*HEADER    ANTIMICROBIAL PROTEIN                   30-SEP-05   2B68              
*TITLE     SOLUTION STRUCTURE OF THE RECOMBINANT CRASSOSTREA GIGAS               
*TITLE    2 DEFENSIN                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-43;                                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CRASSOSTREA GIGAS;                              
*SOURCE   3 ORGANISM_COMMON: PACIFIC OYSTER;                                     
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3)PLYSS;                         
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-28A                                   
*KEYWDS    ANTIBACTERIAL PEPTIDE, DEFENSIN, CYSTEINE-RICH PEPTIDE                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Y.GUEGUEN, H.AMAURY, A.AUMELAS, J.GARNIER, J.FIEVET,                  
*AUTHOR   2 J.M.ESCOUBAS, P.BULET, M.GONZALES, C.LELONG, P.FAVREL,               
*AUTHOR   3 E.BACHERE                                                            
*REVDAT   1   29-NOV-05 2B68    0                                                

#Crassostrea Gigas defensin upper distance constraints

# Amide-amide distance constraints
  2 PHE  HN      3 GLY  HN      2.8
  3 GLY  HN      4 CYSS HN      2.5
  6 GLY  HN      7 ASN  HN      2.5
  8 GLN  HN      9 LEU  HN      2.5
  8 GLN  HN     10 LYS  HN      5.0
  9 LEU  HN     10 LYS  HN      2.5
 10 LYS  HN     11 CYSS HN      2.8
 11 CYSS HN     12 ASN  HN      2.8
 12 ASN  HN     13 ASN  HN      2.8
 13 ASN  HN     14 HIS  HN      2.8
 15 CYSS HN     16 LYS  HN      2.8
 15 CYSS HN     17 SER  HN      5.0
 16 LYS  HN     17 SER  HN      2.8
 17 SER  HN     18 ILE  HN      2.5
 19 SER  HN     20 CYSS HN      3.0
 21 ARG  HN     22 ALA  HN      3.0
 22 ALA  HN     23 GLY  HN      5.0
 24 TYR  HN     25 CYSS HN      5.0
 24 TYR  HN     35 THR  HN      3.0  
 25 CYSS HN     26 ASP  HN      5.0
 27 ALA  HN     28 ALA  HN      3.0 
 28 ALA  HN     29 THR  HN      2.5
 29 THR  HN     30 LEU  HN      2.5
 30 LEU  HN     31 TRP  HN      2.8
 32 LEU  HN     33 ARG  HN      2.5
 33 ARG  HN     34 CYSS HN      5.0
 34 CYSS HN     35 THR  HN      3.5 
 35 THR  HN     26 ASP  HN      5.0 
 36 CYSS HN     37 THR  HN      4.5 
 37 THR  HN     22 ALA  HN      3.5  
 37 THR  HN     21 ARG  HN      5.0  

