THR  24  -4.701 -11.272  -0.790
   40    HG1  THR  24          1HG       THR  24  -5.805 -12.540   0.206
   41    H    LYS  25           H        LYS  25  -5.955 -10.460  -3.136
   42   1HZ   LYS  25          1HZ       LYS  25 -10.209  -7.126  -5.641
   43   2HZ   LYS  25          2HZ       LYS  25 -10.352  -8.754  -5.568
   44   3HZ   LYS  25          3HZ       LYS  25 -11.617  -7.783  -5.152
   45    H    ALA  26           H        ALA  26  -3.911  -9.045  -4.497
   46    H    GLY  27           H        GLY  27  -2.870 -11.651  -5.486
   47    H    VAL  28           H        VAL  28  -0.850 -11.948  -3.608
   48    H    LYS  29           H        LYS  29   2.623 -12.265  -1.023
   49   1HZ   LYS  29          3HZ       LYS  29   5.961 -14.505  -2.410
   50   2HZ   LYS  29          1HZ       LYS  29   5.214 -15.943  -2.520
   51   3HZ   LYS  29          2HZ       LYS  29   4.385 -14.581  -2.848
   52    H    GLN  30           H        GLN  30   0.047 -12.418   2.684
   53    H    GLN  31           H        GLN  31   2.306 -11.297   4.600
   54    H    SER  32           H        SER  32   3.910  -9.943   2.380
   55    HG   SER  32           HG       SER  32   5.549 -10.615  -0.527
   56    H    ILE  33           H        ILE  33   2.468  -7.499   1.988
   57    H    GLN  34           H        GLN  34   2.508  -6.276   4.209
   58    H    LEU  35           H        LEU  35   5.360  -5.348   4.012
   59    H    ILE  36           H        ILE  36   5.078  -2.901   2.620
   60    H    GLU  37           H        GLU  37   3.267  -1.593   3.740
   61    H    ALA  38           H        ALA  38   4.674  -1.247   6.217
   62    H    GLY  39           H        GLY  39   5.849   1.009   5.554
   63    H    VAL  40           H        VAL  40   8.372   0.127   5.048
   64    H    THR  41           H        THR  41   9.285  -0.716   3.231
   65    HG1  THR  41          1HG       THR  41  11.226  -3.360   2.461
   66    H    LYS  42           H        LYS  42  12.166   0.994   1.157
   67   1HZ   LYS  42          1HZ       LYS  42  17.491   3.772   1.353
   68   2HZ   LYS  42          2HZ       LYS  42  16.915   5.260   1.023
   69   3HZ   LYS  42          3HZ       LYS  42  17.233   4.829   2.575
   70    H    ARG  43           H        ARG  43  12.190   0.828  -2.536
   71    HE   ARG  43           HE       ARG  43  12.862  -0.243  -7.409
   72    H    ARG  45           H        ARG  45   9.916  -4.095  -4.728
   73    HE   ARG  45           HE       ARG  45  13.452  -6.138  -7.054
   74    H    PHE  46           H        PHE  46   7.184  -6.187  -5.216
   75    H    LEU  47           H        LEU  47   5.632  -3.535  -5.835
   76    H    PHE  48           H        PHE  48   4.121  -3.268  -8.480
   77    H    GLU  49           H        GLU  49   2.147  -5.410  -8.487
   78    H    ILE  50           H        ILE  50   0.822  -5.157  -6.216
   79    H    ALA  51           H        ALA  51  -0.173  -2.426  -6.684
   80    H    MET  52           H        MET  52  -1.962  -2.998  -9.100
   81    H    ALA  53           H        ALA  53  -3.786  -4.821  -7.952
   82    H    LEU  54           H        LEU  54  -4.814  -3.125  -5.981
   83    H    ASN  55           H        ASN  55  -6.651  -1.932  -7.777
   84    H    CYS  56           H        CYS  56  -5.051   0.281  -8.227
   85    H    ASP  57           H        ASP  57  -2.669   3.953  -7.810
   86    H    VAL  59           H        VAL  59   2.738   4.390  -9.556
   87    H    TRP  60           H        TRP  60   1.411   6.234  -8.127
   88    HE1  TRP  60          1HE       TRP  60  -3.242   9.556  -4.306
   89    H    LEU  61           H        LEU  61   0.970   4.364  -5.589
   90    H    GLN  62           H        GLN  62   3.320   5.345  -4.438
   91    H    TYR  63           H        TYR  63   4.549   7.073  -4.623
   92    HH   TYR  63           HH       TYR  63  10.643   5.846  -7.556
   93    H    GLY  64           H        GLY  64   2.838   8.308  -3.831
   94    H    THR  65           H        THR  65   2.591   9.909  -6.280
   95    HG1  THR  65          1HG       THR  65   2.263  12.720 -10.077
   96    H    LYS  66           H        LYS  66  -1.054  11.186  -8.552
   97   1HZ   LYS  66          3HZ       LYS  66  -6.368   7.718  -8.369
   98   2HZ   LYS  66          1HZ       LYS  66  -6.778   6.161  -8.161
   99   3HZ   LYS  66          2HZ       LYS  66  -5.923   6.925  -7.002
  100    H    ARG  67           H        ARG  67   0.501  10.126 -10.591
  101    HE   ARG  67           HE       ARG  67   2.713  12.320 -16.016
  102    H    GLY  68           H        GLY  68   1.786   9.182 -14.684
  103    H    LYS  69           H        LYS  69   2.043   6.553 -12.772
  104   1HZ   LYS  69          1HZ       LYS  69  -3.709   3.111 -14.372
  105   2HZ   LYS  69          2HZ       LYS  69  -4.007   1.680 -13.650
  106   3HZ   LYS  69          3HZ       LYS  69  -3.507   2.974 -12.760
  107    H    ALA  70           H        ALA  70   4.390   4.587 -14.534
  108    H    ALA  71           H        ALA  71   5.437   1.333 -12.031
   
  No H/Q in entry =         108
  Start of MODEL    5
    1    H    GLN   2           H        GLN   2   0.688  11.582   0.547
    2    H    THR   3           H        THR   3   3.083   9.893   2.414
    3    HG1  THR   3          1HG       THR   3   6.292   7.306   4.501
    4    H    LEU   4           H        LEU   4   5.610   6.329   1.314
    5    H    SER   5           H        SER   5   4.074   4.948   3.384
    6    HG   SER   5           HG       SER   5   4.281   5.273   6.446
    7    H    GLU   6           H        GLU   6   2.095   5.882   4.412
    8    H    ARG   7           H        ARG   7   0.815   6.567   2.023
    9    HE   ARG   7           HE       ARG   7   0.847  10.460  -1.881
   10    H    LEU   8           H        LEU   8   0.127   4.092   0.655
   11    H    LYS   9           H        LYS   9  -1.169   2.811   2.897
   12   1HZ   LYS   9          1HZ       LYS   9  -1.437   4.061   9.664
   13   2HZ   LYS   9          2HZ       LYS   9  -0.020   3.900   8.877
   14   3HZ   LYS   9          3HZ       LYS   9  -0.743   5.372   8.979
   15    H    LYS  10           H        LYS  10  -3.565   4.597   3.717
   16   1HZ   LYS  10          3HZ       LYS  10  -7.181   5.712   8.112
   17   2HZ   LYS  10          1HZ       LYS  10  -6.313   6.200   9.416
   18   3HZ   LYS  10          2HZ       LYS  10  -7.068   7.306   8.497
   19    H    ARG  11           H        ARG  11  -5.008   4.169   1.324
   20    HE   ARG  11           HE       ARG  11  -8.054   3.391  -4.206
   21    H    ARG  12           H        ARG  12  -5.701   1.565   0.968
   22    HE   ARG  12           HE       ARG  12  -3.738  -2.985   1.518
   23    H    ILE  13           H        ILE  13  -7.712   1.705   3.140
   24    H    ALA  14           H        ALA  14  -9.646   3.441   2.212
   25    H    LEU  15           H        LEU  15 -10.500   1.693   0.124
   26    H    LYS  16           H        LYS  16 -12.507   0.452   1.611
   27   1HZ   LYS  16          2HZ       LYS  16 -15.423   1.862   5.314
   28   2HZ   LYS  16          3HZ       LYS  16 -15.109   3.269   4.529
   29   3HZ   LYS  16          1HZ       LYS  16 -16.651   2.789   4.765
   30    H    MET  17           H        MET  17 -10.709  -1.859   1.608
   31    H    THR  18           H        THR  18  -9.724  -6.143   2.508
   32    HG1  THR  18          1HG       THR  18  -9.928  -8.618   4.178
   33    H    GLN  19           H        GLN  19  -5.830  -5.634   4.821
   34    H    THR  20           H        THR  20  -4.882  -8.730   4.708
   35    HG1  THR  20          1HG       THR  20  -5.094 -12.719   3.150
   36    H    GLU  21           H        GLU  21  -7.078  -8.995   2.474
   37    H    LEU  22           H        LEU  22  -6.060  -7.515   0.470
   38    H    ALA  23           H        ALA  23  -3.449  -8.765   0.193
   39    H    THR  24           H        THR  24  -4.525 -11.537  -0.847
   40    HG1  THR  24          1HG       THR  24  -5.460 -12.948   0.136
   41    H    LYS  25           H        LYS  25  -5.935 -10.673  -3.292
   42   1HZ   LYS  25          1HZ       LYS  25 -10.527  -8.306  -3.451
   43   2HZ   LYS  25          2HZ       LYS  25 -10.353  -8.106  -5.064
   44   3HZ   LYS  25          3HZ       LYS  25 -11.714  -8.802  -4.460
   45    H    ALA  26           H        ALA  26  -3.488  -9.389  -4.512
   46    H    GLY  27           H        GLY  27  -2.422 -11.761  -5.546
   47    H    VAL  28           H        VAL  28  -0.490 -11.719  -3.679
   48    H    LYS  29           H        LYS  29   2.750 -12.036  -0.722
   49   1HZ   LYS  29          3HZ       LYS  29   1.773 -15.566  -1.064
   50   2HZ   LYS  29          1HZ       LYS  29   2.654 -15.263  -2.400
   51   3HZ   LYS  29          2HZ       LYS  29   2.312 -16.801  -1.996
   52    H    GLN  30           H        GLN  30   0.016 -12.063   2.976
   53    H    GLN  31           H        GLN  31   2.321 -11.094   4.536
   54    H    SER  32           H        SER  32   4.018 -10.009   2.423
   55    HG   SER  32           HG       SER  32   6.371 -10.348   0.004
   56    H    ILE  33           H        ILE  33   2.716  -7.666   1.850
   57    H    GLN  34           H        GLN  34   2.268  -6.422   4.091
   58    H    LEU  35           H        LEU  35   5.160  -5.460   4.205
   59    H    ILE  36           H        ILE  36   4.854  -2.936   2.702
   60    H    GLU  37           H        GLU  37   2.895  -1.599   3.923
   61    H    ALA  38           H        ALA  38   4.161  -1.470   6.608
   62    H    GLY  39           H        GLY  39   5.514   0.941   6.050
   63    H    VAL  40           H        VAL  40   7.843   0.534   5.006
   64    H    THR  41           H        THR  41   8.739  -0.713   3.398
   65    HG1  THR  41          1HG       THR  41  10.326  -3.107   2.114
   66    H    LYS  42           H        LYS  42  11.177   1.520   1.049
   67   1HZ   LYS  42          3HZ       LYS  42  12.278   5.672  -3.391
   68   2HZ   LYS  42          1HZ       LYS  42  12.214   7.275  -3.678
   69   3HZ   LYS  42          2HZ       LYS  42  13.654   6.529  -3.634
   70    H    ARG  43           H        ARG  43  11.276   0.781  -1.986
   71    HE   ARG  43           HE       ARG  43  12.270   4.624  -6.267
   72    H    ARG  45           H        ARG  45   9.581  -4.482  -4.815
   73    HE   ARG  45           HE       ARG  45  11.652  -7.284  -4.432
   74    H    PHE  46           H        PHE  46   7.124  -6.032  -5.554
   75    H    LEU  47           H        LEU  47   5.736  -3.495  -6.816
   76    H    PHE  48           H        PHE  48   3.983  -3.213  -8.991
   77    H    GLU  49           H        GLU  49   2.157  -5.400  -8.967
   78    H    ILE  50           H        ILE  50   0.966  -5.156  -6.379
   79    H    ALA  51           H        ALA  51  -0.171  -2.523  -6.873
   80    H    MET  52           H        MET  52  -2.112  -2.988  -9.281
   81    H    ALA  53           H        ALA  53  -3.678  -4.917  -7.938
   82    H    LEU  54           H        LEU  54  -4.771  -3.441  -5.847
   83    H    ASN  55           H        ASN  55  -6.300  -2.045  -7.381
   84    H    CYS  56           H        CYS  56  -5.080   0.294  -7.635
   85    H    ASP  57           H        ASP  57  -3.088   4.169  -7.239
   86    H    VAL  59           H        VAL  59   2.506   4.441  -9.665
   87    H    TRP  60           H        TRP  60   1.434   6.136  -7.853
   88    HE1  TRP  60          1HE       TRP  60  -2.050  10.366  -3.619
   89    H    LEU  61           H        LEU  61   0.879   4.431  -5.529
   90    H    GLN  62           H        GLN  62   3.621   4.378  -4.628
   91    H    TYR  63           H        TYR  63   4.710   6.641  -4.590
   92    HH   TYR  63           HH       TYR  63  10.556   5.352  -7.946
   93    H    GLY  64           H        GLY  64   3.157   8.156  -3.510
   94    H    THR  65           H        THR  65   2.430   9.500  -5.950
   95    HG1  THR  65          1HG       THR  65   5.026   9.913  -7.791
   96    H    LYS  66           H        LYS  66   0.871  12.558  -8.869
   97   1HZ   LYS  66          3HZ       LYS  66   2.124   7.398 -14.150
   98   2HZ   LYS  66          1HZ       LYS  66   3.730   7.653 -14.148
   99   3HZ   LYS  66          2HZ       LYS  66   3.041   6.876 -12.897
  100    H    ARG  67           H        ARG  67  -1.502   9.896  -8.214
  101    HE   ARG  67           HE       ARG  67  -6.633   5.583  -6.942
  102    H    GLY  68           H        GLY  68  -5.482  11.739  -8.827
  103    H    LYS  69           H        LYS  69  -5.136  11.596  -5.067
  104   1HZ   LYS  69          1HZ       LYS  69 -11.498   9.851  -2.201
  105   2HZ   LYS  69          2HZ       LYS  69 -11.501   8.344  -2.825
  106   3HZ   LYS  69          3HZ       LYS  69 -11.860   8.586  -1.236
  107    H    ALA  70           H        ALA  70  -7.445  12.474  -1.786
  108    H    ALA  71           H        ALA  71  -5.720  10.017  -0.596
   