# other distance constraints

  2 PHE  HN      2 PHE  HA      2.8
  2 PHE  HN      1 GLY  QA      3.0
  2 PHE  HN      2 PHE  QB      4.0
  2 PHE  CG      2 PHE  HA      4.0
  2 PHE  CG     14 HIS  QB      6.0
  2 PHE  CG     34 CYSS QB      6.0
  3 GLY  HN      3 GLY  QA      3.5
  3 GLY  HN      2 PHE  HA      3.5 
  3 GLY  HN      1 GLY  QA      5.0
  3 GLY  HN     10 LYS  QB      6.0
  3 GLY  HN     10 LYS  QD      5.0
  3 GLY HA1     10 LYS  QB      4.0
  3 GLY HA2     10 LYS  QB      4.0
  3 GLY  QA     10 LYS  QD      6.0
  4 CYSS HN      5 PRO  HA      5.0
  4 CYSS HN      4 CYSS HA      3.0
  4 CYSS HN      2 PHE  HA      5.0
  4 CYSS HN      4 CYSS QB      4.0
  4 CYSS HN      3 GLY  QA      5.0
  4 CYSS HN     34 CYSS QB      5.0
  4 CYSS HN     11 CYSS QB      6.0
  5 PRO  HA      4 CYSS HA      3.0
  5 PRO  HA      4 CYSS QB      6.0
  5 PRO  HA     32 LEU  HA      5.0
  5 PRO  HA     31 TRP  QB      4.0
  5 PRO  QB     32 LEU QQD      6.0
  5 PRO  QG     32 LEU QQD      7.0
  5 PRO HD2     32 LEU QQD      5.0
  5 PRO HD3     32 LEU QQD      5.0
  6 GLY  HN      5 PRO  HA      3.0
  6 GLY  HN      6 GLY HA1      3.0 
  6 GLY  HN      6 GLY HA2      3.0
  6 GLY  HN      5 PRO  QD      6.0
  6 GLY  HN      5 PRO  QB      4.0
  6 GLY  HN      5 PRO  QG      5.0
  7 ASN  HN      7 ASN  HA      3.0
  7 ASN  HN      6  GLY QA      4.0
  7 ASN  HN      7 ASN  QB      4.0
  7 ASN  HA      7 ASN  QB      4.0
  7 ASN  HA      8 GLN  QB      6.0
  7 ASN  QB     10 LYS  QB      5.0
  7 ASN HD21     7 ASN  QB      4.0
  7 ASN HD21    10 LYS  QB      5.0
  7 ASN HD21    10 LYS  QD      6.0
  7 ASN HD22     7 ASN  QB      5.0
  7 ASN HD22    10 LYS  QB      4.0
  7 ASN HD22    10 LYS  QD      5.0
  8 GLN  HN      7 ASN  HA      2.5
  8 GLN  HN      8 GLN  QG      6.0
  8 GLN  HN      8 GLN  QB      4.0
  8 GLN  HA     11 CYSS QB      4.0
  8 GLN  HA      8 GLN  QB      4.0
  8 GLN  HA      8 GLN  QG      4.0
  8 GLN HE21     8 GLN  QB      4.0
  8 GLN HE21     8 GLN  QG      6.0
  9 LEU  HN      7 ASN  HA      3.5
  9 LEU  HN      9 LEU  HA      3.0
  9 LEU  HN      8 GLN  HA      3.5
  9 LEU  HN      8 GLN  QG      6.0
  9 LEU  HN      8 GLN  QB      4.0
  9 LEU  HN      9 LEU  QB      4.0
  9 LEU  HN      9 LEU  HG      3.0
  9 LEU  HN      9 LEU QQD      7.0
  9 LEU  HA     12 ASN  QB      4.0
  9 LEU  HA      9 LEU  QB      4.0
  9 LEU  HA      9 LEU QQD      5.0
 10 LYS  HN     11 CYSS HA      5.0
 10 LYS  HN      3 GLY  QA      6.0
 10 LYS  HN      9 LEU  HA      3.5
 10 LYS  HN     10 LYS  HA      3.0
 10 LYS  HN      7 ASN  QB      6.0
 10 LYS  HN     10 LYS  QB      4.0
 10 LYS  HN      9 LEU QQD      7.0
 10 LYS  HA     13 ASN  QB      4.0
 11 CYSS HN     11 CYSS HA      3.0
 11 CYSS HN      3 GLY  QA      6.0 
 11 CYSS HN      9 LEU  HA      5.0
 11 CYSS HN     10 LYS  HA      3.5
 11 CYSS HN      8 GLN  HA      4.0
 11 CYSS HN     11 CYSS QB      4.0
 11 CYSS HN     10 LYS  QB      4.0
 11 CYSS HA     11 CYSS QB      3.6
 11 CYSS HA     14 HIS  QB      4.0
 11 CYSS HA      2 PHE  QB      4.0
 12 ASN  HN     23 GLY  QA      6.0
 12 ASN  HN     11 CYSS HA      3.5
 12 ASN  HN     22 ALA  HA      5.0
 12 ASN  HN      9 LEU  HA      3.0
 12 ASN  HN     12 ASN  HA      3.0
 12 ASN  HN     11 CYSS QB      4.0
 12 ASN  HN     11 CYSS QB      4.0
 12 ASN  HN     12 ASN  QB      4.0
 12 ASN  HN      9 LEU  QB      6.0
 12 ASN  HD22   22 ALA  QB      6.0
 13 ASN  HN     13 ASN  HA      3.0
 13 ASN  HN      9  LEU HA      4.0
 13 ASN  HN     12 ASN  QB      4.0
 13 ASN  HN     13 ASN  QB      4.0
 13 ASN  HN      9 LEU  QB      6.0
 13 ASN  HA     13 ASN  QB      4.0
 13 ASN  HA     16 LYS  QB      4.0
 13 ASN  HA     16 LYS  QD      5.0
 13 ASN HD21    13 ASN  QB      4.0
 13 ASN HD21     9 LEU  HG      5.0
 13 ASN HD21     9 LEU QQD      7.0
 13 ASN HD22    13 ASN  QB      5.0
 13 ASN HD22     9 LEU  HG      3.0
 13 ASN HD22     9 LEU QQD      6.0
 14 HIS  HN     11 CYSS HA      3.5
 14 HIS  HN     14 HIS  HA      3.0
 14 HIS  HN     10 LYS  HA      4.0
 14 HIS  HN     13 ASN  HA      3.5
 14 HIS  HN     14 HIS  QB      4.0
 14 HIS  HN     13 ASN  QB      4.0
 14 HIS  HE1     2 PHE  CZ      5.0
 14 HIS  HE1    18 ILE QG2      5.0
 14 HIS  HD2    15 CYSS HN      4.0
 14 HIS  HD2    11 CYSS HA      5.0
 14 HIS  HD2    14 HIS  QB      4.0
 14 HIS  HD2    15 CYSS HA      5.0
 14 HIS  HD2     2 PHE  QB      5.0
 14 HIS  HD2    18 ILE QG1      6.0 
 14 HIS  HD2    18 ILE QD1      6.0 
 14 HIS  HA     17 SER  QB      4.0
 14 HIS  HA     14 HIS  QB      4.0
 14 HIS  HA     18 ILE QG2      6.0
 15 CYSS HN     11 CYSS HA      4.0
 15 CYSS HN     14 HIS  HA      3.5
 15 CYSS HN     14 HIS  QB      4.0
 15 CYSS HN     15 CYSS QB      4.0
 15 CYSS HN     12 ASN  HA      4.0
 15 CYSS HA     15 CYSS QB      4.0
 15 CYSS HA     18 ILE QG1      4.0
 15 CYSS HA     18 ILE QG2      4.0
 15 CYSS HA     18 ILE QD1      4.0
 16 LYS  HN     16 LYS  HA      3.0
 16 LYS  HN     13 ASN  HA      3.5
 16 LYS  HN     15 CYSS HA      3.5
 16 LYS  HN     15 CYSS QB      4.0
 16 LYS  HN     16 LYS  QB      4.0
 16 LYS  HN     16 LYS  QD      4.0
 17 SER  HN     16 LYS  HA      3.5
 17 SER  HN     17 SER  QB      4.0
 17 SER  HN     16 LYS  QG      4.0
 18 ILE  HN     18 ILE  HA      3.5
 18 ILE  HN     17 SER  HA      3.5 
 18 ILE  HN     17 SER  QB      4.0
 18 ILE  HN     18 ILE  HB      4.0
 18 ILE  HN     18 ILE QG1      4.0 
 18 ILE  HN     18 ILE QD1      4.0
 18 ILE  HN     18 ILE QG2      4.0 
 18 ILE  HA     19 SER  HA      5.0
 18 ILE  HA     18 ILE  HB      3.0
 18 ILE  HA     18 ILE QG2      4.0
 19 SER  HN     18 ILE  HA      3.5 
 19 SER  HN     19 SER  HA      2.5
 19 SER  HN     16 LYS  HA      5.0
 19 SER  HN     18 ILE QG2      6.0
 19 SER  HN     18 ILE QG1      5.0
 19 SER  HN     18 ILE QD1      6.0
 20 CYSS HN     20 CYSS HA      3.0
 20 CYSS HN     16 LYS  HA      4.0
 20 CYSS HN     39 CYSS HA      5.0 
 20 CYSS HN     19 SER  HA      3.0
 20 CYSS HN     20 CYSS QB      4.0
 20 CYSS HA     39 CYSS HA      3.0
 20 CYSS HA     20 CYSS QB      3.6
 20 CYSS HB2    15 CYSS QB      4.0
 20 CYSS HB3    15 CYSS QB      4.0
 21 ARG  HN     20 CYSS QB      4.0
 21 ARG  HN     38 ASP  QB      5.0
 22 ALA  HN     23 GLY  QA      6.0
 22 ALA  HN     22 ALA  HA      3.0