  No H/Q in entry =         108
  Start of MODEL    6
    1    H    GLN   2           H        GLN   2   1.743  12.495   1.687
    2    H    THR   3           H        THR   3   2.507   9.160   1.297
    3    HG1  THR   3          1HG       THR   3   3.763   8.572   4.422
    4    H    LEU   4           H        LEU   4   5.716   6.181   0.844
    5    H    SER   5           H        SER   5   4.086   5.010   3.175
    6    HG   SER   5           HG       SER   5   4.684   4.751   6.286
    7    H    GLU   6           H        GLU   6   2.280   6.171   4.003
    8    H    ARG   7           H        ARG   7   0.758   6.754   1.729
    9    HE   ARG   7           HE       ARG   7  -0.770   9.814  -3.154
   10    H    LEU   8           H        LEU   8   0.035   4.279   0.814
   11    H    LYS   9           H        LYS   9  -1.298   2.922   3.107
   12   1HZ   LYS   9          3HZ       LYS   9   0.639   3.249   8.654
   13   2HZ   LYS   9          1HZ       LYS   9   0.836   4.839   8.980
   14   3HZ   LYS   9          2HZ       LYS   9  -0.386   4.022   9.677
   15    H    LYS  10           H        LYS  10  -3.575   4.607   3.318
   16   1HZ   LYS  10          2HZ       LYS  10  -5.125   6.418   7.267
   17   2HZ   LYS  10          3HZ       LYS  10  -3.792   6.952   6.482
   18   3HZ   LYS  10          1HZ       LYS  10  -4.171   7.559   7.956
   19    H    ARG  11           H        ARG  11  -5.007   4.166   0.990
   20    HE   ARG  11           HE       ARG  11  -7.930   3.252  -4.601
   21    H    ARG  12           H        ARG  12  -5.726   1.348   1.182
   22    HE   ARG  12           HE       ARG  12  -3.164  -1.907   1.547
   23    H    ILE  13           H        ILE  13  -7.908   1.894   3.063
   24    H    ALA  14           H        ALA  14  -9.913   3.404   1.908
   25    H    LEU  15           H        LEU  15 -10.491   1.411  -0.061
   26    H    LYS  16           H        LYS  16 -12.537   0.160   1.492
   27   1HZ   LYS  16          1HZ       LYS  16 -17.789   1.550   1.706
   28   2HZ   LYS  16          2HZ       LYS  16 -16.256   1.566   1.139
   29   3HZ   LYS  16          3HZ       LYS  16 -17.519   1.806   0.114
   30    H    MET  17           H        MET  17 -10.683  -1.994   2.062
   31    H    THR  18           H        THR  18  -9.465  -6.249   2.795
   32    HG1  THR  18          1HG       THR  18 -10.116  -8.169   4.411
   33    H    GLN  19           H        GLN  19  -5.581  -5.808   5.043
   34    H    THR  20           H        THR  20  -4.899  -8.994   4.769
   35    HG1  THR  20          1HG       THR  20  -4.894 -13.173   3.411
   36    H    GLU  21           H        GLU  21  -7.057  -9.153   2.557
   37    H    LEU  22           H        LEU  22  -6.063  -7.573   0.645
   38    H    ALA  23           H        ALA  23  -3.510  -8.694   0.281
   39    H    THR  24           H        THR  24  -4.620 -11.408  -0.876
   40    HG1  THR  24          1HG       THR  24  -5.549 -14.212  -0.496
   41    H    LYS  25           H        LYS  25  -5.897 -10.473  -3.354
   42   1HZ   LYS  25          3HZ       LYS  25 -10.916  -7.282  -3.292
   43   2HZ   LYS  25          1HZ       LYS  25 -11.093  -6.775  -4.830
   44   3HZ   LYS  25          2HZ       LYS  25 -12.191  -7.797  -4.192
   45    H    ALA  26           H        ALA  26  -3.699  -9.062  -4.474
   46    H    GLY  27           H        GLY  27  -2.512 -11.469  -5.578
   47    H    VAL  28           H        VAL  28  -0.476 -11.517  -3.625
   48    H    LYS  29           H        LYS  29   2.792 -12.431  -0.774
   49   1HZ   LYS  29          1HZ       LYS  29   2.776 -14.736   5.177
   50   2HZ   LYS  29          2HZ       LYS  29   2.281 -15.983   6.110
   51   3HZ   LYS  29          3HZ       LYS  29   3.847 -15.892   5.608
   52    H    GLN  30           H        GLN  30  -0.044 -12.301   2.665
   53    H    GLN  31           H        GLN  31   2.641 -11.412   4.409
   54    H    SER  32           H        SER  32   3.931  -9.811   2.422
   55    HG   SER  32           HG       SER  32   4.961 -10.794   1.006
   56    H    ILE  33           H        ILE  33   2.655  -7.574   1.926
   57    H    GLN  34           H        GLN  34   2.542  -6.579   4.221
   58    H    LEU  35           H        LEU  35   5.185  -5.621   4.857
   59    H    ILE  36           H        ILE  36   4.845  -3.163   2.954
   60    H    GLU  37           H        GLU  37   2.729  -1.665   4.131
   61    H    ALA  38           H        ALA  38   4.156  -1.497   6.822
   62    H    GLY  39           H        GLY  39   5.448   0.995   5.905
   63    H    VAL  40           H        VAL  40   8.034  -0.060   5.230
   64    H    THR  41           H        THR  41   8.977  -1.372   3.617
   65    HG1  THR  41          1HG       THR  41  10.529  -3.781   2.527
   66    H    LYS  42           H        LYS  42  11.488   0.808   1.533
   67   1HZ   LYS  42          1HZ       LYS  42  11.588   3.115   4.410
   68   2HZ   LYS  42          2HZ       LYS  42  13.167   3.235   4.781
   69   3HZ   LYS  42          3HZ       LYS  42  12.040   4.087   5.621
   70    H    ARG  43           H        ARG  43  11.758   0.140  -1.437
   71    HE   ARG  43           HE       ARG  43  13.612   4.200  -5.721
   72    H    ARG  45           H        ARG  45   9.494  -4.629  -4.993
   73    HE   ARG  45           HE       ARG  45   7.456  -6.665  -9.374
   74    H    PHE  46           H        PHE  46   6.944  -5.753  -5.358
   75    H    LEU  47           H        LEU  47   5.583  -3.312  -6.545
   76    H    PHE  48           H        PHE  48   3.978  -3.064  -8.734
   77    H    GLU  49           H        GLU  49   2.113  -5.281  -8.888
   78    H    ILE  50           H        ILE  50   0.859  -4.779  -6.116
   79    H    ALA  51           H        ALA  51  -0.219  -2.182  -6.797
   80    H    MET  52           H        MET  52  -2.018  -2.963  -9.117
   81    H    ALA  53           H        ALA  53  -3.723  -4.815  -7.639
   82    H    LEU  54           H        LEU  54  -4.969  -2.880  -6.058
   83    H    ASN  55           H        ASN  55  -6.706  -1.849  -7.500
   84    H    CYS  56           H        CYS  56  -5.101   0.563  -7.978
   85    H    ASP  57           H        ASP  57  -2.685   4.093  -7.637
   86    H    VAL  59           H        VAL  59   2.665   4.515  -9.930
   87    H    TRP  60           H        TRP  60   1.181   6.089  -8.172
   88    HE1  TRP  60          1HE       TRP  60  -3.273   9.782  -4.537
   89    H    LEU  61           H        LEU  61   0.873   4.298  -5.672
   90    H    GLN  62           H        GLN  62   3.248   4.902  -4.814
   91    H    TYR  63           H        TYR  63   4.400   6.959  -4.896
   92    HH   TYR  63           HH       TYR  63  11.120   5.727  -5.426
   93    H    GLY  64           H        GLY  64   2.670   8.225  -3.965
   94    H    THR  65           H        THR  65   2.320   9.609  -6.320
   95    HG1  THR  65          1HG       THR  65   4.496  10.477  -7.985
   96    H    LYS  66           H        LYS  66  -0.838  11.778  -7.637
   97   1HZ   LYS  66          3HZ       LYS  66  -5.220   5.927  -7.611
   98   2HZ   LYS  66          1HZ       LYS  66  -6.001   6.768  -6.477
   99   3HZ   LYS  66          2HZ       LYS  66  -6.603   6.716  -7.984
  100    H    ARG  67           H        ARG  67  -4.519  10.950  -8.959
  101    HE   ARG  67           HE       ARG  67  -9.213  14.904  -7.878
  102    H    GLY  68           H        GLY  68  -5.280  14.185  -5.994
  103    H    LYS  69           H        LYS  69  -7.117  11.003  -4.680
  104   1HZ   LYS  69          1HZ       LYS  69 -10.974  10.107  -7.850
  105   2HZ   LYS  69          2HZ       LYS  69 -10.749   9.534  -9.359
  106   3HZ   LYS  69          3HZ       LYS  69 -11.426   8.575  -8.202
  107    H    ALA  70           H        ALA  70  -8.111  12.686  -1.645
  108    H    ALA  71           H        ALA  71  -8.977   9.329  -0.107
   
  No H/Q in entry =         108
  Start of MODEL    7
    1    H    GLN   2           H        GLN   2   1.564  12.427   1.458
    2    H    THR   3           H        THR   3   2.359   8.809   1.202
    3    HG1  THR   3          1HG       THR   3   3.320   8.653   4.307
    4    H    LEU   4           H        LEU   4   5.626   6.052   0.840
    5    H    SER   5           H        SER   5   3.990   4.813   3.234
    6    HG   SER   5           HG       SER   5   4.330   5.090   6.274
    7    H    GLU   6           H        GLU   6   2.036   5.866   3.805
    8    H    ARG   7           H        ARG   7   0.567   6.630   1.831
    9    HE   ARG   7           HE       ARG   7  -0.813   9.878  -2.977
   10    H    LEU   8           H        LEU   8  -0.067   4.175   0.712
   11    H    LYS   9           H        LYS   9  -1.412   2.957   2.838
   12   1HZ   LYS   9          2HZ       LYS   9  -4.743   2.554   8.257
   13   2HZ   LYS   9          3HZ       LYS   9  -4.545   1.807   9.703
   14   3HZ   LYS   9          1HZ       LYS   9  -4.181   3.392   9.531
   15    H    LYS  10           H        LYS  10  -3.826   4.821   3.241
   16   1HZ   LYS  10          1HZ       LYS  10  -6.053   7.802  -0.456
   17   2HZ   LYS  10          2HZ       LYS  10  -6.766   9.227  -0.085
   18   3HZ   LYS  10          3HZ       LYS  10  -5.677   9.132  -1.315
   19    H    ARG  11           H        ARG  11  -5.244   4.222   0.915
   20    HE   ARG  11           HE       ARG  11  -8.499   3.327  -4.622
   21    H    ARG  12           H        ARG  12  -5.833   1.543   1.102
   22    HE   ARG  12           HE       ARG  12  -3.643  -2.549   1.950
   23    H    ILE  13           H        ILE  13  -7.749   1.643   3.197
   24    H    ALA  14           H        ALA  14  -9.666   3.382   2.016
   25    H    LEU  15           H        LEU  15 -10.499   1.361  -0.045
   26    H    LYS  16           H        LYS  16 -12.427   0.257   1.687
   27   1HZ   LYS  16          1HZ       LYS  16 -18.727   0.448   2.454
   28   2HZ   LYS  16          2HZ       LYS  16 -19.144   1.318   3.775
   29   3HZ   LYS  16          3HZ       LYS  16 -18.302   2.022   2.545
   30    H    MET  17           H        MET  17 -10.710  -2.000   1.946
   31    H    THR  18           H        THR  18  -9.647  -6.220   2.642
   32    HG1  THR  18          1HG       THR  18  -9.808  -8.704   4.358
   33    H    GLN  19           H        GLN  19  -5.769  -5.563   4.918
   34    H    THR  20           H        THR  20  -5.238  -8.573   4.565
   35    HG1  THR  20          1HG       THR  20  -4.497 -10.735   5.937
   36    H    GLU  21           H        GLU  21  -7.106  -8.983   2.462
   37    H    LEU  22           H        LEU  22  -6.127  -7.541   0.532
   38    H    ALA  23           H        ALA  23  -3.531  -8.534   0.204
   39    H    THR  24           H        THR  24  -4.536 -11.292  -0.872
   40    HG1  THR  24          1HG       THR  24  -5.629 -12.846   0.104
   41    H    LYS  25           H        LYS  25  -5.934 -10.422  -3.377
   42   1HZ   LYS  25          1HZ       LYS  25  -8.822  -5.749  -7.368
   43   2HZ   LYS  25          2HZ       LYS  25  -8.347  -6.956  -8.364
   44   3HZ   LYS  25          3HZ       LYS  25  -9.797  -6.219  -8.596
   45    H    ALA  26           H        ALA  26  -3.655  -9.219  -4.540
   46    H    GLY  27           H        GLY  27  -2.161 -11.395  -5.026
   47    H    VAL  28           H        VAL  28  -0.340 -11.509  -3.539
   48    H    LYS  29           H        LYS  29   3.063 -12.461  -0.832
   49   1HZ   LYS  29          3HZ       LYS  29   7.671 -14.987   1.339
   50   2HZ   LYS  29          1HZ       LYS  29   6.610 -16.088   1.910
   51   3HZ   LYS  29          2HZ       LYS  29   7.092 -16.172   0.364
   52    H    GLN  30           H        GLN  30   0.256 -12.224   2.845
   53    H    GLN  31           H        GLN  31   2.464 -11.239   4.415
   54    H    SER  32           H        SER  32   4.042  -9.775   2.312
   55    HG   SER  32           HG       SER  32   6.586  -9.805   0.331
   56    H    ILE  33           H        ILE  33   2.656  -7.477   1.829
   57    H    GLN  34           H        GLN  34   2.371  -6.458   4.257
   58    H    LEU  35           H        LEU  35   5.180  -5.462   4.551
   59    H    ILE  36           H        ILE  36   5.026  -3.083   3.008
   60    H    GLU  37           H        GLU  37   3.046  -1.746   3.973
   61    H    ALA  38           H        ALA  38   4.348  -1.411   6.536
   62    H    GLY  39           H        GLY  39   5.610   0.991   5.687
   63    H    VAL  40           H        VAL  40   8.179  -0.103   5.325
   64    H    THR  41           H        THR  41   9.057  -1.229   3.577
   65    HG1  THR  41          1HG       THR  41  10.511  -3.867   2.509
   66    H    LYS  42           H        LYS  42  11.868   0.619   1.638
   67   1HZ   LYS  42          3HZ       LYS  42  17.473   2.578   0.631
   68   2HZ   LYS  42          1HZ       LYS  42  17.777   2.858  -0.954
   69   3HZ   LYS  42          2HZ       LYS  42  17.325   4.093   0.000
   70    H    ARG  43           H        ARG  43  11.949  -0.144  -1.419
   71    HE   ARG  43           HE       ARG  43  12.550   1.015  -7.389
   72    H    ARG  45           H        ARG  45   9.628  -4.580  -5.043
   73    HE   ARG  45           HE       ARG  45  11.797  -5.229  -5.035
   74    H    PHE  46           H        PHE  46   7.065  -5.626  -5.417
   75    H    LEU  47           H        LEU  47   5.581  -3.407  -6.216
   76    H    PHE  48           H        PHE  48   3.931  -3.227  -8.815
   77    H    GLU  49           H        GLU  49   2.105  -5.320  -8.840
   78    H    ILE  50           H        ILE  50   0.922  -4.854  -6.244
   79    H    ALA  51           H        ALA  51  -0.214  -2.340  -6.834
   80    H    MET  52           H        MET  52  -2.091  -3.049  -9.038
   81    H    ALA  53           H        ALA  53  -3.747  -4.840  -7.753
   82    H    LEU  54           H        LEU  54  -4.776  -3.087  -5.662
   83    H    ASN  55           H        ASN  55  -6.777  -2.184  -7.546
   84    H    CYS  56           H        CYS  56  -5.293   0.217  -7.672
   85    H    ASP  57           H        ASP  57  -2.875   3.614  -7.167
   86    H    VAL  59           H        VAL  59   2.533   4.467  -9.619
   87    H    TRP  60           H        TRP  60   1.119   6.143  -7.944
   88    HE1  TRP  60          1HE       TRP  60  -3.091  10.070  -4.363
   89    H    LEU  61           H        LEU  61   0.590   4.545  -5.451
   90    H    GLN  62           H        GLN  62   3.156   4.656  -4.583
   91    H    TYR  63           H        TYR  63   4.608   6.977  -4.833
   92    HH   TYR  63           HH       TYR  63   9.919   4.517  -7.074
   93    H    GLY  64           H        GLY  64   2.894   8.348  -3.965
   94    H    THR  65           H        THR  65   2.778   9.922  -6.265
   95    HG1  THR  65          1HG       THR  65   2.958  13.199  -9.709
   96    H    LYS  66           H        LYS  66  -0.513  11.305  -9.028
   97   1HZ   LYS  66          2HZ       LYS  66  -4.139   6.561  -7.347
   98   2HZ   LYS  66          3HZ       LYS  66  -5.284   7.301  -6.441
   99   3HZ   LYS  66          1HZ       LYS  66  -5.621   5.887  -7.174
  100    H    ARG  67           H        ARG  67   1.272   8.895 -10.549
  101    HE   ARG  67           HE       ARG  67   1.439  12.622 -11.208
  102    H    GLY  68           H        GLY  68  -0.594   7.829 -14.262
  103    H    LYS  69           H        LYS  69  -1.003   4.276 -13.357
  104   1HZ   LYS  69          2HZ       LYS  69   0.178   0.516 -17.274
  105   2HZ   LYS  69          3HZ       LYS  69  -0.131   0.367 -18.887
  106   3HZ   LYS  69          1HZ       LYS  69   0.376   1.807 -18.252
  107    H    ALA  70           H        ALA  70  -4.999   4.286 -11.413
  108    H    ALA  71           H        ALA  71  -4.158   7.085 -14.846
   
  No H/Q in entry =         108
  Start of MODEL    8
    1    H    GLN   2           H        GLN   2   1.772  12.632   1.464
    2    H    THR   3           H        THR   3   2.581   9.175   1.438
    3    HG1  THR   3          1HG       THR   3   3.971   8.277   4.683
    4    H    LEU   4           H        LEU   4   5.749   6.153   1.104
    5    H    SER   5           H        SER   5   4.117   4.921   3.118
    6    HG   SER   5           HG       SER   5   4.575   5.139   6.102
    7    H    GLU   6           H        GLU   6   2.286   6.015   3.882
    8    H    ARG   7           H        ARG   7   0.790   6.700   1.714
    9    HE   ARG   7           HE       ARG   7  -2.860   8.968  -0.664
   10    H    LEU   8           H        LEU   8   0.039   4.276   0.728
   11    H    LYS   9           H        LYS   9  -1.341   3.102   2.959
   12   1HZ   LYS   9          1HZ       LYS   9   0.212   2.221   9.033
   13   2HZ   LYS   9          2HZ       LYS   9  -0.301   3.762   9.086
   14   3HZ   LYS   9          3HZ       LYS   9  -1.036   2.605   9.991
   15    H    LYS  10           H        LYS  10  -3.796   4.958   3.236
   16   1HZ   LYS  10          2HZ       LYS  10  -4.410   6.747   6.226
   17   2HZ   LYS  10          3HZ       LYS  10  -4.378   7.802   7.491
   18   3HZ   LYS  10          1HZ       LYS  10  -5.498   6.603   7.423
   19    H    ARG  11           H        ARG  11  -5.198   4.352   0.621
   20    HE   ARG  11           HE       ARG  11  -7.935   2.953  -4.953
   21    H    ARG  12           H        ARG  12  -5.677   1.479   1.083
   22    HE   ARG  12           HE       ARG  12  -3.433  -2.673   1.962
   23    H    ILE  13           H        ILE  13  -7.614   1.879   3.124
   24    H    ALA  14           H        ALA  14  -9.600   3.319   1.795
   25    H    LEU  15           H        LEU  15 -10.598   1.192  -0.076
   26    H    LYS  16           H        LYS  16 -12.499   0.157   1.782
   27   1HZ   LYS  16          1HZ       LYS  16 -15.936   1.001   1.506
   28   2HZ   LYS  16          2HZ       LYS  16 -16.922   0.683   0.255
   29   3HZ   LYS  16          3HZ       LYS  16 -17.503   1.467   1.587
   30    H    MET  17           H        MET  17 -10.575  -2.139   2.360
   31    H    THR  18           H        THR  18  -9.617  -6.468   2.963
   32    HG1  THR  18          1HG       THR  18  -9.248  -9.176   4.543
   33    H    GLN  19           H        GLN  19  -5.571  -5.958   5.051
   34    H    THR  20           H        THR  20  -5.018  -8.806   4.635
   35    HG1  THR  20          1HG       THR  20  -4.504 -11.124   6.080
   36    H    GLU  21           H        GLU  21  -7.023  -9.261   2.613
   37    H    LEU  22           H        LEU  22  -6.034  -7.670   0.660
   38    H    ALA  23           H        ALA  23  -3.561  -8.847   0.258
   39    H    THR  24           H        THR  24  -4.532 -11.545  -0.839
   40    HG1  THR  24          1HG       THR  24  -4.912 -14.509  -0.901
   41    H    LYS  25           H        LYS  25  -5.925 -10.564  -3.156
   42   1HZ   LYS  25          1HZ       LYS  25 -10.782  -9.006  -5.313
   43   2HZ   LYS  25          2HZ       LYS  25 -12.009  -9.011  -4.229
   44   3HZ   LYS  25          3HZ       LYS  25 -11.114  -7.647  -4.478
   45    H    ALA  26           H        ALA  26  -3.704  -8.993  -4.475
   46    H    GLY  27           H        GLY  27  -2.467 -11.466  -5.355
   47    H    VAL  28           H        VAL  28  -0.369 -11.532  -3.669
   48    H    LYS  29           H        LYS  29   2.920 -11.470  -0.829
   49   1HZ   LYS  29          2HZ       LYS  29   6.493 -14.723  -1.575
   50   2HZ   LYS  29          3HZ       LYS  29   6.026 -16.152  -2.238
   51   3HZ   LYS  29          1HZ       LYS  29   5.173 -14.786  -2.522
   52    H    GLN  30           H        GLN  30  -0.114 -12.111   2.543
   53    H    GLN  31           H        GLN  31   2.002 -11.343   4.583
   54    H    SER  32           H        SER  32   3.798 -10.079   2.336
   55    HG   SER  32           HG       SER  32   5.701 -10.648   0.892
   56    H    ILE  33           H        ILE  33   2.485  -7.642   1.880
   57    H    GLN  34           H        GLN  34   2.314  -6.512   4.264
   58    H    LEU  35           H        LEU  35   5.183  -5.554   4.384
   59    H    ILE  36           H        ILE  36   4.946  -3.165   2.934
   60    H    GLU  37           H        GLU  37   2.922  -1.713   3.942
   61    H    ALA  38           H        ALA  38   4.150  -1.515   6.759
   62    H    GLY  39           H        GLY  39   5.579   0.868   5.997
   63    H    VAL  40           H        VAL  40   8.121  -0.007   5.310
   64    H    THR  41           H        THR  41   9.183  -1.549   3.878
   65    HG1  THR  41          1HG       THR  41  11.047  -3.913   2.425
   66    H    LYS  42           H        LYS  42  11.329   0.867   1.951
   67   1HZ   LYS  42          2HZ       LYS  42  11.158   3.773   4.952
   68   2HZ   LYS  42          3HZ       LYS  42  12.413   4.781   5.282
   69   3HZ   LYS  42          1HZ       LYS  42  10.935   5.078   5.889
   70    H    ARG  43           H        ARG  43  11.378   0.029  -0.975
   71    HE   ARG  43           HE       ARG  43  12.528   1.161  -7.145
   72    H    ARG  45           H        ARG  45  10.092  -4.400  -5.308
   73    HE   ARG  45           HE       ARG  45  12.109  -3.504  -7.743
   74    H    PHE  46           H        PHE  46   7.162  -5.748  -5.334
   75    H    LEU  47           H        LEU  47   5.701  -3.281  -6.466
   76    H    PHE  48           H        PHE  48   4.017  -3.188  -8.695
   77    H    GLU  49           H        GLU  49   2.202  -5.210  -8.786
   78    H    ILE  50           H        ILE  50   0.890  -4.785  -6.237
   79    H    ALA  51           H        ALA  51  -0.307  -2.357  -6.754
   80    H    MET  52           H        MET  52  -2.135  -2.493  -9.137
   81    H    ALA  53           H        ALA  53  -3.700  -4.654  -7.822
   82    H    LEU  54           H        LEU  54  -4.971  -2.943  -6.045
   83    H    ASN  55           H        ASN  55  -6.968  -2.063  -7.556
   84    H    CYS  56           H        CYS  56  -5.292   0.397  -7.816
   85    H    ASP  57           H        ASP  57  -3.235   4.242  -7.960
   86    H    VAL  59           H        VAL  59   2.282   4.456 -10.029
   87    H    TRP  60           H        TRP  60   0.967   6.297  -8.274
   88    HE1  TRP  60          1HE       TRP  60  -3.052   9.781  -3.950
   89    H    LEU  61           H        LEU  61   0.640   4.523  -5.728
   90    H    GLN  62           H        GLN  62   3.219   4.699  -5.131
   91    H    TYR  63           H        TYR  63   4.427   7.079  -5.206
   92    HH   TYR  63           HH       TYR  63  11.105   6.086  -7.313
   93    H    GLY  64           H        GLY  64   2.921   8.281  -3.933
   94    H    THR  65           H        THR  65   2.433   9.966  -6.046
   95    HG1  THR  65          1HG       THR  65   2.126  13.601  -9.201
   96    H    LYS  66           H        LYS  66  -0.881  11.672  -8.430
   97   1HZ   LYS  66          3HZ       LYS  66  -6.694   7.285  -7.655
   98   2HZ   LYS  66          1HZ       LYS  66  -6.176   5.751  -7.719
   99   3HZ   LYS  66          2HZ       LYS  66  -5.496   6.785  -6.666
  100    H    ARG  67           H        ARG  67   0.916  11.184 -10.606
  101    HE   ARG  67           HE       ARG  67  -0.394  14.223 -11.703
  102    H    GLY  68           H        GLY  68  -0.635  12.132 -14.697
  103    H    LYS  69           H        LYS  69  -0.579   8.535 -14.425
  104   1HZ   LYS  69          2HZ       LYS  69  -3.842   8.248 -18.706
  105   2HZ   LYS  69          3HZ       LYS  69  -2.278   7.774 -18.850
  106   3HZ   LYS  69          1HZ       LYS  69  -3.297   7.641 -20.108
  107    H    ALA  70           H        ALA  70  -3.905   8.349 -11.697
  108    H    ALA  71           H        ALA  71  -4.164  10.711 -15.025
   
  No H/Q in entry =         108
  Start of MODEL    9
    1    H    GLN   2           H        GLN   2   3.333  10.104   4.651
    2    H    THR   3           H        THR   3   2.231   9.166   1.330
    3    HG1  THR   3          1HG       THR   3   4.953   7.671  -1.561
    4    H    LEU   4           H        LEU   4   4.202   5.929   0.048
    5    H    SER   5           H        SER   5   3.401   4.811   2.816
    6    HG   SER   5           HG       SER   5   2.820   2.460   6.825
    7    H    GLU   6           H        GLU   6   2.019   5.757   4.178
    8    H    ARG   7           H        ARG   7   0.023   6.708   2.526
    9    HE   ARG   7           HE       ARG   7  -1.077  10.130  -0.285
   10    H    LEU   8           H        LEU   8  -0.454   4.601   1.151
   11    H    LYS   9           H        LYS   9  -1.534   2.831   3.250
   12   1HZ   LYS   9          3HZ       LYS   9  -1.330   2.510   9.740
   13   2HZ   LYS   9          1HZ       LYS   9  -0.048   1.525   9.598
   14   3HZ   LYS   9          2HZ       LYS   9   0.143   3.134   9.399
   15    H    LYS  10           H        LYS  10  -3.872   4.693   3.812
   16   1HZ   LYS  10          3HZ       LYS  10  -6.288  10.053   5.879
   17   2HZ   LYS  10          1HZ       LYS  10  -7.760  10.691   5.574
   18   3HZ   LYS  10          2HZ       LYS  10  -7.576   9.072   5.584
   19    H    ARG  11           H        ARG  11  -5.347   4.383   1.310
   20    HE   ARG  11           HE       ARG  11  -7.802   2.040  -4.673
   21    H    ARG  12           H        ARG  12  -5.894   1.647   1.315
   22    HE   ARG  12           HE       ARG  12  -3.658  -2.184   1.581
   23    H    ILE  13           H        ILE  13  -7.898   1.762   3.476
   24    H    ALA  14           H        ALA  14  -9.858   3.319   2.446
   25    H    LEU  15           H        LEU  15 -10.599   1.405   0.411
   26    H    LYS  16           H        LYS  16 -12.482   0.110   1.749
   27   1HZ   LYS  16          2HZ       LYS  16 -19.285  -0.060   2.335
   28   2HZ   LYS  16          3HZ       LYS  16 -19.234   1.511   2.817
   29   3HZ   LYS  16          1HZ       LYS  16 -18.669   1.086   1.343
   30    H    MET  17           H        MET  17 -10.726  -2.047   2.237
   31    H    THR  18           H        THR  18  -9.195  -6.158   2.547
   32    HG1  THR  18          1HG       THR  18  -9.716  -8.198   3.831
   33    H    GLN  19           H        GLN  19  -5.594  -6.126   5.203
   34    H    THR  20           H        THR  20  -4.987  -8.963   4.746
   35    HG1  THR  20          1HG       THR  20  -5.181 -13.313   4.745
   36    H    GLU  21           H        GLU  21  -7.034  -9.151   2.546
   37    H    LEU  22           H        LEU  22  -5.893  -7.386   0.686
   38    H    ALA  23           H        ALA  23  -3.440  -8.649   0.343
   39    H    THR  24           H        THR  24  -4.329 -11.289  -0.795
   40    HG1  THR  24          1HG       THR  24  -5.551 -12.650   0.086
   41    H    LYS  25           H        LYS  25  -5.357 -10.372  -3.315
   42   1HZ   LYS  25          2HZ       LYS  25 -10.324  -6.730  -5.944
   43   2HZ   LYS  25          3HZ       LYS  25 -11.635  -7.582  -5.434
   44   3HZ   LYS  25          1HZ       LYS  25 -10.546  -7.004  -4.353
   45    H    ALA  26           H        ALA  26  -3.206  -8.900  -4.401
   46    H    GLY  27           H        GLY  27  -1.970 -11.289  -5.286
   47    H    VAL  28           H        VAL  28  -0.199 -11.583  -3.558
   48    H    LYS  29           H        LYS  29   2.810 -12.436  -0.427
   49   1HZ   LYS  29          2HZ       LYS  29   3.358 -17.883   2.821
   50   2HZ   LYS  29          3HZ       LYS  29   2.285 -18.484   3.900
   51   3HZ   LYS  29          1HZ       LYS  29   1.795 -17.429   2.757
   52    H    GLN  30           H        GLN  30  -0.163 -12.463   3.121
   53    H    GLN  31           H        GLN  31   2.170 -11.541   5.022
   54    H    SER  32           H        SER  32   3.721 -10.265   2.768
   55    HG   SER  32           HG       SER  32   6.199 -10.681   0.685
   56    H    ILE  33           H        ILE  33   2.445  -7.995   2.049
   57    H    GLN  34           H        GLN  34   2.540  -6.830   4.333
   58    H    LEU  35           H        LEU  35   5.205  -5.825   4.609
   59    H    ILE  36           H        ILE  36   4.810  -3.358   3.148
   60    H    GLU  37           H        GLU  37   2.887  -2.005   4.114
   61    H    ALA  38           H        ALA  38   4.265  -1.811   6.778
   62    H    GLY  39           H        GLY  39   5.407   0.685   6.046
   63    H    VAL  40           H        VAL  40   7.922  -0.289   5.496
   64    H    THR  41           H        THR  41   8.688  -1.211   3.600
   65    HG1  THR  41          1HG       THR  41  10.689  -3.352   2.765
   66    H    LYS  42           H        LYS  42  11.251   0.830   1.431
   67   1HZ   LYS  42          2HZ       LYS  42  14.940   4.226  -2.564
   68   2HZ   LYS  42          3HZ       LYS  42  15.837   2.925  -3.025
   69   3HZ   LYS  42          1HZ       LYS  42  14.279   3.065  -3.498
   70    H    ARG  43           H        ARG  43  11.327   0.416  -1.575
   71    HE   ARG  43           HE       ARG  43  10.554   4.492  -5.720
   72    H    ARG  45           H        ARG  45   9.521  -4.817  -4.796
   73    HE   ARG  45           HE       ARG  45  12.950  -4.659  -5.554
   74    H    PHE  46           H        PHE  46   6.889  -5.808  -5.538
   75    H    LEU  47           H        LEU  47   5.738  -3.343  -7.008
   76    H    PHE  48           H        PHE  48   4.061  -2.900  -9.206
   77    H    GLU  49           H        GLU  49   2.339  -5.104  -8.998
   78    H    ILE  50           H        ILE  50   1.144  -4.593  -6.274
   79    H    ALA  51           H        ALA  51  -0.052  -2.168  -7.032
   80    H    MET  52           H        MET  52  -2.081  -2.985  -9.128
   81    H    ALA  53           H        ALA  53  -3.579  -4.444  -7.619
   82    H    LEU  54           H        LEU  54  -4.628  -2.996  -5.851
   83    H    ASN  55           H        ASN  55  -6.579  -2.062  -7.396
   84    H    CYS  56           H        CYS  56  -5.112   0.501  -7.701
   85    H    ASP  57           H        ASP  57  -3.091   4.287  -8.188
   86    H    VAL  59           H        VAL  59   2.271   4.614 -10.598
   87    H    TRP  60           H        TRP  60   1.055   6.248  -8.811
   88    HE1  TRP  60          1HE       TRP  60  -3.137  10.175  -5.064
   89    H    LEU  61           H        LEU  61   0.908   4.933  -6.163
   90    H    GLN  62           H        GLN  62   3.523   5.314  -5.575
   91    H    TYR  63           H        TYR  63   4.852   7.207  -5.996
   92    HH   TYR  63           HH       TYR  63  11.247   5.876  -7.875
   93    H    GLY  64           H        GLY  64   3.442   8.990  -4.843
   94    H    THR  65           H        THR  65   2.373  10.450  -6.514
   95    HG1  THR  65          1HG       THR  65   0.406   9.970  -8.035
   96    H    LYS  66           H        LYS  66  -0.009  13.789  -8.524
   97   1HZ   LYS  66          1HZ       LYS  66  -0.206   9.002 -10.584
   98   2HZ   LYS  66          2HZ       LYS  66  -0.004   9.005 -12.201
   99   3HZ   LYS  66          3HZ       LYS  66   0.026  10.409 -11.362
  100    H    ARG  67           H        ARG  67  -2.321  12.580  -5.909
  101    HE   ARG  67           HE       ARG  67  -2.573  12.066  -1.344
  102    H    GLY  68           H        GLY  68  -5.244  15.704  -4.494
  103    H    LYS  69           H        LYS  69  -2.282  17.455  -5.054
  104   1HZ   LYS  69          2HZ       LYS  69   0.371  16.219  -4.611
  105   2HZ   LYS  69          3HZ       LYS  69   0.806  14.701  -5.062
  106   3HZ   LYS  69          1HZ       LYS  69   1.938  15.833  -4.853
  107    H    ALA  70           H        ALA  70  -3.681  16.950  -7.732
  108    H    ALA  71           H        ALA  71  -6.462  19.761  -8.603
   
  No H/Q in entry =         108
  Start of MODEL   10
    1    H    GLN   2           H        GLN   2   3.843  10.173   3.976
    2    H    THR   3           H        THR   3   2.467   9.165   0.742
    3    HG1  THR   3          1HG       THR   3   5.415   7.172  -2.224
    4    H    LEU   4           H        LEU   4   4.580   5.911  -0.088
    5    H    SER   5           H        SER   5   3.688   5.019   2.531
    6    HG   SER   5           HG       SER   5   5.496   4.918   4.918
    7    H    GLU   6           H        GLU   6   2.543   5.953   4.067
    8    H    ARG   7           H        ARG   7   0.561   7.043   2.237
    9    HE   ARG   7           HE       ARG   7   0.240  10.666   0.080
   10    H    LEU   8           H        LEU   8  -0.199   4.819   1.214
   11    H    LYS   9           H        LYS   9  -1.149   2.993   3.171
   12   1HZ   LYS   9          2HZ       LYS   9  -0.661   5.488   7.979
   13   2HZ   LYS   9          3HZ       LYS   9  -1.896   5.886   6.964
   14   3HZ   LYS   9          1HZ       LYS   9  -1.844   6.512   8.470
   15    H    LYS  10           H        LYS  10  -3.573   4.760   3.892
   16   1HZ   LYS  10          2HZ       LYS  10  -5.647   8.266   7.029
   17   2HZ   LYS  10          3HZ       LYS  10  -4.934   9.473   7.891
   18   3HZ   LYS  10          1HZ       LYS  10  -5.787   9.813   6.543
   19    H    ARG  11           H        ARG  11  -5.012   4.363   1.373
   20    HE   ARG  11           HE       ARG  11  -8.576   3.684  -3.940
   21    H    ARG  12           H        ARG  12  -5.564   1.614   1.416
   22    HE   ARG  12           HE       ARG  12  -3.201  -2.492   1.753
   23    H    ILE  13           H        ILE  13  -7.603   1.700   3.371
   24    H    ALA  14           H        ALA  14  -9.681   3.296   2.347
   25    H    LEU  15           H        LEU  15 -10.252   1.273   0.348
   26    H    LYS  16           H        LYS  16 -12.222  -0.117   1.751
   27   1HZ   LYS  16          2HZ       LYS  16 -16.896  -0.480   4.660
   28   2HZ   LYS  16          3HZ       LYS  16 -18.396   0.217   4.593
   29   3HZ   LYS  16          1HZ       LYS  16 -18.209  -1.373   4.266
   30    H    MET  17           H        MET  17 -10.351  -2.362   2.183
   31    H    THR  18           H        THR  18  -9.073  -6.547   3.007
   32    HG1  THR  18          1HG       THR  18  -8.582  -9.252   4.617
   33    H    GLN  19           H        GLN  19  -5.015  -6.174   5.165
   34    H    THR  20           H        THR  20  -4.699  -8.978   4.652
   35    HG1  THR  20          1HG       THR  20  -4.466 -11.328   6.003
   36    H    GLU  21           H        GLU  21  -6.713  -9.252   2.596
   37    H    LEU  22           H        LEU  22  -5.720  -7.520   0.715
   38    H    ALA  23           H        ALA  23  -3.249  -8.717   0.306
   39    H    THR  24           H        THR  24  -4.104 -11.363  -0.906
   40    HG1  THR  24          1HG       THR  24  -5.331 -13.252  -0.055
   41    H    LYS  25           H        LYS  25  -5.465 -10.294  -3.299
   42   1HZ   LYS  25          2HZ       LYS  25  -9.244  -5.607  -5.333
   43   2HZ   LYS  25          3HZ       LYS  25 -10.004  -5.955  -6.739
   44   3HZ   LYS  25          1HZ       LYS  25 -10.660  -6.426  -5.321
   45    H    ALA  26           H        ALA  26  -3.364  -8.816  -4.433
   46    H    GLY  27           H        GLY  27  -2.195 -11.313  -5.587
   47    H    VAL  28           H        VAL  28  -0.207 -11.659  -3.766
   48    H    LYS  29           H        LYS  29   2.914 -11.927  -0.780
   49   1HZ   LYS  29          1HZ       LYS  29   1.169 -17.087  -1.643
   50   2HZ   LYS  29          2HZ       LYS  29   1.920 -18.494  -1.317
   51   3HZ   LYS  29          3HZ       LYS  29   0.778 -17.913  -0.293
   52    H    GLN  30           H        GLN  30   0.198 -12.561   2.802
   53    H    GLN  31           H        GLN  31   2.039 -11.402   4.892
   54    H    SER  32           H        SER  32   3.886 -10.169   2.809
   55    HG   SER  32           HG       SER  32   6.058 -10.714   0.860
   56    H    ILE  33           H        ILE  33   2.434  -7.921   1.947
   57    H    GLN  34           H        GLN  34   2.043  -6.685   4.379
   58    H    LEU  35           H        LEU  35   4.765  -5.752   4.892
   59    H    ILE  36           H        ILE  36   4.742  -3.325   3.333
   60    H    GLU  37           H        GLU  37   2.889  -1.729   4.032
   61    H    ALA  38           H        ALA  38   3.786  -1.578   6.887
   62    H    GLY  39           H        GLY  39   5.393   0.865   6.271
   63    H    VAL  40           H        VAL  40   7.865  -0.347   6.009
   64    H    THR  41           H        THR  41   8.671  -1.663   4.495
   65    HG1  THR  41          1HG       THR  41  10.654  -4.030   3.154
   66    H    LYS  42           H        LYS  42  10.825   0.608   2.266
   67   1HZ   LYS  42          2HZ       LYS  42   8.532   6.717   3.599
   68   2HZ   LYS  42          3HZ       LYS  42   7.906   6.287   5.054
   69   3HZ   LYS  42          1HZ       LYS  42   9.338   5.681   4.568
   70    H    ARG  43           H        ARG  43  10.101  -0.316  -0.475
   71    HE   ARG  43           HE       ARG  43  14.911  -0.858  -2.634
   72    H    ARG  45           H        ARG  45   9.245  -4.640  -4.626
   73    HE   ARG  45           HE       ARG  45   9.953  -7.316  -3.773
   74    H    PHE  46           H        PHE  46   6.712  -5.844  -5.617
   75    H    LEU  47           H        LEU  47   5.619  -3.147  -6.847
   76    H    PHE  48           H        PHE  48   3.850  -2.612  -9.184
   77    H    GLU  49           H        GLU  49   2.048  -5.037  -9.109
   78    H    ILE  50           H        ILE  50   0.968  -4.472  -6.414
   79    H    ALA  51           H        ALA  51  -0.297  -1.916  -7.000
   80    H    MET  52           H        MET  52  -2.242  -2.884  -9.140
   81    H    ALA  53           H        ALA  53  -3.710  -4.513  -7.657
   82    H    LEU  54           H        LEU  54  -4.693  -3.003  -5.735
   83    H    ASN  55           H        ASN  55  -6.823  -2.071  -7.466
   84    H    CYS  56           H        CYS  56  -5.497   0.382  -7.848
   85    H    ASP  57           H        ASP  57  -3.237   3.918  -7.908
   86    H    VAL  59           H        VAL  59   2.044   4.520 -10.705
   87    H    TRP  60           H        TRP  60   0.846   6.326  -8.855
   88    HE1  TRP  60          1HE       TRP  60  -2.486   9.549  -3.671
   89    H    LEU  61           H        LEU  61   0.908   4.683  -6.251
   90    H    GLN  62           H        GLN  62   3.524   5.197  -5.888
   91    H    TYR  63           H        TYR  63   4.736   7.182  -6.274
   92    HH   TYR  63           HH       TYR  63  10.985   6.016  -9.436
   93    H    GLY  64           H        GLY  64   3.519   8.713  -5.090
   94    H    THR  65           H        THR  65   1.354   9.821  -6.443
   95    HG1  THR  65          1HG       THR  65   3.307  10.543  -8.489
   96    H    LYS  66           H        LYS  66  -0.317  13.293  -8.654
   97   1HZ   LYS  66          3HZ       LYS  66  -4.805   8.567  -7.670
   98   2HZ   LYS  66          1HZ       LYS  66  -5.814   8.325  -8.930
   99   3HZ   LYS  66          2HZ       LYS  66  -4.722   7.178  -8.542
  100    H    ARG  67           H        ARG  67  -2.751  11.311  -6.831
  101    HE   ARG  67           HE       ARG  67  -4.988  10.247  -2.424
  102    H    GLY  68           H        GLY  68  -4.201  14.272  -4.646
  103    H    LYS  69           H        LYS  69  -0.796  13.843  -2.956
  104   1HZ   LYS  69          1HZ       LYS  69   5.672  15.078  -1.036
  105   2HZ   LYS  69          2HZ       LYS  69   4.665  13.887  -0.555
  106   3HZ   LYS  69          3HZ       LYS  69   5.913  13.556  -1.568
  107    H    ALA  70           H        ALA  70   1.248  16.698  -5.850
  108    H    ALA  71           H        ALA  71   2.813  14.130  -6.553
   