 22 ALA  HN     21 ARG  HA      3.5
 22 ALA  HN     20 CYSS QB      4.0
 22 ALA  HN     15 CYSS QB      6.0
 22 ALA  HN     21 ARG  QB      4.0
 22 ALA  HN     22 ALA  QB      4.0
 23 GLY  HN     36 CYSS HA      4.0
 23 GLY  HN     22 ALA  HA      2.5
 23 GLY  HN     12 ASN  QB      4.0
 23 GLY  HN     15 CYSS QB      4.0
 23 GLY  HN     22 ALA  QB      4.0
 23 GLY  QA     36 CYSS QB      5.0
 23 GLY  QA     15 CYSS QB      5.0
 23 GLY  QA     22 ALA  QB      6.0
 23 GLY  QA     37 THR QG2      5.0
 24 TYR  HN     23 GLY  QA      3.0
 24 TYR  CG     23 GLY  QA      6.0
 24 TYR  CG     26 ASP  HA      5.0
 24 TYR  CG     37 THR CG2      5.0
 24 TYR  CG     35 THR CG2      6.0
 24 TYR  CZ     26 ASP  HA      5.0
 24 TYR  CZ     37 THR  HB      6.0
 24 TYR  CZ     35 THR  HB      6.0
 24 TYR  CZ     37 THR CG2      4.0
 24 TYR  CZ     35 THR CG2      5.0
 24 TYR  CG     27 ALA  HN      5.0
 24 TYR  CG     25 CYSS HN      5.0
 24 TYR  CG     24 TYR  HN      4.0
 24 TYR  CZ     27 ALA  HN      5.0
 24 TYR  CZ     24 TYR  HN      6.0
 25 CYSS HN     25 CYSS HA      3.0
 25 CYSS HN     24 TYR  HA      3.5
 25 CYSS HN     24 TYR  QB      4.0
 25 CYSS HN      8 GLN  QB      5.0
 25 CYSS HN      8 GLN HG2      4.0
 25 CYSS HN      8 GLN HG3      4.0
 25 CYSS HA     34 CYSS HA      3.0
 25 CYSS HA      4 CYSS QB      6.0
 25 CYSS HA     25 CYSS QB      4.0
 25 CYSS HA     34 CYSS QB      6.0
 26 ASP  HN     25 CYSS HA      2.5
 26 ASP  HN     26 ASP  HA      3.0
 26 ASP  HN     25 CYSS QB      5.0
 26 ASP  HN     26 ASP  QB      4.0
 26 ASP  HN     35 THR QG2      6.0
 26 ASP  HA     26 ASP  QB      4.0
 26 ASP HB2     29 THR QG2      4.0
 26 ASP HB3     29 THR QG2      4.0
 26 ASP HB2     33 ARG  QB      4.0
 26 ASP HB3     33 ARG  QB      4.0
 27 ALA  HN     26 ASP  HA      2.5
 27 ALA  HN     27 ALA  HA      3.0
 27 ALA  HN     27 ALA  QB      3.5
 28 ALA  HN     28 ALA  HA      3.0
 28 ALA  HN     27 ALA  HA      3.5
 28 ALA  HN     28 ALA  QB      3.5
 28 ALA  HN     27 ALA  QB      4.0
 29 THR  HN     29 THR  HA      3.0
 29 THR  HN     28 ALA  HA      3.5
 29 THR  HN     30 LEU  HA      4.5
 29 THR  HN     26 ASP  QB      6.0
 29 THR  HN     28 ALA  QB      4.0 
 29 THR  HN     29 THR QG2      4.0
 29 THR  HB     29 THR QG2      5.0
 30 LEU  HN     29 THR  HA      3.0
 30 LEU  HN     30 LEU  HA      3.0
 30 LEU  HN     30 LEU HB2      4.0
 30 LEU  HN     30 LEU HB3      4.0
 30 LEU  HN     30 LEU  HG      4.0
 30 LEU  HN     29 THR QG2      6.0
 30 LEU  HN     30 LEU QD2      4.0
 30 LEU  HA     30 LEU  HG      4.0
 30 LEU  HA     30 LEU  QB      4.0
 30 LEU  HA     30 LEU QQD      5.0
 31 TRP  HN     31 TRP  QB      4.0
 31 TRP  HN     30 LEU  HA      3.0
 31 TRP  HN     30 LEU  QB      5.0
 31 TRP  HN     30 LEU QQD      6.0
 31 TRP  QB      5 PRO  QB      5.0
 31 TRP  HA     29 THR QG2      4.0
 31 TRP HE1     25 CYSS QB      6.0
 31 TRP HE1     27 ALA  HA      4.0
 31 TRP HE1     27 ALA  QB      4.0
 31 TRP HZ2     27 ALA  HA      5.0
 31 TRP HZ2     27 ALA  QB      4.0
 31 TRP HE3     30 LEU  HN      5.0
 31 TRP HE3     30 LEU  HA      4.0