  No H/Q in entry =         108
  Start of MODEL   11
    1    H    GLN   2           H        GLN   2   3.086  10.779   4.660
    2    H    THR   3           H        THR   3   2.133   9.807   1.260
    3    HG1  THR   3          1HG       THR   3   4.504   8.123  -1.753
    4    H    LEU   4           H        LEU   4   4.360   6.825   0.479
    5    H    SER   5           H        SER   5   3.585   5.282   2.773
    6    HG   SER   5           HG       SER   5   4.474   5.039   6.090
    7    H    GLU   6           H        GLU   6   2.113   6.024   4.046
    8    H    ARG   7           H        ARG   7   0.051   6.935   2.145
    9    HE   ARG   7           HE       ARG   7  -2.722  10.332  -1.032
   10    H    LEU   8           H        LEU   8  -0.452   4.712   1.156
   11    H    LYS   9           H        LYS   9  -1.275   2.850   3.099
   12   1HZ   LYS   9          2HZ       LYS   9  -2.270   3.180  10.230
   13   2HZ   LYS   9          3HZ       LYS   9  -1.139   4.018   9.384
   14   3HZ   LYS   9          1HZ       LYS   9  -2.543   4.734   9.807
   15    H    LYS  10           H        LYS  10  -3.753   4.512   3.706
   16   1HZ   LYS  10          1HZ       LYS  10  -2.310   8.174   6.085
   17   2HZ   LYS  10          2HZ       LYS  10  -2.787   8.826   7.510
   18   3HZ   LYS  10          3HZ       LYS  10  -3.313   7.327   7.064
   19    H    ARG  11           H        ARG  11  -5.201   4.121   1.240
   20    HE   ARG  11           HE       ARG  11  -7.983   2.293  -4.103
   21    H    ARG  12           H        ARG  12  -5.842   1.307   1.231
   22    HE   ARG  12           HE       ARG  12  -3.855  -2.128   4.047
   23    H    ILE  13           H        ILE  13  -7.806   1.635   3.310
   24    H    ALA  14           H        ALA  14  -9.733   2.980   2.296
   25    H    LEU  15           H        LEU  15 -10.674   1.189   0.272
   26    H    LYS  16           H        LYS  16 -12.513  -0.020   2.163
   27   1HZ   LYS  16          1HZ       LYS  16 -16.516  -2.052   6.695
   28   2HZ   LYS  16          2HZ       LYS  16 -16.322  -1.574   8.248
   29   3HZ   LYS  16          3HZ       LYS  16 -16.421  -0.468   7.039
   30    H    MET  17           H        MET  17 -10.628  -2.298   2.512
   31    H    THR  18           H        THR  18  -9.289  -6.521   2.458
   32    HG1  THR  18          1HG       THR  18  -8.889  -9.493   4.226
   33    H    GLN  19           H        GLN  19  -5.480  -5.864   4.710
   34    H    THR  20           H        THR  20  -5.200  -9.070   4.467
   35    HG1  THR  20          1HG       THR  20  -6.560 -10.934   6.008
   36    H    GLU  21           H        GLU  21  -7.117  -9.332   2.376
   37    H    LEU  22           H        LEU  22  -6.071  -7.879   0.576
   38    H    ALA  23           H        ALA  23  -3.447  -8.964   0.201
   39    H    THR  24           H        THR  24  -4.583 -11.709  -0.917
   40    HG1  THR  24          1HG       THR  24  -5.551 -14.514  -0.986
   41    H    LYS  25           H        LYS  25  -6.021 -10.515  -3.389
   42   1HZ   LYS  25          3HZ       LYS  25  -8.521  -5.994  -7.846
   43   2HZ   LYS  25          1HZ       LYS  25  -8.542  -7.396  -8.668
   44   3HZ   LYS  25          2HZ       LYS  25  -9.822  -6.378  -8.779
   45    H    ALA  26           H        ALA  26  -3.680  -9.115  -4.553
   46    H    GLY  27           H        GLY  27  -2.680 -11.562  -5.700
   47    H    VAL  28           H        VAL  28  -0.637 -11.566  -3.949
   48    H    LYS  29           H        LYS  29   2.466 -11.083  -1.088
   49   1HZ   LYS  29          2HZ       LYS  29   1.000 -15.272  -1.443
   50   2HZ   LYS  29          3HZ       LYS  29   0.943 -16.866  -1.817
   51   3HZ   LYS  29          1HZ       LYS  29  -0.091 -16.233  -0.726
   52    H    GLN  30           H        GLN  30   0.616 -12.189   2.876
   53    H    GLN  31           H        GLN  31   2.011 -11.168   4.894
   54    H    SER  32           H        SER  32   3.766  -9.990   2.930
   55    HG   SER  32           HG       SER  32   5.957 -10.692   1.474
   56    H    ILE  33           H        ILE  33   2.436  -7.689   1.784
   57    H    GLN  34           H        GLN  34   2.346  -6.453   4.297
   58    H    LEU  35           H        LEU  35   5.185  -5.554   4.735
   59    H    ILE  36           H        ILE  36   4.947  -3.123   2.970
   60    H    GLU  37           H        GLU  37   3.043  -1.683   3.810
   61    H    ALA  38           H        ALA  38   4.372  -1.287   6.356
   62    H    GLY  39           H        GLY  39   5.528   1.079   5.880
   63    H    VAL  40           H        VAL  40   8.031   0.103   5.797
   64    H    THR  41           H        THR  41   9.187  -1.209   4.050
   65    HG1  THR  41          1HG       THR  41  10.597  -3.363   2.430
   66    H    LYS  42           H        LYS  42  11.468   1.078   1.605
   67   1HZ   LYS  42          2HZ       LYS  42  16.140   2.536   1.635
   68   2HZ   LYS  42          3HZ       LYS  42  17.205   2.098   0.434
   69   3HZ   LYS  42          1HZ       LYS  42  16.445   3.570   0.396
   70    H    ARG  43           H        ARG  43  11.057   0.260  -1.307
   71    HE   ARG  43           HE       ARG  43  11.567   3.394  -5.537
   72    H    ARG  45           H        ARG  45   9.702  -4.848  -4.771
   73    HE   ARG  45           HE       ARG  45  10.846  -5.811  -9.502
   74    H    PHE  46           H        PHE  46   7.250  -6.415  -5.390
   75    H    LEU  47           H        LEU  47   5.844  -3.869  -6.756
   76    H    PHE  48           H        PHE  48   4.157  -3.143  -9.001
   77    H    GLU  49           H        GLU  49   2.277  -5.395  -8.917
   78    H    ILE  50           H        ILE  50   0.996  -4.976  -6.248
   79    H    ALA  51           H        ALA  51  -0.063  -2.484  -6.645
   80    H    MET  52           H        MET  52  -1.955  -2.875  -9.043
   81    H    ALA  53           H        ALA  53  -3.607  -4.738  -7.944
   82    H    LEU  54           H        LEU  54  -4.690  -2.945  -5.957
   83    H    ASN  55           H        ASN  55  -6.644  -1.879  -7.299
   84    H    CYS  56           H        CYS  56  -4.946   0.555  -7.397
   85    H    ASP  57           H        ASP  57  -3.585   4.599  -8.766
   86    H    VAL  59           H        VAL  59   2.541   4.201 -10.227
   87    H    TRP  60           H        TRP  60   1.319   6.120  -8.540
   88    HE1  TRP  60          1HE       TRP  60  -2.589  10.867  -5.431
   89    H    LEU  61           H        LEU  61   0.351   5.399  -5.935
   90    H    GLN  62           H        GLN  62   3.132   4.923  -5.165
   91    H    TYR  63           H        TYR  63   5.096   6.644  -5.686
   92    HH   TYR  63           HH       TYR  63  10.894   3.956  -8.047
   93    H    GLY  64           H        GLY  64   3.894   8.732  -4.923
   94    H    THR  65           H        THR  65   4.032  10.608  -6.827
   95    HG1  THR  65          1HG       THR  65   4.252  13.412 -10.443
   96    H    LYS  66           H        LYS  66   1.465  13.343  -9.430
   97   1HZ   LYS  66          1HZ       LYS  66  -0.573   8.241 -13.542
   98   2HZ   LYS  66          2HZ       LYS  66  -1.516   9.184 -14.486
   99   3HZ   LYS  66          3HZ       LYS  66  -0.007   8.764 -14.985
  100    H    ARG  67           H        ARG  67  -0.094  13.848  -6.959
  101    HE   ARG  67           HE       ARG  67  -0.046  16.186  -1.970
  102    H    GLY  68           H        GLY  68  -3.469  12.177  -4.461
  103    H    LYS  69           H        LYS  69  -4.238  12.049  -7.555
  104   1HZ   LYS  69          2HZ       LYS  69  -6.011  11.276 -13.922
  105   2HZ   LYS  69          3HZ       LYS  69  -5.108   9.928 -13.688
  106   3HZ   LYS  69          1HZ       LYS  69  -6.365   9.899 -14.734
  107    H    ALA  70           H        ALA  70  -7.151   9.221  -7.676
  108    H    ALA  71           H        ALA  71  -7.302   7.237 -10.161
   
  No H/Q in entry =         108
  Start of MODEL   12
    1    H    GLN   2           H        GLN   2   0.944  11.341   3.162
    2    H    THR   3           H        THR   3   2.272   9.854   2.788
    3    HG1  THR   3          1HG       THR   3   3.952   7.330   4.845
    4    H    LEU   4           H        LEU   4   4.832   6.627   0.768
    5    H    SER   5           H        SER   5   3.735   5.077   3.007
    6    HG   SER   5           HG       SER   5   4.723   4.950   5.935
    7    H    GLU   6           H        GLU   6   1.924   6.175   3.912
    8    H    ARG   7           H        ARG   7   0.145   6.533   2.090
    9    HE   ARG   7           HE       ARG   7  -1.000  10.848  -0.338
   10    H    LEU   8           H        LEU   8  -0.512   4.180   0.974
   11    H    LYS   9           H        LYS   9  -1.548   2.871   3.310
   12   1HZ   LYS   9          1HZ       LYS   9  -0.940   1.287  10.161
   13   2HZ   LYS   9          2HZ       LYS   9  -1.976   2.458  10.612
   14   3HZ   LYS   9          3HZ       LYS   9  -2.214   0.922  11.102
   15    H    LYS  10           H        LYS  10  -3.917   4.524   4.104
   16   1HZ   LYS  10          2HZ       LYS  10  -7.082   7.207   7.351
   17   2HZ   LYS  10          3HZ       LYS  10  -6.499   8.517   8.159
   18   3HZ   LYS  10          1HZ       LYS  10  -7.944   8.586   7.418
   19    H    ARG  11           H        ARG  11  -5.326   4.359   1.700
   20    HE   ARG  11           HE       ARG  11  -7.465   3.588  -4.295
   21    H    ARG  12           H        ARG  12  -5.993   1.442   1.744
   22    HE   ARG  12           HE       ARG  12  -4.040  -1.596   4.435
   23    H    ILE  13           H        ILE  13  -8.067   1.739   3.732
   24    H    ALA  14           H        ALA  14  -9.879   3.360   2.698
   25    H    LEU  15           H        LEU  15 -10.703   1.522   0.500
   26    H    LYS  16           H        LYS  16 -12.754   0.288   1.985
   27   1HZ   LYS  16          3HZ       LYS  16 -14.538   2.353   2.834
   28   2HZ   LYS  16          1HZ       LYS  16 -15.537   3.204   3.804
   29   3HZ   LYS  16          2HZ       LYS  16 -15.049   1.715   4.250
   30    H    MET  17           H        MET  17 -10.921  -1.920   2.187
   31    H    THR  18           H        THR  18  -9.692  -6.091   2.613
   32    HG1  THR  18          1HG       THR  18  -9.644  -8.640   4.506
   33    H    GLN  19           H        GLN  19  -5.812  -5.951   5.044
   34    H    THR  20           H        THR  20  -5.223  -8.685   4.536
   35    HG1  THR  20          1HG       THR  20  -5.263 -12.891   3.302
   36    H    GLU  21           H        GLU  21  -7.028  -8.720   2.239
   37    H    LEU  22           H        LEU  22  -6.085  -7.541   0.409
   38    H    ALA  23           H        ALA  23  -3.510  -8.594   0.110
   39    H    THR  24           H        THR  24  -4.560 -11.438  -0.925
   40    HG1  THR  24          1HG       THR  24  -5.660 -14.645  -0.940
   41    H    LYS  25           H        LYS  25  -5.745 -10.499  -3.459
   42   1HZ   LYS  25          3HZ       LYS  25  -9.453  -5.899  -5.245
   43   2HZ   LYS  25          1HZ       LYS  25 -10.657  -6.473  -4.316
   44   3HZ   LYS  25          2HZ       LYS  25  -9.489  -5.545  -3.661
   45    H    ALA  26           H        ALA  26  -3.676  -8.975  -4.642
   46    H    GLY  27           H        GLY  27  -2.274 -11.426  -5.176
   47    H    VAL  28           H        VAL  28   0.042 -10.863  -3.984
   48    H    LYS  29           H        LYS  29   3.278 -12.455  -1.318
   49   1HZ   LYS  29          2HZ       LYS  29   3.684 -15.619   1.720
   50   2HZ   LYS  29          3HZ       LYS  29   4.925 -16.543   1.169
   51   3HZ   LYS  29          1HZ       LYS  29   4.572 -16.482   2.768
   52    H    GLN  30           H        GLN  30   0.582 -12.178   2.403
   53    H    GLN  31           H        GLN  31   2.407 -11.144   4.593
   54    H    SER  32           H        SER  32   4.267  -9.774   2.435
   55    HG   SER  32           HG       SER  32   6.434 -10.185   0.563
   56    H    ILE  33           H        ILE  33   2.736  -7.529   1.805
   57    H    GLN  34           H        GLN  34   2.424  -6.435   4.238
   58    H    LEU  35           H        LEU  35   5.258  -5.550   4.780
   59    H    ILE  36           H        ILE  36   4.843  -2.965   3.133
   60    H    GLU  37           H        GLU  37   3.028  -1.527   3.956
   61    H    ALA  38           H        ALA  38   4.248  -1.385   6.721
   62    H    GLY  39           H        GLY  39   5.454   1.105   6.011
   63    H    VAL  40           H        VAL  40   8.042   0.033   5.280
   64    H    THR  41           H        THR  41   9.131  -1.453   3.770
   65    HG1  THR  41          1HG       THR  41  10.356  -3.899   2.081
   66    H    LYS  42           H        LYS  42  11.451   1.049   1.703
   67   1HZ   LYS  42          3HZ       LYS  42  15.708   2.276   2.427
   68   2HZ   LYS  42          1HZ       LYS  42  15.186   1.115   1.405
   69   3HZ   LYS  42          2HZ       LYS  42  16.772   1.499   1.445
   70    H    ARG  43           H        ARG  43  11.432   0.412  -1.321
   71    HE   ARG  43           HE       ARG  43  15.427  -0.133  -3.664
   72    H    ARG  45           H        ARG  45   9.474  -3.849  -4.500
   73    HE   ARG  45           HE       ARG  45  11.063  -7.541  -9.493
   74    H    PHE  46           H        PHE  46   7.138  -5.802  -5.381
   75    H    LEU  47           H        LEU  47   5.738  -3.205  -6.955
   76    H    PHE  48           H        PHE  48   3.942  -3.301  -9.196
   77    H    GLU  49           H        GLU  49   2.226  -5.431  -9.112
   78    H    ILE  50           H        ILE  50   1.027  -4.699  -6.417
   79    H    ALA  51           H        ALA  51  -0.122  -2.166  -7.004
   80    H    MET  52           H        MET  52  -2.046  -2.720  -9.208
   81    H    ALA  53           H        ALA  53  -3.656  -4.749  -7.771
   82    H    LEU  54           H        LEU  54  -4.623  -2.864  -5.870
   83    H    ASN  55           H        ASN  55  -6.764  -1.953  -7.331
   84    H    CYS  56           H        CYS  56  -5.195   0.401  -8.267
   85    H    ASP  57           H        ASP  57  -3.000   4.090  -8.205
   86    H    VAL  59           H        VAL  59   2.426   4.306 -10.578
   87    H    TRP  60           H        TRP  60   1.348   5.982  -8.422
   88    HE1  TRP  60          1HE       TRP  60  -2.808   8.625  -3.638
   89    H    LEU  61           H        LEU  61   1.236   3.783  -6.341
   90    H    GLN  62           H        GLN  62   4.081   3.999  -5.702
   91    H    TYR  63           H        TYR  63   4.830   6.093  -5.255
   92    HH   TYR  63           HH       TYR  63  10.010   4.285  -7.532
   93    H    GLY  64           H        GLY  64   3.388   7.217  -3.732
   94    H    THR  65           H        THR  65   1.910   8.994  -5.554
   95    HG1  THR  65          1HG       THR  65   2.568   8.988  -8.685
   96    H    LYS  66           H        LYS  66  -0.520   9.662  -6.912
   97   1HZ   LYS  66          1HZ       LYS  66  -3.657   7.813 -12.319
   98   2HZ   LYS  66          2HZ       LYS  66  -4.143   9.339 -12.609
   99   3HZ   LYS  66          3HZ       LYS  66  -2.987   8.652 -13.547
  100    H    ARG  67           H        ARG  67  -2.394  13.308  -6.176
  101    HE   ARG  67           HE       ARG  67  -2.562  17.520  -6.822
  102    H    GLY  68           H        GLY  68  -2.660  11.878  -2.575
  103    H    LYS  69           H        LYS  69  -6.600  11.035  -2.455
  104   1HZ   LYS  69          3HZ       LYS  69 -13.207   9.000  -0.348
  105   2HZ   LYS  69          1HZ       LYS  69 -12.787  10.523  -0.695
  106   3HZ   LYS  69          2HZ       LYS  69 -13.704   9.683  -1.750
  107    H    ALA  70           H        ALA  70  -5.672   7.738  -3.806
  108    H    ALA  71           H        ALA  71  -7.382   9.792  -5.966
   