 31 TRP HE3     25 CYSS QB      6.0
 31 TRP HE3     30 LEU  QB      6.0
 31 TRP HE3     30 LEU QQD      7.0
 31 TRP HH2     27 ALA  HA      4.0 
 31 TRP HH2     27 ALA  QB      5.0
 31 TRP HZ3     30 LEU QQD      6.0
 31 TRP HD1     27 ALA  HN      5.0
 31 TRP HD1     25 CYSS HN      5.0
 31 TRP HD1     31 TRP  QB      4.0
 31 TRP HD1     31 TRP  HA      4.0
 31 TRP HD1     25 CYSS QB      4.0
 31 TRP HD1     27 ALA  HA      5.0
 31 TRP HD1     27 ALA  QB      5.0
 32 LEU  HN     29 THR  HB      5.0
 32 LEU  HN     32 LEU  HA      3.0
 32 LEU  HN     31 TRP  HA      4.0
 32 LEU  HN     32 LEU  QB      4.0
 32 LEU  HN     32 LEU  HG      4.0
 32 LEU  HN     32 LEU QQD      6.0
 32 LEU  HA      5 PRO  QG      6.0
 32 LEU  HA      5 PRO  QD      4.0
 32 LEU  HA      5 PRO  QD      5.0
 32 LEU  HA     32 LEU  QB      4.0
 32 LEU  HA     32 LEU  HG      4.0
 32 LEU  HA     32 LEU QQD      5.0
 32 LEU HB2     29 THR QG2      4.0
 32 LEU HB3     29 THR QG2      4.0
 32 LEU  HG     29 THR QG2      4.0
 33 ARG  HN     29 THR  HB      4.5  
 33 ARG  HN     33 ARG  HA      3.5 
 33 ARG  HN     32 LEU  HA      3.5 
 33 ARG  HN     26 ASP  QB      6.0
 33 ARG  HN     33 ARG  QD      6.0
 33 ARG  HN     33 ARG  QB      4.0
 33 ARG  HN     33 ARG  QG      5.0
 33 ARG  HN     32 LEU  QB      4.0
 34 CYSS HN     34 CYSS HA      3.0
 34 CYSS HN     33 ARG  HA      2.5
 34 CYSS HN     33 ARG  QG      4.0
 34 CYSS HN     33 ARG  QD      6.0
 34 CYSS HA     34 CYSS QB      4.0
 34 CYSS HA     35 THR  HA      5.0
 34 CYSS HA     35 THR QG2      6.0
 35 THR  HN     25 CYSS HA      4.0
 35 THR  HN     34 CYSS HA      2.5
 35 THR  HN     35 THR  HA      3.0
 35 THR  HN     35 THR  HB      2.5
 35 THR  HN     34 CYSS QB      6.0
 35 THR  HN     35 THR QG2      4.0
 35 THR  HA     35 THR QG2      3.6
 36 CYSS HN     36 CYSS HA      3.0 
 36 CYSS HN     35 THR  HA      2.5
 36 CYSS HN     36 CYSS QB      4.0
 36 CYSS HN     35 THR QG2      5.0
 36 CYSS HA     23 GLY HA1      3.0
 36 CYSS HA     37 THR  HA      5.0
 36 CYSS HA     23 GLY HA2      3.0
 36 CYSS HA     15 CYSS QB      4.0
 36 CYSS HA     37 THR QG2      5.0
 36 CYSS HA     35 THR QG2      6.0
 37 THR  HN     36 CYSS HA      2.5
 37 THR  HN     23 GLY  QA      4.0
 37 THR  HN     37 THR  HA      3.0 
 37 THR  HN     37 THR  HB      3.5 
 37 THR  HN     36 CYSS QB      4.0
 37 THR  HN     15 CYSS QB      6.0
 37 THR  HN     22 ALA  QB      6.0
 37 THR  HN     37 THR QG2      4.0
 37 THR  HA     37 THR QG2      4.0
 37 THR  HB     37 THR QG2      3.6
 38 ASP  HN     37 THR  HA      2.5
 38 ASP  HN     37 THR  HB      3.5
 38 ASP  HN     38 ASP  QB      4.0
 38 ASP  HN     37 THR QG2      5.0
 38 ASP  HA     38 ASP  QB      4.0
 38 ASP  HA     21 ARG  QG      5.0
 38 ASP HB2     21 ARG  QB      4.0 
 38 ASP HB3     21 ARG  QB      4.0
 39 CYSS HN     38 ASP  HA      2.5
 39 CYSS HN     38 ASP  QB      4.0
 40 ASN  HN     39 CYSS HA      3.0
 40 ASN  HN     20 CYSS HA      3.0
 40 ASN  HN     39 CYSS QB      4.0
 41 GLY  HN     40 ASN  HA      2.5
 41 GLY  HN     39 CYSS QB      4.0
 42 LYS  HN     41 GLY  QA      4.0
 43 LYS  HN     42 LYS  HA      2.5
 