  No H/Q in entry =         108
  Start of MODEL   13
    1    H    GLN   2           H        GLN   2   1.883  12.385   1.841
    2    H    THR   3           H        THR   3   2.575   8.931   1.497
    3    HG1  THR   3          1HG       THR   3   3.599   8.534   4.545
    4    H    LEU   4           H        LEU   4   5.544   5.733   1.055
    5    H    SER   5           H        SER   5   3.817   4.748   3.333
    6    HG   SER   5           HG       SER   5   4.517   4.978   6.216
    7    H    GLU   6           H        GLU   6   1.996   5.856   4.265
    8    H    ARG   7           H        ARG   7   0.554   6.644   2.017
    9    HE   ARG   7           HE       ARG   7  -0.590  10.191  -2.585
   10    H    LEU   8           H        LEU   8  -0.056   4.024   0.899
   11    H    LYS   9           H        LYS   9  -1.482   2.718   3.081
   12   1HZ   LYS   9          2HZ       LYS   9  -1.984   2.097  10.089
   13   2HZ   LYS   9          3HZ       LYS   9  -2.946   3.414  10.270
   14   3HZ   LYS   9          1HZ       LYS   9  -3.399   1.983  10.909
   15    H    LYS  10           H        LYS  10  -3.732   4.655   3.192
   16   1HZ   LYS  10          3HZ       LYS  10  -7.398   7.944   6.563
   17   2HZ   LYS  10          1HZ       LYS  10  -5.927   8.288   7.194
   18   3HZ   LYS  10          2HZ       LYS  10  -6.804   9.476   6.530
   19    H    ARG  11           H        ARG  11  -5.149   3.918   0.748
   20    HE   ARG  11           HE       ARG  11  -8.535   2.423  -4.347
   21    H    ARG  12           H        ARG  12  -5.978   1.351   1.131
   22    HE   ARG  12           HE       ARG  12  -5.459  -3.196   3.641
   23    H    ILE  13           H        ILE  13  -7.963   1.768   3.246
   24    H    ALA  14           H        ALA  14  -9.802   3.315   1.775
   25    H    LEU  15           H        LEU  15 -10.692   1.440  -0.050
   26    H    LYS  16           H        LYS  16 -12.744   0.297   1.430
   27   1HZ   LYS  16          3HZ       LYS  16 -18.294  -0.161   3.926
   28   2HZ   LYS  16          1HZ       LYS  16 -16.984   0.757   3.680
   29   3HZ   LYS  16          2HZ       LYS  16 -18.454   1.442   3.610
   30    H    MET  17           H        MET  17 -10.814  -1.769   1.806
   31    H    THR  18           H        THR  18  -9.319  -5.853   2.769
   32    HG1  THR  18          1HG       THR  18  -9.564  -8.166   4.706
   33    H    GLN  19           H        GLN  19  -5.540  -5.768   5.259
   34    H    THR  20           H        THR  20  -5.265  -8.638   4.784
   35    HG1  THR  20          1HG       THR  20  -7.688 -10.921   5.287
   36    H    GLU  21           H        GLU  21  -7.174  -9.028   2.792
   37    H    LEU  22           H        LEU  22  -5.930  -7.253   0.822
   38    H    ALA  23           H        ALA  23  -3.485  -8.482   0.479
   39    H    THR  24           H        THR  24  -4.403 -10.998  -0.719
   40    HG1  THR  24          1HG       THR  24  -5.080 -12.836   0.150
   41    H    LYS  25           H        LYS  25  -5.328 -10.078  -3.166
   42   1HZ   LYS  25          3HZ       LYS  25  -9.139  -8.846  -2.427
   43   2HZ   LYS  25          1HZ       LYS  25 -10.771  -8.617  -2.390
   44   3HZ   LYS  25          2HZ       LYS  25 -10.139  -9.800  -3.312
   45    H    ALA  26           H        ALA  26  -3.381  -8.736  -4.357
   46    H    GLY  27           H        GLY  27  -2.146 -11.236  -5.003
   47    H    VAL  28           H        VAL  28  -0.139 -11.466  -3.366
   48    H    LYS  29           H        LYS  29   3.308 -11.936  -0.709
   49   1HZ   LYS  29          1HZ       LYS  29   6.892 -16.454   2.636
   50   2HZ   LYS  29          2HZ       LYS  29   7.442 -17.162   1.279
   51   3HZ   LYS  29          3HZ       LYS  29   7.737 -15.571   1.548
   52    H    GLN  30           H        GLN  30   0.830 -12.525   3.119
   53    H    GLN  31           H        GLN  31   2.419 -11.402   4.903
   54    H    SER  32           H        SER  32   4.125 -10.169   2.873
   55    HG   SER  32           HG       SER  32   6.355 -10.524   0.652
   56    H    ILE  33           H        ILE  33   2.582  -7.866   2.050
   57    H    GLN  34           H        GLN  34   2.361  -6.674   4.548
   58    H    LEU  35           H        LEU  35   5.268  -5.628   4.669
   59    H    ILE  36           H        ILE  36   4.665  -3.181   3.355
   60    H    GLU  37           H        GLU  37   2.899  -1.800   4.266
   61    H    ALA  38           H        ALA  38   4.473  -1.536   6.627
   62    H    GLY  39           H        GLY  39   5.739   0.839   5.658
   63    H    VAL  40           H        VAL  40   8.371  -0.394   5.057
   64    H    THR  41           H        THR  41   9.062  -1.482   3.364
   65    HG1  THR  41          1HG       THR  41  10.690  -4.203   1.894
   66    H    LYS  42           H        LYS  42  11.516   0.424   1.395
   67   1HZ   LYS  42          2HZ       LYS  42  12.976   2.404   3.941
   68   2HZ   LYS  42          3HZ       LYS  42  14.559   2.612   4.321
   69   3HZ   LYS  42          1HZ       LYS  42  13.414   3.456   5.103
   70    H    ARG  43           H        ARG  43  11.842   0.282  -1.805
   71    HE   ARG  43           HE       ARG  43  10.100   2.025  -6.324
   72    H    ARG  45           H        ARG  45   9.708  -4.260  -5.035
   73    HE   ARG  45           HE       ARG  45  10.088  -3.092  -8.834
   74    H    PHE  46           H        PHE  46   6.939  -5.489  -5.463
   75    H    LEU  47           H        LEU  47   5.685  -3.231  -6.885
   76    H    PHE  48           H        PHE  48   3.931  -3.203  -9.239
   77    H    GLU  49           H        GLU  49   2.139  -5.229  -9.087
   78    H    ILE  50           H        ILE  50   0.890  -4.608  -6.420
   79    H    ALA  51           H        ALA  51  -0.240  -2.096  -7.257
   80    H    MET  52           H        MET  52  -2.152  -3.086  -9.512
   81    H    ALA  53           H        ALA  53  -3.651  -4.757  -7.955
   82    H    LEU  54           H        LEU  54  -4.752  -2.932  -6.167
   83    H    ASN  55           H        ASN  55  -6.755  -2.109  -7.763
   84    H    CYS  56           H        CYS  56  -5.259   0.348  -8.327
   85    H    ASP  57           H        ASP  57  -3.277   4.127  -7.915
   86    H    VAL  59           H        VAL  59   2.409   4.588  -9.780
   87    H    TRP  60           H        TRP  60   1.038   6.281  -7.892
   88    HE1  TRP  60          1HE       TRP  60  -2.971   9.892  -3.714
   89    H    LEU  61           H        LEU  61   0.612   4.354  -5.527
   90    H    GLN  62           H        GLN  62   3.110   4.868  -4.580
   91    H    TYR  63           H        TYR  63   4.509   6.867  -4.708
   92    HH   TYR  63           HH       TYR  63   9.951   4.970  -7.515
   93    H    GLY  64           H        GLY  64   2.850   8.017  -3.370
   94    H    THR  65           H        THR  65   2.586   9.650  -5.676
   95    HG1  THR  65          1HG       THR  65   4.663  10.874  -7.821
   96    H    LYS  66           H        LYS  66  -0.734  11.569  -7.837
   97   1HZ   LYS  66          1HZ       LYS  66  -4.907   7.585  -7.474
   98   2HZ   LYS  66          2HZ       LYS  66  -5.468   7.875  -5.975
   99   3HZ   LYS  66          3HZ       LYS  66  -6.520   7.730  -7.235
  100    H    ARG  67           H        ARG  67   0.602   9.108 -10.391
  101    HE   ARG  67           HE       ARG  67   0.462  11.873 -11.331
  102    H    GLY  68           H        GLY  68  -2.050   9.495 -12.992
  103    H    LYS  69           H        LYS  69  -3.771   5.543 -14.359
  104   1HZ   LYS  69          1HZ       LYS  69  -7.138   4.705  -9.153
  105   2HZ   LYS  69          2HZ       LYS  69  -8.526   5.401  -8.649
  106   3HZ   LYS  69          3HZ       LYS  69  -8.493   3.823  -9.106
  107    H    ALA  70           H        ALA  70  -4.165   2.235 -11.575
  108    H    ALA  71           H        ALA  71  -6.119   0.097 -14.305
   
  No H/Q in entry =         108
  Start of MODEL   14
    1    H    GLN   2           H        GLN   2   2.532  12.636   1.631
    2    H    THR   3           H        THR   3   2.928   9.159   1.204
    3    HG1  THR   3          1HG       THR   3   3.503   8.580   3.947
    4    H    LEU   4           H        LEU   4   5.659   5.839   0.731
    5    H    SER   5           H        SER   5   4.090   4.830   3.097
    6    HG   SER   5           HG       SER   5   4.547   5.251   6.172
    7    H    GLU   6           H        GLU   6   2.315   6.033   4.085
    8    H    ARG   7           H        ARG   7   0.881   6.807   1.732
    9    HE   ARG   7           HE       ARG   7  -0.514  10.626  -2.416
   10    H    LEU   8           H        LEU   8   0.066   4.279   0.756
   11    H    LYS   9           H        LYS   9  -1.200   2.998   2.907
   12   1HZ   LYS   9          2HZ       LYS   9  -4.685   2.367   8.171
   13   2HZ   LYS   9          3HZ       LYS   9  -4.588   2.378   9.808
   14   3HZ   LYS   9          1HZ       LYS   9  -4.242   3.717   8.957
   15    H    LYS  10           H        LYS  10  -3.399   4.783   3.133
   16   1HZ   LYS  10          3HZ       LYS  10  -5.373  11.475   2.039
   17   2HZ   LYS  10          1HZ       LYS  10  -5.834  11.127   0.508
   18   3HZ   LYS  10          2HZ       LYS  10  -6.881  11.873   1.526
   19    H    ARG  11           H        ARG  11  -4.931   4.257   0.690
   20    HE   ARG  11           HE       ARG  11  -6.777   4.980  -4.492
   21    H    ARG  12           H        ARG  12  -5.602   1.613   1.156
   22    HE   ARG  12           HE       ARG  12  -3.553  -0.741   3.798
   23    H    ILE  13           H        ILE  13  -7.522   2.053   3.307
   24    H    ALA  14           H        ALA  14  -9.540   3.589   2.098
   25    H    LEU  15           H        LEU  15 -10.269   1.537   0.086
   26    H    LYS  16           H        LYS  16 -12.216   0.217   1.710
   27   1HZ   LYS  16          3HZ       LYS  16 -18.539  -3.254   1.384
   28   2HZ   LYS  16          1HZ       LYS  16 -18.300  -2.175   0.182
   29   3HZ   LYS  16          2HZ       LYS  16 -18.838  -3.675  -0.179
   30    H    MET  17           H        MET  17 -10.173  -1.790   2.227
   31    H    THR  18           H        THR  18  -8.806  -5.919   2.879
   32    HG1  THR  18          1HG       THR  18  -9.122  -8.237   4.822
   33    H    GLN  19           H        GLN  19  -4.839  -5.738   5.094
   34    H    THR  20           H        THR  20  -4.530  -8.748   4.747
   35    HG1  THR  20          1HG       THR  20  -4.092 -11.225   6.110
   36    H    GLU  21           H        GLU  21  -6.711  -9.000   2.782
   37    H    LEU  22           H        LEU  22  -5.743  -7.464   0.719
   38    H    ALA  23           H        ALA  23  -3.302  -8.609   0.256
   39    H    THR  24           H        THR  24  -4.355 -11.168  -0.831
   40    HG1  THR  24          1HG       THR  24  -5.423 -12.597   0.266
   41    H    LYS  25           H        LYS  25  -5.613 -10.388  -3.193
   42   1HZ   LYS  25          3HZ       LYS  25 -10.357  -7.107  -2.962
   43   2HZ   LYS  25          1HZ       LYS  25 -11.130  -7.046  -4.393
   44   3HZ   LYS  25          2HZ       LYS  25 -11.736  -7.978  -3.192
   45    H    ALA  26           H        ALA  26  -3.425  -9.049  -4.461
   46    H    GLY  27           H        GLY  27  -2.302 -11.521  -5.285
   47    H    VAL  28           H        VAL  28  -0.399 -11.773  -3.416
   48    H    LYS  29           H        LYS  29   3.099 -11.897  -0.700
   49   1HZ   LYS  29          3HZ       LYS  29   1.649 -14.711   5.887
   50   2HZ   LYS  29          1HZ       LYS  29   0.310 -15.098   5.037
   51   3HZ   LYS  29          2HZ       LYS  29   1.102 -16.267   5.861
   52    H    GLN  30           H        GLN  30   0.230 -12.455   2.766
   53    H    GLN  31           H        GLN  31   2.181 -11.307   5.095
   54    H    SER  32           H        SER  32   3.983 -10.061   2.917
   55    HG   SER  32           HG       SER  32   6.164 -10.738   1.121
   56    H    ILE  33           H        ILE  33   2.531  -7.918   1.914
   57    H    GLN  34           H        GLN  34   2.114  -6.657   4.306
   58    H    LEU  35           H        LEU  35   4.697  -5.718   4.814
   59    H    ILE  36           H        ILE  36   4.552  -3.333   3.019
   60    H    GLU  37           H        GLU  37   2.681  -1.824   4.280
   61    H    ALA  38           H        ALA  38   3.829  -1.562   6.926
   62    H    GLY  39           H        GLY  39   5.300   0.752   6.035
   63    H    VAL  40           H        VAL  40   7.811  -0.492   5.507
   64    H    THR  41           H        THR  41   8.504  -1.545   3.683
   65    HG1  THR  41          1HG       THR  41  10.075  -4.256   2.461
   66    H    LYS  42           H        LYS  42  11.195   0.225   1.695
   67   1HZ   LYS  42          3HZ       LYS  42  12.192   5.718   3.389
   68   2HZ   LYS  42          1HZ       LYS  42  11.050   4.612   3.754
   69   3HZ   LYS  42          2HZ       LYS  42  11.912   5.293   4.959
   70    H    ARG  43           H        ARG  43  11.535  -0.438  -1.180
   71    HE   ARG  43           HE       ARG  43  10.439   1.756  -5.971
   72    H    ARG  45           H        ARG  45   9.569  -4.771  -4.920
   73    HE   ARG  45           HE       ARG  45   9.378  -9.653  -7.365
   74    H    PHE  46           H        PHE  46   7.020  -6.134  -5.469
   75    H    LEU  47           H        LEU  47   5.765  -3.417  -6.563
   76    H    PHE  48           H        PHE  48   4.170  -2.957  -9.084
   77    H    GLU  49           H        GLU  49   2.443  -5.211  -8.885
   78    H    ILE  50           H        ILE  50   1.055  -4.779  -6.270
   79    H    ALA  51           H        ALA  51  -0.150  -2.247  -7.095
   80    H    MET  52           H        MET  52  -1.928  -3.012  -9.347
   81    H    ALA  53           H        ALA  53  -3.483  -5.025  -8.240
   82    H    LEU  54           H        LEU  54  -4.791  -3.149  -6.430
   83    H    ASN  55           H        ASN  55  -6.682  -2.248  -8.119
   84    H    CYS  56           H        CYS  56  -5.273   0.435  -8.231
   85    H    ASP  57           H        ASP  57  -3.985   4.576  -8.055
   86    H    VAL  59           H        VAL  59   1.989   4.991  -9.933
   87    H    TRP  60           H        TRP  60   0.562   6.512  -7.939
   88    HE1  TRP  60          1HE       TRP  60  -3.039  10.545  -3.720
   89    H    LEU  61           H        LEU  61   0.035   4.955  -5.668
   90    H    GLN  62           H        GLN  62   2.677   4.951  -5.011
   91    H    TYR  63           H        TYR  63   4.143   7.062  -5.010
   92    HH   TYR  63           HH       TYR  63   8.575   3.989  -6.794
   93    H    GLY  64           H        GLY  64   2.687   8.407  -3.679
   94    H    THR  65           H        THR  65   2.786  10.242  -5.721
   95    HG1  THR  65          1HG       THR  65   4.763  11.463  -8.029
   96    H    LYS  66           H        LYS  66  -0.654  12.207  -7.526
   97   1HZ   LYS  66          2HZ       LYS  66  -6.902  11.066 -10.084
   98   2HZ   LYS  66          3HZ       LYS  66  -7.593   9.588 -10.304
   99   3HZ   LYS  66          1HZ       LYS  66  -6.718   9.907  -8.961
  100    H    ARG  67           H        ARG  67   0.442   9.929 -10.237
  101    HE   ARG  67           HE       ARG  67   0.718  12.061 -14.295
  102    H    GLY  68           H        GLY  68   0.225   8.080 -11.814
  103    H    LYS  69           H        LYS  69   2.361   5.891 -14.945
  104   1HZ   LYS  69          1HZ       LYS  69   2.267  12.690 -17.380
  105   2HZ   LYS  69          2HZ       LYS  69   1.046  12.915 -18.435
  106   3HZ   LYS  69          3HZ       LYS  69   0.734  12.496 -16.873
  107    H    ALA  70           H        ALA  70  -0.946   8.694 -16.228
  108    H    ALA  71           H        ALA  71  -0.534   6.855 -19.500
   