# hydrogen bonds
  9 LEU   O     13 ASN  HN      2.0
          O     13 ASN   N      3.0
 10 LYS   O     14 HIS  HN      2.0 
          O     14 HIS   N      3.0 
 11 CYSS  O     15 CYSS HN      2.0 
          O     15 CYSS  N      3.0 
 12 ASN   O     16 LYS  HN      2.0 
          O     16 LYS   N      3.0 
 13 ASN   O     17 SER  HN      2.0 
          O     17 SER   N      3.0 
 14 HIS   O     18 ILE  HN      2.0 
          O     18 ILE   N      3.0 
 15 CYSS  O     19 SER  HN      2.0  
          O     19 SER   N      3.0 
 15 CYSS  O     20 CYSS HN      2.0  
          O     20 CYSS  N      3.0  
 22 ALA   O     37 THR  HN      2.0 
          O     37 THR   N      3.0 
 22 ALA  HN     37 THR   O      2.0 
          N     37 THR   O      3.0 
 24 TYR   O     35 THR  HN      2.0
          O     35 THR   N      3.0
 24 TYR  HN     35 THR   O      2.0 
          N     35 THR   O      3.0 
 
# disulfide bonds
  4 CYSS SG     25 CYSS SG      2.1
  4 CYSS CB     25 CYSS SG      3.1
  4 CYSS SG     25 CYSS CB      3.1
  4 CYSS CB     25 CYSS CB      3.95 