  No H/Q in entry =         108
  Start of MODEL   15
    1    H    GLN   2           H        GLN   2   1.022  12.164   1.339
    2    H    THR   3           H        THR   3   3.050   9.359   2.468
    3    HG1  THR   3          1HG       THR   3   4.173   6.589   4.862
    4    H    LEU   4           H        LEU   4   5.335   5.756   0.849
    5    H    SER   5           H        SER   5   3.974   4.260   3.241
    6    HG   SER   5           HG       SER   5   4.519   4.374   6.209
    7    H    GLU   6           H        GLU   6   2.104   5.600   3.953
    8    H    ARG   7           H        ARG   7   0.469   6.475   1.880
    9    HE   ARG   7           HE       ARG   7  -3.414  10.113  -0.397
   10    H    LEU   8           H        LEU   8  -0.369   4.046   0.685
   11    H    LYS   9           H        LYS   9  -1.713   2.900   3.206
   12   1HZ   LYS   9          2HZ       LYS   9   0.800   2.156   7.642
   13   2HZ   LYS   9          3HZ       LYS   9   0.430   3.115   6.358
   14   3HZ   LYS   9          1HZ       LYS   9   0.941   3.773   7.760
   15    H    LYS  10           H        LYS  10  -3.902   4.926   3.405
   16   1HZ   LYS  10          3HZ       LYS  10  -7.179   8.449  -0.511
   17   2HZ   LYS  10          1HZ       LYS  10  -7.494   9.976  -0.971
   18   3HZ   LYS  10          2HZ       LYS  10  -5.980   9.390  -1.120
   19    H    ARG  11           H        ARG  11  -5.444   4.173   0.931
   20    HE   ARG  11           HE       ARG  11  -7.780   2.322  -4.872
   21    H    ARG  12           H        ARG  12  -5.982   1.645   1.173
   22    HE   ARG  12           HE       ARG  12  -5.426  -3.359   3.332
   23    H    ILE  13           H        ILE  13  -8.031   2.028   3.394
   24    H    ALA  14           H        ALA  14 -10.124   3.441   2.164
   25    H    LEU  15           H        LEU  15 -10.796   1.324   0.158
   26    H    LYS  16           H        LYS  16 -12.369  -0.030   1.904
   27   1HZ   LYS  16          1HZ       LYS  16 -16.939  -0.222   0.994
   28   2HZ   LYS  16          2HZ       LYS  16 -17.452   1.296   1.346
   29   3HZ   LYS  16          3HZ       LYS  16 -15.959   0.785   1.818
   30    H    MET  17           H        MET  17 -10.425  -1.917   2.317
   31    H    THR  18           H        THR  18  -9.067  -6.005   2.931
   32    HG1  THR  18          1HG       THR  18  -8.747  -8.592   4.823
   33    H    GLN  19           H        GLN  19  -4.933  -5.712   5.075
   34    H    THR  20           H        THR  20  -4.610  -8.561   4.789
   35    HG1  THR  20          1HG       THR  20  -4.745 -10.473   6.395
   36    H    GLU  21           H        GLU  21  -6.738  -8.908   2.782
   37    H    LEU  22           H        LEU  22  -5.790  -7.367   0.811
   38    H    ALA  23           H        ALA  23  -3.384  -8.547   0.335
   39    H    THR  24           H        THR  24  -4.306 -11.178  -0.681
   40    HG1  THR  24          1HG       THR  24  -5.175 -14.074  -0.511
   41    H    LYS  25           H        LYS  25  -5.586 -10.094  -3.156
   42   1HZ   LYS  25          1HZ       LYS  25 -10.247  -8.445  -5.616
   43   2HZ   LYS  25          2HZ       LYS  25 -11.360  -9.174  -4.695
   44   3HZ   LYS  25          3HZ       LYS  25 -11.134  -7.545  -4.571
   45    H    ALA  26           H        ALA  26  -3.340  -8.679  -4.422
   46    H    GLY  27           H        GLY  27  -2.163 -11.133  -5.267
   47    H    VAL  28           H        VAL  28  -0.498 -11.848  -3.486
   48    H    LYS  29           H        LYS  29   2.558 -11.767  -0.480
   49   1HZ   LYS  29          1HZ       LYS  29   4.499 -17.233   3.279
   50   2HZ   LYS  29          2HZ       LYS  29   3.323 -18.043   4.075
   51   3HZ   LYS  29          3HZ       LYS  29   3.515 -18.253   2.458
   52    H    GLN  30           H        GLN  30  -0.092 -12.383   3.139
   53    H    GLN  31           H        GLN  31   2.134 -11.330   5.213
   54    H    SER  32           H        SER  32   3.893 -10.322   2.898
   55    HG   SER  32           HG       SER  32   5.702 -11.085   0.558
   56    H    ILE  33           H        ILE  33   2.334  -7.969   1.990
   57    H    GLN  34           H        GLN  34   2.070  -6.727   4.278
   58    H    LEU  35           H        LEU  35   4.902  -5.827   4.506
   59    H    ILE  36           H        ILE  36   4.809  -3.362   2.850
   60    H    GLU  37           H        GLU  37   2.811  -1.922   4.059
   61    H    ALA  38           H        ALA  38   4.375  -1.825   6.605
   62    H    GLY  39           H        GLY  39   5.529   0.705   5.884
   63    H    VAL  40           H        VAL  40   8.291  -0.244   5.808
   64    H    THR  41           H        THR  41   9.118  -1.168   3.816
   65    HG1  THR  41          1HG       THR  41  10.441  -3.546   2.473
   66    H    LYS  42           H        LYS  42  11.927   0.558   1.144
   67   1HZ   LYS  42          3HZ       LYS  42  14.415   1.422   4.256
   68   2HZ   LYS  42          1HZ       LYS  42  14.304   2.781   5.164
   69   3HZ   LYS  42          2HZ       LYS  42  12.974   2.168   4.463
   70    H    ARG  43           H        ARG  43  11.150   0.132  -1.726
   71    HE   ARG  43           HE       ARG  43  11.878   2.846  -6.463
   72    H    ARG  45           H        ARG  45   9.420  -5.004  -4.850
   73    HE   ARG  45           HE       ARG  45  11.951  -6.352  -4.924
   74    H    PHE  46           H        PHE  46   6.921  -6.114  -5.500
   75    H    LEU  47           H        LEU  47   5.855  -3.583  -6.934
   76    H    PHE  48           H        PHE  48   4.293  -2.883  -9.298
   77    H    GLU  49           H        GLU  49   2.434  -5.036  -8.914
   78    H    ILE  50           H        ILE  50   1.207  -4.489  -6.305
   79    H    ALA  51           H        ALA  51  -0.029  -1.965  -7.058
   80    H    MET  52           H        MET  52  -1.885  -2.609  -9.096
   81    H    ALA  53           H        ALA  53  -3.472  -4.482  -7.717
   82    H    LEU  54           H        LEU  54  -4.618  -2.659  -5.947
   83    H    ASN  55           H        ASN  55  -6.653  -1.851  -7.665
   84    H    CYS  56           H        CYS  56  -5.172   0.593  -8.093
   85    H    ASP  57           H        ASP  57  -2.925   4.110  -8.067
   86    H    VAL  59           H        VAL  59   2.392   4.589 -10.270
   87    H    TRP  60           H        TRP  60   1.213   6.311  -8.399
   88    HE1  TRP  60          1HE       TRP  60  -3.025   8.799  -3.550
   89    H    LEU  61           H        LEU  61   0.893   4.213  -6.175
   90    H    GLN  62           H        GLN  62   3.683   4.637  -5.313
   91    H    TYR  63           H        TYR  63   4.204   6.957  -4.981
   92    HH   TYR  63           HH       TYR  63  10.256   5.753  -6.190
   93    H    GLY  64           H        GLY  64   2.374   8.090  -3.975
   94    H    THR  65           H        THR  65   1.893   9.557  -6.167
   95    HG1  THR  65          1HG       THR  65   0.828   9.024  -8.810
   96    H    LYS  66           H        LYS  66  -1.075  12.069  -6.216
   97   1HZ   LYS  66          2HZ       LYS  66  -7.160   9.827  -7.748
   98   2HZ   LYS  66          3HZ       LYS  66  -8.245   8.611  -7.525
   99   3HZ   LYS  66          1HZ       LYS  66  -8.194   9.880  -6.490
  100    H    ARG  67           H        ARG  67  -4.404  12.910  -5.831
  101    HE   ARG  67           HE       ARG  67  -7.139  16.497  -3.154
  102    H    GLY  68           H        GLY  68  -3.118  17.052  -6.703
  103    H    LYS  69           H        LYS  69   1.018  17.710  -6.988
  104   1HZ   LYS  69          1HZ       LYS  69   4.135  14.417  -9.162
  105   2HZ   LYS  69          2HZ       LYS  69   3.867  13.156 -10.148
  106   3HZ   LYS  69          3HZ       LYS  69   4.773  14.428 -10.654
  107    H    ALA  70           H        ALA  70   0.963  13.969  -4.490
  108    H    ALA  71           H        ALA  71   5.155  14.916  -3.511
   
  No H/Q in entry =         108
  Start of MODEL   16
    1    H    GLN   2           H        GLN   2   2.355  11.931   2.375
    2    H    THR   3           H        THR   3   1.972   8.722   1.824
    3    HG1  THR   3          1HG       THR   3   4.089   7.534   4.212
    4    H    LEU   4           H        LEU   4   4.649   5.650  -0.049
    5    H    SER   5           H        SER   5   3.293   4.788   2.687
    6    HG   SER   5           HG       SER   5   5.051   4.656   5.502
    7    H    GLU   6           H        GLU   6   2.337   5.596   4.576
    8    H    ARG   7           H        ARG   7   0.364   6.542   2.815
    9    HE   ARG   7           HE       ARG   7  -0.271  10.014  -1.107
   10    H    LEU   8           H        LEU   8  -0.584   4.477   1.603
   11    H    LYS   9           H        LYS   9  -1.784   3.030   4.065
   12   1HZ   LYS   9          2HZ       LYS   9   0.536   3.125   6.707
   13   2HZ   LYS   9          3HZ       LYS   9   0.847   4.144   7.961
   14   3HZ   LYS   9          1HZ       LYS   9   1.783   2.831   7.722
   15    H    LYS  10           H        LYS  10  -4.197   4.814   4.547
   16   1HZ   LYS  10          2HZ       LYS  10 -10.061   6.574   4.959
   17   2HZ   LYS  10          3HZ       LYS  10 -10.924   7.961   4.804
   18   3HZ   LYS  10          1HZ       LYS  10  -9.742   7.595   3.742
   19    H    ARG  11           H        ARG  11  -5.399   4.572   1.890
   20    HE   ARG  11           HE       ARG  11  -7.917   3.099  -3.749
   21    H    ARG  12           H        ARG  12  -5.978   1.719   1.868
   22    HE   ARG  12           HE       ARG  12  -3.106  -2.085   1.669
   23    H    ILE  13           H        ILE  13  -8.204   1.878   3.801
   24    H    ALA  14           H        ALA  14  -9.977   3.589   2.533
   25    H    LEU  15           H        LEU  15 -10.576   1.732   0.303
   26    H    LYS  16           H        LYS  16 -12.785   0.444   1.513
   27   1HZ   LYS  16          1HZ       LYS  16 -18.401   0.821  -0.240
   28   2HZ   LYS  16          2HZ       LYS  16 -17.606   2.199  -0.610
   29   3HZ   LYS  16          3HZ       LYS  16 -17.107   0.763  -1.242
   30    H    MET  17           H        MET  17 -10.810  -1.641   1.982
   31    H    THR  18           H        THR  18  -9.438  -5.785   2.451
   32    HG1  THR  18          1HG       THR  18  -8.371  -7.096   6.883
   33    H    GLN  19           H        GLN  19  -5.791  -5.600   5.091
   34    H    THR  20           H        THR  20  -5.006  -8.648   4.696
   35    HG1  THR  20          1HG       THR  20  -5.024 -13.021   4.217
   36    H    GLU  21           H        GLU  21  -6.919  -8.752   2.364
   37    H    LEU  22           H        LEU  22  -5.834  -7.253   0.549
   38    H    ALA  23           H        ALA  23  -3.397  -8.503   0.318
   39    H    THR  24           H        THR  24  -4.078 -11.277  -0.709
   40    HG1  THR  24          1HG       THR  24  -5.648 -12.285   0.068
   41    H    LYS  25           H        LYS  25  -5.255 -10.129  -3.249
   42   1HZ   LYS  25          3HZ       LYS  25  -9.984  -6.303  -3.825
   43   2HZ   LYS  25          1HZ       LYS  25 -10.543  -6.571  -5.325
   44   3HZ   LYS  25          2HZ       LYS  25 -11.417  -7.073  -4.047
   45    H    ALA  26           H        ALA  26  -3.093  -8.692  -4.406
   46    H    GLY  27           H        GLY  27  -2.108 -11.292  -5.449
   47    H    VAL  28           H        VAL  28  -0.273 -11.756  -3.385
   48    H    LYS  29           H        LYS  29   2.926 -12.125  -0.442
   49   1HZ   LYS  29          1HZ       LYS  29   1.686 -17.836   2.994
   50   2HZ   LYS  29          2HZ       LYS  29   1.354 -18.327   1.472
   51   3HZ   LYS  29          3HZ       LYS  29   2.593 -19.005   2.307
   52    H    GLN  30           H        GLN  30   0.088 -12.572   3.088
   53    H    GLN  31           H        GLN  31   2.159 -11.595   5.029
   54    H    SER  32           H        SER  32   3.903 -10.429   2.846
   55    HG   SER  32           HG       SER  32   6.271 -10.997   0.834
   56    H    ILE  33           H        ILE  33   2.539  -8.191   1.935
   57    H    GLN  34           H        GLN  34   2.511  -6.990   4.408
   58    H    LEU  35           H        LEU  35   5.280  -5.881   4.735
   59    H    ILE  36           H        ILE  36   4.876  -3.513   3.052
   60    H    GLU  37           H        GLU  37   2.904  -2.072   4.213
   61    H    ALA  38           H        ALA  38   4.229  -1.843   6.812
   62    H    GLY  39           H        GLY  39   5.484   0.574   5.823
   63    H    VAL  40           H        VAL  40   8.016  -0.185   4.989
   64    H    THR  41           H        THR  41   8.842  -1.364   3.340
   65    HG1  THR  41          1HG       THR  41  10.610  -3.753   2.106
   66    H    LYS  42           H        LYS  42  11.193   0.806   1.101
   67   1HZ   LYS  42          1HZ       LYS  42   9.844   5.440   2.611
   68   2HZ   LYS  42          2HZ       LYS  42  11.104   5.458   3.645
   69   3HZ   LYS  42          3HZ       LYS  42  10.860   6.725   2.632
   70    H    ARG  43           H        ARG  43  11.339   0.109  -1.769
   71    HE   ARG  43           HE       ARG  43   9.402  -1.406  -7.044
   72    H    ARG  45           H        ARG  45   9.530  -5.257  -4.694
   73    HE   ARG  45           HE       ARG  45  12.463  -7.323  -8.281
   74    H    PHE  46           H        PHE  46   7.094  -6.579  -5.738
   75    H    LEU  47           H        LEU  47   6.121  -3.833  -7.178
   76    H    PHE  48           H        PHE  48   4.335  -3.112  -9.496
   77    H    GLU  49           H        GLU  49   2.474  -5.289  -9.104
   78    H    ILE  50           H        ILE  50   1.410  -4.719  -6.285
   79    H    ALA  51           H        ALA  51   0.320  -2.102  -7.063
   80    H    MET  52           H        MET  52  -1.743  -2.794  -9.196
   81    H    ALA  53           H        ALA  53  -3.159  -4.572  -7.652
   82    H    LEU  54           H        LEU  54  -4.149  -2.774  -5.717
   83    H    ASN  55           H        ASN  55  -6.294  -2.059  -7.280
   84    H    CYS  56           H        CYS  56  -4.920   0.571  -8.005
   85    H    ASP  57           H        ASP  57  -3.244   4.416  -8.862
   86    H    VAL  59           H        VAL  59   2.444   4.837 -10.670
   87    H    TRP  60           H        TRP  60   0.904   6.560  -8.880
   88    HE1  TRP  60          1HE       TRP  60  -3.405   9.330  -4.413
   89    H    LEU  61           H        LEU  61   0.526   4.551  -6.704
   90    H    GLN  62           H        GLN  62   3.258   5.110  -5.682
   91    H    TYR  63           H        TYR  63   4.232   7.349  -5.481
   92    HH   TYR  63           HH       TYR  63   9.187   5.312  -7.724
   93    H    GLY  64           H        GLY  64   2.372   8.291  -3.998
   94    H    THR  65           H        THR  65   1.527   9.751  -6.308
   95    HG1  THR  65          1HG       THR  65   1.776  13.023  -5.762
   96    H    LYS  66           H        LYS  66  -1.442  11.339  -8.560
   97   1HZ   LYS  66          2HZ       LYS  66  -7.141   8.126 -10.302
   98   2HZ   LYS  66          3HZ       LYS  66  -6.828   9.297 -11.407
   99   3HZ   LYS  66          1HZ       LYS  66  -6.866   7.735 -11.874
  100    H    ARG  67           H        ARG  67   0.691   8.972 -11.169
  101    HE   ARG  67           HE       ARG  67   0.049   5.553 -14.732
  102    H    GLY  68           H        GLY  68   3.011  11.340 -12.167
  103    H    LYS  69           H        LYS  69   0.666  13.622 -14.189
  104   1HZ   LYS  69          2HZ       LYS  69  -1.439  19.844 -17.263
  105   2HZ   LYS  69          3HZ       LYS  69  -2.754  18.906 -17.547
  106   3HZ   LYS  69          1HZ       LYS  69  -2.944  20.405 -16.932
  107    H    ALA  70           H        ALA  70  -1.260  15.698 -11.013
  108    H    ALA  71           H        ALA  71  -3.360  12.460 -12.123
   