 11 CYSS SG     34 CYSS SG      2.1
 11 CYSS CB     34 CYSS SG      3.1
 11 CYSS SG     34 CYSS CB      3.1
 11 CYSS CB     34 CYSS CB      3.95

 15 CYSS SG     36 CYSS SG      2.1
 15 CYSS CB     36 CYSS SG      3.1
 15 CYSS SG     36 CYSS CB      3.1
 15 CYSS CB     36 CYSS CB      3.95 

 20 CYSS SG     39 CYSS SG      2.1
 20 CYSS CB     39 CYSS SG      3.1
 20 CYSS SG     39 CYSS CB      3.1
 20 CYSS CB     39 CYSS CB      3.95




# Angular constraints for the Crassostrea gigas defensin

#                  upper   lower

   8 GLN   PHI     -90.0   -30.0
   9 LEU   PHI     -90.0   -30.0
  10 LYS   PHI     -90.0   -30.0
  11 CYSS  PHI     -90.0   -30.0
  12 ASN   PHI     -90.0   -30.0
  13 ASN   PHI     -90.0   -30.0
  14 HIS   PHI     -90.0   -30.0
  15 CYSS  PHI     -90.0   -30.0
  16 LYS   PHI     -90.0   -30.0


  11 CYSS CHI1     -70.0   -50.0
  39 CYSS CHI1     -70.0   -50.0
  15 CYSS CHI1     -70.0   -50.0
  25 CYSS CHI1     -70.0   -50.0


 
#Crassostrea Gigas defensin lower limit constraints

# disulfide bonds
  4 CYSS SG     25 CYSS SG      1.8
  4 CYSS CB     25 CYSS SG      3.0
  4 CYSS SG     25 CYSS CB      3.0
  4 CYSS CB     25 CYSS CB      3.75 

 11 CYSS SG     34 CYSS SG      1.8
 11 CYSS CB     34 CYSS SG      3.0
 11 CYSS SG     34 CYSS CB      3.0
 11 CYSS CB     34 CYSS CB      3.75

 15 CYSS SG     36 CYSS SG      1.8
 15 CYSS CB     36 CYSS SG      3.0
 15 CYSS SG     36 CYSS CB      3.0
 15 CYSS CB     36 CYSS CB      3.75 

 20 CYSS SG     39 CYSS SG      1.8
 20 CYSS CB     39 CYSS SG      3.0
 20 CYSS SG     39 CYSS CB      3.0
 20 CYSS CB     39 CYSS CB      3.75

# hydrogen bonds

  9 LEU   O     13 ASN  HN      1.9 
          O     13 ASN   N      2.9
 10 LYS   O     14 HIS  HN      1.9 
          O     14 HIS   N      2.9 
 11 CYSS  O     15 CYSS HN      1.9 
          O     15 CYSS  N      2.9 
 12 ASN   O     16 LYS  HN      1.9 
          O     16 LYS   N      2.9 
 13 ASN   O     17 SER  HN      1.9 
          O     17 SER   N      2.9
 14 HIS   O     18 ILE  HN      1.9 
          O     18 ILE   N      2.9 
 15 CYSS  O     19 SER  HN      1.9 
          O     19 SER   N      2.9 
 15 CYSS  O     20 CYSS HN      1.9  