  No H/Q in entry =         108
  Start of MODEL   17
    1    H    GLN   2           H        GLN   2   1.502  12.754   1.499
    2    H    THR   3           H        THR   3   2.395   9.205   1.010
    3    HG1  THR   3          1HG       THR   3   7.050   7.728   2.590
    4    H    LEU   4           H        LEU   4   5.356   6.119   0.868
    5    H    SER   5           H        SER   5   3.988   4.726   3.079
    6    HG   SER   5           HG       SER   5   4.604   4.765   6.080
    7    H    GLU   6           H        GLU   6   2.209   5.995   3.934
    8    H    ARG   7           H        ARG   7   0.288   6.899   1.964
    9    HE   ARG   7           HE       ARG   7  -4.487   9.095  -1.752
   10    H    LEU   8           H        LEU   8  -0.422   4.441   1.269
   11    H    LYS   9           H        LYS   9  -1.683   3.057   3.540
   12   1HZ   LYS   9          1HZ       LYS   9  -3.697   1.210   9.187
   13   2HZ   LYS   9          2HZ       LYS   9  -2.422   1.595  10.136
   14   3HZ   LYS   9          3HZ       LYS   9  -3.960   1.691  10.719
   15    H    LYS  10           H        LYS  10  -4.058   4.826   3.824
   16   1HZ   LYS  10          2HZ       LYS  10  -4.572   5.996   7.579
   17   2HZ   LYS  10          3HZ       LYS  10  -4.985   6.587   9.063
   18   3HZ   LYS  10          1HZ       LYS  10  -6.002   5.605   8.254
   19    H    ARG  11           H        ARG  11  -5.437   4.616   1.331
   20    HE   ARG  11           HE       ARG  11  -7.282   3.946  -4.828
   21    H    ARG  12           H        ARG  12  -5.996   1.813   1.315
   22    HE   ARG  12           HE       ARG  12  -3.333  -1.887   2.676
   23    H    ILE  13           H        ILE  13  -8.029   1.956   3.383
   24    H    ALA  14           H        ALA  14 -10.078   3.573   2.254
   25    H    LEU  15           H        LEU  15 -10.826   1.615   0.161
   26    H    LYS  16           H        LYS  16 -12.677   0.344   1.720
   27   1HZ   LYS  16          2HZ       LYS  16 -15.470  -4.749   4.963
   28   2HZ   LYS  16          3HZ       LYS  16 -16.606  -5.139   6.084
   29   3HZ   LYS  16          1HZ       LYS  16 -16.959  -5.212   4.489
   30    H    MET  17           H        MET  17 -10.720  -1.697   2.005
   31    H    THR  18           H        THR  18  -9.290  -5.766   2.694
   32    HG1  THR  18          1HG       THR  18  -9.896  -7.482   5.219
   33    H    GLN  19           H        GLN  19  -5.278  -5.320   4.693
   34    H    THR  20           H        THR  20  -5.322  -8.506   4.576
   35    HG1  THR  20          1HG       THR  20  -7.878 -10.276   5.376
   36    H    GLU  21           H        GLU  21  -7.187  -8.889   2.528
   37    H    LEU  22           H        LEU  22  -6.001  -7.460   0.573
   38    H    ALA  23           H        ALA  23  -3.490  -8.586   0.179
   39    H    THR  24           H        THR  24  -4.668 -11.199  -0.952
   40    HG1  THR  24          1HG       THR  24  -6.406 -13.034   0.108
   41    H    LYS  25           H        LYS  25  -6.029 -10.419  -3.435
   42   1HZ   LYS  25          3HZ       LYS  25 -10.810  -7.822  -7.339
   43   2HZ   LYS  25          1HZ       LYS  25  -9.940  -7.288  -8.626
   44   3HZ   LYS  25          2HZ       LYS  25  -9.701  -8.793  -8.063
   45    H    ALA  26           H        ALA  26  -3.724  -9.098  -4.626
   46    H    GLY  27           H        GLY  27  -2.495 -11.640  -5.477
   47    H    VAL  28           H        VAL  28  -0.466 -11.526  -3.654
   48    H    LYS  29           H        LYS  29   2.828 -11.559  -0.781
   49   1HZ   LYS  29          1HZ       LYS  29   1.715 -16.288  -0.585
   50   2HZ   LYS  29          2HZ       LYS  29   2.015 -15.731  -2.096
   51   3HZ   LYS  29          3HZ       LYS  29   2.336 -17.298  -1.708
   52    H    GLN  30           H        GLN  30   0.239 -12.076   2.902
   53    H    GLN  31           H        GLN  31   2.067 -11.137   4.706
   54    H    SER  32           H        SER  32   3.789  -9.955   2.527
   55    HG   SER  32           HG       SER  32   5.851 -10.588   0.217
   56    H    ILE  33           H        ILE  33   2.538  -7.595   1.738
   57    H    GLN  34           H        GLN  34   2.513  -6.409   4.238
   58    H    LEU  35           H        LEU  35   5.299  -5.477   4.305
   59    H    ILE  36           H        ILE  36   4.782  -3.003   2.839
   60    H    GLU  37           H        GLU  37   3.060  -1.651   3.776
   61    H    ALA  38           H        ALA  38   4.411  -1.323   6.409
   62    H    GLY  39           H        GLY  39   5.607   1.099   5.636
   63    H    VAL  40           H        VAL  40   8.139  -0.053   5.056
   64    H    THR  41           H        THR  41   9.194  -1.422   3.400
   65    HG1  THR  41          1HG       THR  41  10.839  -3.801   2.283
   66    H    LYS  42           H        LYS  42  11.615   0.869   1.589
   67   1HZ   LYS  42          2HZ       LYS  42  14.215   5.967   3.664
   68   2HZ   LYS  42          3HZ       LYS  42  13.099   7.005   3.034
   69   3HZ   LYS  42          1HZ       LYS  42  13.124   6.686   4.635
   70    H    ARG  43           H        ARG  43  12.295   0.462  -1.454
   71    HE   ARG  43           HE       ARG  43  14.012   3.154  -5.227
   72    H    ARG  45           H        ARG  45   9.756  -4.431  -4.587
   73    HE   ARG  45           HE       ARG  45   9.968  -8.441  -9.103
   74    H    PHE  46           H        PHE  46   7.319  -5.757  -5.332
   75    H    LEU  47           H        LEU  47   5.988  -3.387  -6.900
   76    H    PHE  48           H        PHE  48   4.166  -2.918  -9.021
   77    H    GLU  49           H        GLU  49   2.369  -5.362  -8.917
   78    H    ILE  50           H        ILE  50   1.062  -4.779  -6.365
   79    H    ALA  51           H        ALA  51  -0.052  -2.278  -6.716
   80    H    MET  52           H        MET  52  -1.828  -2.706  -8.787
   81    H    ALA  53           H        ALA  53  -3.457  -4.684  -7.879
   82    H    LEU  54           H        LEU  54  -4.632  -3.095  -5.888
   83    H    ASN  55           H        ASN  55  -6.589  -2.220  -7.742
   84    H    CYS  56           H        CYS  56  -5.247   0.180  -8.486
   85    H    ASP  57           H        ASP  57  -3.035   3.664  -7.824
   86    H    VAL  59           H        VAL  59   1.923   4.851  -9.973
   87    H    TRP  60           H        TRP  60   0.697   6.147  -7.810
   88    HE1  TRP  60          1HE       TRP  60  -2.855   6.240  -1.908
   89    H    LEU  61           H        LEU  61   1.124   3.533  -6.035
   90    H    GLN  62           H        GLN  62   3.866   4.284  -5.260
   91    H    TYR  63           H        TYR  63   4.358   6.581  -4.852
   92    HH   TYR  63           HH       TYR  63   9.292   5.415  -7.392
   93    H    GLY  64           H        GLY  64   2.893   6.942  -2.775
   94    H    THR  65           H        THR  65   1.029   8.276  -4.642
   95    HG1  THR  65          1HG       THR  65   3.192  10.067  -6.139
   96    H    LYS  66           H        LYS  66  -2.505   9.945  -5.006
   97   1HZ   LYS  66          1HZ       LYS  66  -8.914   6.443  -6.086
   98   2HZ   LYS  66          2HZ       LYS  66  -9.333   5.965  -7.587
   99   3HZ   LYS  66          3HZ       LYS  66  -8.045   5.293  -6.840
  100    H    ARG  67           H        ARG  67  -2.116  10.118  -8.913
  101    HE   ARG  67           HE       ARG  67  -0.850  15.290 -10.529
  102    H    GLY  68           H        GLY  68  -4.017  13.882 -10.723
  103    H    LYS  69           H        LYS  69  -3.887  11.323 -13.339
  104   1HZ   LYS  69          1HZ       LYS  69   0.869  10.677 -12.293
  105   2HZ   LYS  69          2HZ       LYS  69   1.601   9.569 -11.347
  106   3HZ   LYS  69          3HZ       LYS  69   1.846   9.570 -12.975
  107    H    ALA  70           H        ALA  70  -3.440  14.143 -16.119
  108    H    ALA  71           H        ALA  71  -4.260  14.551 -20.397
   
  No H/Q in entry =         108
  Start of MODEL   18
    1    H    GLN   2           H        GLN   2   1.998  12.844   2.791
    2    H    THR   3           H        THR   3   2.350   9.056   2.244
    3    HG1  THR   3          1HG       THR   3   3.506   8.732   5.081
    4    H    LEU   4           H        LEU   4   5.446   6.073   1.545
    5    H    SER   5           H        SER   5   3.921   4.680   3.665
    6    HG   SER   5           HG       SER   5   4.292   4.773   6.745
    7    H    GLU   6           H        GLU   6   2.069   5.654   4.702
    8    H    ARG   7           H        ARG   7   0.524   6.688   2.796
    9    HE   ARG   7           HE       ARG   7   1.487   6.287  -1.575
   10    H    LEU   8           H        LEU   8  -0.173   4.314   1.439
   11    H    LYS   9           H        LYS   9  -1.497   2.882   3.351
   12   1HZ   LYS   9          1HZ       LYS   9  -2.732   4.609  10.132
   13   2HZ   LYS   9          2HZ       LYS   9  -4.171   5.268   9.730
   14   3HZ   LYS   9          3HZ       LYS   9  -4.076   4.157  10.929
   15    H    LYS  10           H        LYS  10  -3.981   4.780   3.638
   16   1HZ   LYS  10          2HZ       LYS  10  -5.854  10.772   2.483
   17   2HZ   LYS  10          3HZ       LYS  10  -6.095  11.492   3.936
   18   3HZ   LYS  10          1HZ       LYS  10  -4.571  11.162   3.433
   19    H    ARG  11           H        ARG  11  -5.160   4.396   0.959
   20    HE   ARG  11           HE       ARG  11  -7.778   2.904  -4.533
   21    H    ARG  12           H        ARG  12  -5.734   1.572   1.151
   22    HE   ARG  12           HE       ARG  12  -3.598  -2.677   1.893
   23    H    ILE  13           H        ILE  13  -7.874   1.893   3.007
   24    H    ALA  14           H        ALA  14  -9.751   3.253   1.599
   25    H    LEU  15           H        LEU  15 -10.656   1.113  -0.260
   26    H    LYS  16           H        LYS  16 -12.427   0.071   1.648
   27   1HZ   LYS  16          1HZ       LYS  16 -13.362   0.864   5.752
   28   2HZ   LYS  16          2HZ       LYS  16 -14.218   1.497   4.515
   29   3HZ   LYS  16          3HZ       LYS  16 -14.446   2.032   6.049
   30    H    MET  17           H        MET  17 -10.570  -2.123   1.953
   31    H    THR  18           H        THR  18  -9.502  -6.286   3.132
   32    HG1  THR  18          1HG       THR  18  -9.184  -8.851   4.620
   33    H    GLN  19           H        GLN  19  -5.396  -5.790   5.167
   34    H    THR  20           H        THR  20  -4.990  -8.679   4.742
   35    HG1  THR  20          1HG       THR  20  -4.483 -10.915   6.027
   36    H    GLU  21           H        GLU  21  -7.050  -9.012   2.662
   37    H    LEU  22           H        LEU  22  -6.012  -7.505   0.744
   38    H    ALA  23           H        ALA  23  -3.482  -8.553   0.313
   39    H    THR  24           H        THR  24  -4.567 -11.266  -0.806
   40    HG1  THR  24          1HG       THR  24  -4.905 -13.863  -0.590
   41    H    LYS  25           H        LYS  25  -5.831 -10.349  -3.265
   42   1HZ   LYS  25          2HZ       LYS  25 -10.922  -7.707  -3.609
   43   2HZ   LYS  25          3HZ       LYS  25 -10.658  -8.237  -2.076
   44   3HZ   LYS  25          1HZ       LYS  25  -9.939  -6.866  -2.629
   45    H    ALA  26           H        ALA  26  -3.625  -8.950  -4.424
   46    H    GLY  27           H        GLY  27  -2.520 -11.394  -5.499
   47    H    VAL  28           H        VAL  28  -0.447 -11.561  -3.615
   48    H    LYS  29           H        LYS  29   3.025 -11.510  -1.036
   49   1HZ   LYS  29          2HZ       LYS  29   5.089 -16.698   1.622
   50   2HZ   LYS  29          3HZ       LYS  29   4.457 -16.784   0.107
   51   3HZ   LYS  29          1HZ       LYS  29   5.932 -17.408   0.409
   52    H    GLN  30           H        GLN  30   0.640 -12.208   2.788
   53    H    GLN  31           H        GLN  31   2.297 -11.246   4.764
   54    H    SER  32           H        SER  32   4.143  -9.893   2.490
   55    HG   SER  32           HG       SER  32   6.279 -10.092   0.546
   56    H    ILE  33           H        ILE  33   2.537  -7.537   1.913
   57    H    GLN  34           H        GLN  34   2.274  -6.561   4.366
   58    H    LEU  35           H        LEU  35   5.084  -5.829   4.788
   59    H    ILE  36           H        ILE  36   4.936  -3.300   3.084
   60    H    GLU  37           H        GLU  37   3.040  -1.846   4.442
   61    H    ALA  38           H        ALA  38   4.542  -1.837   7.038
   62    H    GLY  39           H        GLY  39   5.672   0.731   6.366
   63    H    VAL  40           H        VAL  40   8.249  -0.478   5.576
   64    H    THR  41           H        THR  41   9.138  -1.776   3.776
   65    HG1  THR  41          1HG       THR  41  10.494  -4.106   2.221
   66    H    LYS  42           H        LYS  42  11.661   0.370   1.661
   67   1HZ   LYS  42          3HZ       LYS  42  13.882   4.847   3.339
   68   2HZ   LYS  42          1HZ       LYS  42  13.080   3.575   3.948
   69   3HZ   LYS  42          2HZ       LYS  42  14.344   4.195   4.777
   70    H    ARG  43           H        ARG  43  11.648   0.211  -1.525
   71    HE   ARG  43           HE       ARG  43  13.038  -1.319  -5.726
   72    H    ARG  45           H        ARG  45   9.496  -4.293  -5.037
   73    HE   ARG  45           HE       ARG  45  10.010  -6.915 -11.128
   74    H    PHE  46           H        PHE  46   7.062  -5.823  -5.471
   75    H    LEU  47           H        LEU  47   5.652  -3.107  -6.488
   76    H    PHE  48           H        PHE  48   4.005  -2.981  -8.826
   77    H    GLU  49           H        GLU  49   2.237  -5.030  -8.548
   78    H    ILE  50           H        ILE  50   0.895  -4.647  -6.095
   79    H    ALA  51           H        ALA  51  -0.310  -2.087  -6.827
   80    H    MET  52           H        MET  52  -2.068  -2.893  -9.199
   81    H    ALA  53           H        ALA  53  -3.648  -4.797  -7.868
   82    H    LEU  54           H        LEU  54  -4.880  -2.937  -6.042
   83    H    ASN  55           H        ASN  55  -6.880  -2.137  -7.683
   84    H    CYS  56           H        CYS  56  -5.276   0.380  -8.094
   85    H    ASP  57           H        ASP  57  -3.191   4.203  -8.084
   86    H    VAL  59           H        VAL  59   2.373   4.156 -10.498
   87    H    TRP  60           H        TRP  60   1.184   5.933  -8.793
   88    HE1  TRP  60          1HE       TRP  60  -2.018  10.265  -4.443
   89    H    LEU  61           H        LEU  61   0.738   4.473  -6.154
   90    H    GLN  62           H        GLN  62   3.416   5.127  -5.268
   91    H    TYR  63           H        TYR  63   4.580   6.924  -5.607
   92    HH   TYR  63           HH       TYR  63   9.943   4.661  -6.801
   93    H    GLY  64           H        GLY  64   2.962   8.399  -4.412
   94    H    THR  65           H        THR  65   2.631   9.811  -6.701
   95    HG1  THR  65          1HG       THR  65   4.372   9.612  -9.187
   96    H    LYS  66           H        LYS  66   0.297  12.947  -8.868
   97   1HZ   LYS  66          2HZ       LYS  66  -0.615   9.623 -15.591
   98   2HZ   LYS  66          3HZ       LYS  66  -1.658   8.386 -15.304
   99   3HZ   LYS  66          1HZ       LYS  66  -1.964   9.465 -16.500
  100    H    ARG  67           H        ARG  67  -1.906   9.945  -9.231
  101    HE   ARG  67           HE       ARG  67  -7.170   5.824  -9.745
  102    H    GLY  68           H        GLY  68  -4.535  12.448  -7.935
  103    H    LYS  69           H        LYS  69  -3.768  12.153  -3.779
  104   1HZ   LYS  69          2HZ       LYS  69  -3.640  14.212   1.046
  105   2HZ   LYS  69          3HZ       LYS  69  -3.008  13.135   2.120
  106   3HZ   LYS  69          1HZ       LYS  69  -2.820  14.744   2.355
  107    H    ALA  70           H        ALA  70  -0.279  13.450  -4.811
  108    H    ALA  71           H        ALA  71  -1.926  16.280  -6.726
   
  No H/Q in entry =         108
  Start of MODEL   19
    1    H    GLN   2           H        GLN   2   1.085  12.753   2.304
    2    H    THR   3           H        THR   3   2.241   9.355   2.260
    3    HG1  THR   3          1HG       THR   3   7.087   8.161   2.862
    4    H    LEU   4           H        LEU   4   5.230   6.647   0.790
    5    H    SER   5           H        SER   5   4.224   4.994   3.398
    6    HG   SER   5           HG       SER   5   3.047   2.810   7.092
    7    H    GLU   6           H        GLU   6   2.315   5.927   4.935
    8    H    ARG   7           H        ARG   7   0.701   6.943   2.774
    9    HE   ARG   7           HE       ARG   7   1.418   6.614  -2.278
   10    H    LEU   8           H        LEU   8   0.096   4.326   1.500
   11    H    LYS   9           H        LYS   9  -1.164   2.824   3.459
   12   1HZ   LYS   9          2HZ       LYS   9   0.668   3.526   9.180
   13   2HZ   LYS   9          3HZ       LYS   9   0.159   4.950   9.838
   14   3HZ   LYS   9          1HZ       LYS   9  -0.663   3.566  10.125
   15    H    LYS  10           H        LYS  10  -3.615   4.544   3.955
   16   1HZ   LYS  10          2HZ       LYS  10  -6.109  10.632   3.046
   17   2HZ   LYS  10          3HZ       LYS  10  -5.913  10.242   1.462
   18   3HZ   LYS  10          1HZ       LYS  10  -7.415  10.398   2.096
   19    H    ARG  11           H        ARG  11  -5.007   4.079   1.635
   20    HE   ARG  11           HE       ARG  11  -7.443   2.452  -3.949
   21    H    ARG  12           H        ARG  12  -5.594   1.408   1.334
   22    HE   ARG  12           HE       ARG  12  -3.432  -2.943   1.964
   23    H    ILE  13           H        ILE  13  -7.555   1.483   3.482
   24    H    ALA  14           H        ALA  14  -9.473   2.989   2.235
   25    H    LEU  15           H        LEU  15 -10.562   1.309   0.211
   26    H    LYS  16           H        LYS  16 -12.442   0.179   2.079
   27   1HZ   LYS  16          3HZ       LYS  16 -14.099   1.342   3.842
   28   2HZ   LYS  16          1HZ       LYS  16 -14.622   2.870   4.076
   29   3HZ   LYS  16          2HZ       LYS  16 -14.862   1.739   5.231
   30    H    MET  17           H        MET  17 -10.694  -2.073   2.065
   31    H    THR  18           H        THR  18  -9.623  -6.353   2.846
   32    HG1  THR  18          1HG       THR  18  -9.662  -8.789   4.220
   33    H    GLN  19           H        GLN  19  -5.575  -6.061   4.985
   34    H    THR  20           H        THR  20  -5.413  -9.082   4.521
   35    HG1  THR  20          1HG       THR  20  -7.611 -11.330   5.273
   36    H    GLU  21           H        GLU  21  -7.351  -9.434   2.576
   37    H    LEU  22           H        LEU  22  -5.997  -7.628   0.703
   38    H    ALA  23           H        ALA  23  -3.479  -8.868   0.272
   39    H    THR  24           H        THR  24  -4.540 -11.507  -0.991
   40    HG1  THR  24          1HG       THR  24  -5.293 -14.448  -1.044
   41    H    LYS  25           H        LYS  25  -5.785 -10.375  -3.356
   42   1HZ   LYS  25          1HZ       LYS  25  -9.530  -7.312  -5.698
   43   2HZ   LYS  25          2HZ       LYS  25 -10.556  -6.924  -4.480
   44   3HZ   LYS  25          3HZ       LYS  25  -9.755  -5.741  -5.296
   45    H    ALA  26           H        ALA  26  -3.724  -8.906  -4.534
   46    H    GLY  27           H        GLY  27  -2.454 -11.383  -5.505
   47    H    VAL  28           H        VAL  28  -0.378 -11.393  -3.892
   48    H    LYS  29           H        LYS  29   2.889 -11.387  -1.096
   49   1HZ   LYS  29          2HZ       LYS  29   2.134 -17.788   1.287
   50   2HZ   LYS  29          3HZ       LYS  29   1.366 -17.622  -0.150
   51   3HZ   LYS  29          1HZ       LYS  29   2.693 -18.553  -0.039
   52    H    GLN  30           H        GLN  30   0.447 -12.292   2.596
   53    H    GLN  31           H        GLN  31   2.026 -11.260   4.680
   54    H    SER  32           H        SER  32   3.929  -9.909   2.584
   55    HG   SER  32           HG       SER  32   6.510  -9.939   0.506
   56    H    ILE  33           H        ILE  33   2.444  -7.558   1.694
   57    H    GLN  34           H        GLN  34   2.157  -6.438   4.193
   58    H    LEU  35           H        LEU  35   4.942  -5.627   4.564
   59    H    ILE  36           H        ILE  36   4.781  -3.059   3.149
   60    H    GLU  37           H        GLU  37   2.823  -1.558   4.139
   61    H    ALA  38           H        ALA  38   4.159  -1.602   6.913
   62    H    GLY  39           H        GLY  39   5.533   0.751   6.281
   63    H    VAL  40           H        VAL  40   8.100   0.033   5.363
   64    H    THR  41           H        THR  41   9.012  -1.467   4.058
   65    HG1  THR  41          1HG       THR  41  10.469  -4.032   2.429
   66    H    LYS  42           H        LYS  42  11.224   1.026   2.075
   67   1HZ   LYS  42          3HZ       LYS  42  15.694   3.895   3.105
   68   2HZ   LYS  42          1HZ       LYS  42  16.828   3.282   2.096
   69   3HZ   LYS  42          2HZ       LYS  42  15.974   4.604   1.655
   70    H    ARG  43           H        ARG  43  11.133   0.032  -0.679
   71    HE   ARG  43           HE       ARG  43  10.005   0.690  -5.893
   72    H    ARG  45           H        ARG  45   9.442  -4.106  -4.674
   73    HE   ARG  45           HE       ARG  45  11.665  -4.140  -3.664
   74    H    PHE  46           H        PHE  46   7.175  -5.733  -5.444
   75    H    LEU  47           H        LEU  47   5.701  -3.097  -6.519
   76    H    PHE  48           H        PHE  48   3.999  -2.931  -8.937
   77    H    GLU  49           H        GLU  49   2.200  -5.355  -9.054
   78    H    ILE  50           H        ILE  50   0.958  -4.759  -6.221
   79    H    ALA  51           H        ALA  51  -0.121  -2.093  -6.688
   80    H    MET  52           H        MET  52  -1.833  -2.508  -8.922
   81    H    ALA  53           H        ALA  53  -3.554  -4.506  -8.108
   82    H    LEU  54           H        LEU  54  -4.714  -2.814  -5.931
   83    H    ASN  55           H        ASN  55  -6.776  -1.800  -7.596
   84    H    CYS  56           H        CYS  56  -5.145   0.474  -7.802
   85    H    ASP  57           H        ASP  57  -3.002   4.274  -8.444
   86    H    VAL  59           H        VAL  59   2.298   3.876 -10.852
   87    H    TRP  60           H        TRP  60   1.207   5.479  -8.886
   88    HE1  TRP  60          1HE       TRP  60  -2.641   8.496  -3.949
   89    H    LEU  61           H        LEU  61   1.488   3.805  -6.503
   90    H    GLN  62           H        GLN  62   4.180   4.523  -5.670
   91    H    TYR  63           H        TYR  63   4.218   6.769  -5.755
   92    HH   TYR  63           HH       TYR  63  11.024   7.988  -8.453
   93    H    GLY  64           H        GLY  64   2.439   8.177  -4.568
   94    H    THR  65           H        THR  65   1.931   9.488  -7.329
   95    HG1  THR  65          1HG       THR  65   1.726   8.436  -9.962
   96    H    LYS  66           H        LYS  66  -2.042  10.612  -8.457
   97   1HZ   LYS  66          2HZ       LYS  66  -7.508  10.302 -12.153
   98   2HZ   LYS  66          3HZ       LYS  66  -8.127   9.459 -13.425
   99   3HZ   LYS  66          1HZ       LYS  66  -8.247   8.862 -11.906
  100    H    ARG  67           H        ARG  67  -5.013   9.391  -7.849
  101    HE   ARG  67           HE       ARG  67  -3.061  10.358  -5.673
  102    H    GLY  68           H        GLY  68  -8.001   7.543  -7.377
  103    H    LYS  69           H        LYS  69  -7.591   3.894  -9.741
  104   1HZ   LYS  69          1HZ       LYS  69  -4.536   3.958 -14.928
  105   2HZ   LYS  69          2HZ       LYS  69  -3.204   3.521 -15.769
  106   3HZ   LYS  69          3HZ       LYS  69  -4.432   2.446 -15.509
  107    H    ALA  70           H        ALA  70  -9.486   2.806 -11.496
  108    H    ALA  71           H        ALA  71 -11.739   5.559 -12.779
   
  No H/Q in entry =         108
  Start of MODEL   20
    1    H    GLN   2           H        GLN   2   2.681  12.585   3.455
    2    H    THR   3           H        THR   3   3.028   9.390   1.865
    3    HG1  THR   3          1HG       THR   3   7.349   7.139   3.660
    4    H    LEU   4           H        LEU   4   5.667   6.179   1.252
    5    H    SER   5           H        SER   5   4.321   4.818   3.283
    6    HG   SER   5           HG       SER   5   5.001   4.920   6.244
    7    H    GLU   6           H        GLU   6   2.420   5.951   4.267
    8    H    ARG   7           H        ARG   7   0.696   6.962   2.374
    9    HE   ARG   7           HE       ARG   7   2.841   6.924  -1.712
   10    H    LEU   8           H        LEU   8   0.092   4.536   0.997
   11    H    LYS   9           H        LYS   9  -1.018   2.846   3.030
   12   1HZ   LYS   9          1HZ       LYS   9  -1.383   2.577  10.046
   13   2HZ   LYS   9          2HZ       LYS   9  -1.608   1.128  10.763
   14   3HZ   LYS   9          3HZ       LYS   9  -0.389   1.337   9.681
   15    H    LYS  10           H        LYS  10  -3.431   4.518   3.727
   16   1HZ   LYS  10          1HZ       LYS  10  -9.060   6.938   4.072
   17   2HZ   LYS  10          2HZ       LYS  10  -9.395   6.081   5.418
   18   3HZ   LYS  10          3HZ       LYS  10 -10.095   7.551   5.168
   19    H    ARG  11           H        ARG  11  -4.921   4.157   1.237
   20    HE   ARG  11           HE       ARG  11  -6.058   5.869  -2.613
   21    H    ARG  12           H        ARG  12  -5.547   1.369   0.792
   22    HE   ARG  12           HE       ARG  12  -3.965  -1.835   4.424
   23    H    ILE  13           H        ILE  13  -7.394   1.765   3.110
   24    H    ALA  14           H        ALA  14  -9.456   3.616   2.637
   25    H    LEU  15           H        LEU  15 -10.448   1.686   0.544
   26    H    LYS  16           H        LYS  16 -12.251   0.333   2.115
   27   1HZ   LYS  16          2HZ       LYS  16 -14.434   3.425   3.257
   28   2HZ   LYS  16          3HZ       LYS  16 -15.827   3.310   2.410
   29   3HZ   LYS  16          1HZ       LYS  16 -15.824   3.981   3.902
   30    H    MET  17           H        MET  17 -10.566  -2.105   2.137
   31    H    THR  18           H        THR  18  -9.688  -6.397   2.550
   32    HG1  THR  18          1HG       THR  18  -9.621  -9.082   4.310
   33    H    GLN  19           H        GLN  19  -5.709  -5.898   4.692
   34    H    THR  20           H        THR  20  -5.533  -8.921   4.343
   35    HG1  THR  20          1HG       THR  20  -7.577 -10.675   5.517
   36    H    GLU  21           H        GLU  21  -7.286  -9.271   2.307
   37    H    LEU  22           H        LEU  22  -6.104  -7.948   0.423
   38    H    ALA  23           H        ALA  23  -3.565  -9.032   0.178
   39    H    THR  24           H        THR  24  -4.663 -11.629  -0.983
   40    HG1  THR  24          1HG       THR  24  -6.184 -13.182   0.004
   41    H    LYS  25           H        LYS  25  -5.970 -10.670  -3.357
   42   1HZ   LYS  25          1HZ       LYS  25 -10.578  -9.512  -7.926
   43   2HZ   LYS  25          2HZ       LYS  25 -10.690 -10.996  -7.265
   44   3HZ   LYS  25          3HZ       LYS  25 -11.897  -9.905  -7.064
   45    H    ALA  26           H        ALA  26  -3.625  -9.394  -4.598
   46    H    GLY  27           H        GLY  27  -2.460 -11.637  -5.380
   47    H    VAL  28           H        VAL  28  -0.339 -11.723  -3.646
   48    H    LYS  29           H        LYS  29   3.227 -11.774  -1.062
   49   1HZ   LYS  29          1HZ       LYS  29   6.879 -15.608  -0.028
   50   2HZ   LYS  29          2HZ       LYS  29   6.142 -14.423  -0.869
   51   3HZ   LYS  29          3HZ       LYS  29   7.651 -14.193  -0.254
   52    H    GLN  30           H        GLN  30   0.352 -12.407   2.457
   53    H    GLN  31           H        GLN  31   2.171 -11.413   4.601
   54    H    SER  32           H        SER  32   4.123 -10.241   2.512
   55    HG   SER  32           HG       SER  32   6.261 -10.494   0.424
   56    H    ILE  33           H        ILE  33   2.505  -7.780   1.866
   57    H    GLN  34           H        GLN  34   2.393  -6.700   4.278
   58    H    LEU  35           H        LEU  35   5.130  -5.770   4.542
   59    H    ILE  36           H        ILE  36   4.938  -3.224   3.029
   60    H    GLU  37           H        GLU  37   3.086  -1.985   4.279
   61    H    ALA  38           H        ALA  38   4.123  -1.766   6.956
   62    H    GLY  39           H        GLY  39   5.344   0.700   6.413
   63    H    VAL  40           H        VAL  40   7.864  -0.017   5.585
   64    H    THR  41           H        THR  41   8.939  -1.458   3.992
   65    HG1  THR  41          1HG       THR  41  10.436  -3.375   2.620
   66    H    LYS  42           H        LYS  42  10.825   1.205   1.856
   67   1HZ   LYS  42          1HZ       LYS  42   9.194   6.038   4.882
   68   2HZ   LYS  42          2HZ       LYS  42   8.576   5.078   6.045
   69   3HZ   LYS  42          3HZ       LYS  42   9.910   4.613   5.223
   70    H    ARG  43           H        ARG  43  10.477   0.609  -0.876
   71    HE   ARG  43           HE       ARG  43  10.856   3.402  -6.565
   72    H    ARG  45           H        ARG  45   9.599  -4.390  -4.565
   73    HE   ARG  45           HE       ARG  45  12.409  -5.404  -4.547
   74    H    PHE  46           H        PHE  46   7.155  -5.769  -5.303
   75    H    LEU  47           H        LEU  47   5.696  -3.326  -6.545
   76    H    PHE  48           H        PHE  48   4.039  -3.146  -8.790
   77    H    GLU  49           H        GLU  49   2.220  -5.373  -8.809
   78    H    ILE  50           H        ILE  50   0.968  -5.023  -6.320
   79    H    ALA  51           H        ALA  51  -0.141  -2.426  -6.653
   80    H    MET  52           H        MET  52  -1.970  -2.705  -8.878
   81    H    ALA  53           H        ALA  53  -3.642  -4.774  -7.905
   82    H    LEU  54           H        LEU  54  -4.770  -3.087  -6.032
   83    H    ASN  55           H        ASN  55  -6.853  -2.018  -7.304
   84    H    CYS  56           H        CYS  56  -5.247   0.370  -7.594
   85    H    ASP  57           H        ASP  57  -2.942   4.039  -7.663
   86    H    VAL  59           H        VAL  59   2.132   4.293 -10.524
   87    H    TRP  60           H        TRP  60   0.988   6.237  -8.919
   88    HE1  TRP  60          1HE       TRP  60  -2.440  10.067  -4.421
   89    H    LEU  61           H        LEU  61   0.953   4.684  -6.136
   90    H    GLN  62           H        GLN  62   3.639   5.229  -5.621
   91    H    TYR  63           H        TYR  63   4.535   7.218  -6.022
   92    HH   TYR  63           HH       TYR  63  10.276   5.580  -9.951
   93    H    GLY  64           H        GLY  64   3.179   8.798  -4.811
   94    H    THR  65           H        THR  65   2.746  10.351  -7.366
   95    HG1  THR  65          1HG       THR  65   1.821  12.991 -11.185
   96    H    LYS  66           H        LYS  66  -1.260  11.160  -9.075
   97   1HZ   LYS  66          1HZ       LYS  66  -4.823   6.239  -7.026
   98   2HZ   LYS  66          2HZ       LYS  66  -6.402   6.093  -7.319
   99   3HZ   LYS  66          3HZ       LYS  66  -5.361   5.078  -8.058
  100    H    ARG  67           H        ARG  67   0.245  10.068 -11.563
  101    HE   ARG  67           HE       ARG  67  -0.914  13.507 -14.061
  102    H    GLY  68           H        GLY  68  -0.892   7.746 -15.268
  103    H    LYS  69           H        LYS  69   2.047   7.719 -16.143
  104   1HZ   LYS  69          2HZ       LYS  69   4.757  10.195 -20.298
  105   2HZ   LYS  69          3HZ       LYS  69   4.563   9.621 -21.824
  106   3HZ   LYS  69          1HZ       LYS  69   3.494  10.683 -21.198
  107    H    ALA  70           H        ALA  70   5.742   5.329 -15.419
  108    H    ALA  71           H        ALA  71   6.164   8.622 -13.163
   
  No H/Q in entry =         108