 22 ALA   O     37 THR  HN      1.9 
          O     37 THR   N      2.9 
 24 TYR   O     35 THR  HN      1.9
          O     35 THR   N      2.9
 35 THR   O     24 TYR  HN      1.9
          O     24 TYR   N      2.9 
 37 THR   O     22 ALA  HN      1.9
          O     22 ALA   N      2.9 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           H        GLY   1   1.884   0.000   0.829
    2   1HA   GLY   1          1HA       GLY   1   1.761  -0.843  -1.862
    3   2HA   GLY   1          2HA       GLY   1   1.850   0.906  -1.808
    4    H    PHE   2           H        PHE   2   3.891   1.717  -1.925
    5    HA   PHE   2           HA       PHE   2   5.931   0.757  -0.215
    6   1HB   PHE   2          1HB       PHE   2   5.607  -0.245  -3.012
    7   2HB   PHE   2          2HB       PHE   2   7.195   0.436  -2.725
    8    HD1  PHE   2           HD1      PHE   2   5.110  -2.421  -2.312
    9    HD2  PHE   2           HD2      PHE   2   8.525  -0.468  -0.724
   10    HE1  PHE   2           HE1      PHE   2   5.836  -4.568  -1.233
   11    HE2  PHE   2           HE2      PHE   2   9.252  -2.614   0.355
   12    HZ   PHE   2           HZ       PHE   2   7.898  -4.639   0.088
   13    H    GLY   3           H        GLY   3   4.566   3.269  -0.840
   14   1HA   GLY   3          1HA       GLY   3   6.567   5.088  -0.760
   15   2HA   GLY   3          2HA       GLY   3   6.347   4.837  -2.481
   16    H    CYS   4           H        CYS   4   3.592   4.420  -2.741
   17    HA   CYS   4           HA       CYS   4   2.654   7.048  -2.609
   18   1HB   CYS   4          1HB       CYS   4   1.649   4.434  -3.502
   19   2HB   CYS   4          2HB       CYS   4   0.396   5.518  -2.930
   20    HA   PRO   5           HA       PRO   5   0.392   7.485  -2.644
   21   1HB   PRO   5          1HB       PRO   5  -0.886   9.653  -1.579
   22   2HB   PRO   5          2HB       PRO   5  -1.688   8.128  -1.896
   23   1HG   PRO   5          1HG       PRO   5  -0.824   9.264   0.693
   24   2HG   PRO   5          2HG       PRO   5  -1.979   7.981   0.387
   25   1HD   PRO   5          1HD       PRO   5   0.718   7.677   1.314
   26   2HD   PRO   5          2HD       PRO   5  -0.399   6.392   0.898
   27    H    GLY   6           H        GLY   6   0.866   9.461  -3.861
   28   1HA   GLY   6          1HA       GLY   6   2.209  11.203  -4.363
   29   2HA   GLY   6          2HA       GLY   6   2.597  11.378  -2.663
   30    H    ASN   7           H        ASN   7   3.076   8.608  -4.968
   31    HA   ASN   7           HA       ASN   7   5.797   9.049  -5.261
   32   1HB   ASN   7          1HB       ASN   7   5.003   7.612  -2.817
   33   2HB   ASN   7          2HB       ASN   7   5.998   6.593  -3.840
   34   1HD2  ASN   7          1HD2      ASN   7   7.342   6.896  -1.834
   35   2HD2  ASN   7          2HD2      ASN   7   8.496   8.187  -1.823
   36    H    GLN   8           H        GLN   8   4.677   8.559  -7.399
   37    HA   GLN   8           HA       GLN   8   3.856   5.816  -7.710
   38   1HB   GLN   8          1HB       GLN   8   3.004   8.222  -8.835
   39   2HB   GLN   8          2HB       GLN   8   3.937   7.506 -10.134
   40   1HG   GLN   8          1HG       GLN   8   2.427   5.808 -10.465
   41   2HG   GLN   8          2HG       GLN   8   2.162   5.570  -8.749
   42   1HE2  GLN   8          1HE2      GLN   8   0.645   6.302 -11.469
   43   2HE2  GLN   8          2HE2      GLN   8  -0.615   7.360 -10.927
   44    H    LEU   9           H        LEU   9   6.632   7.885  -8.216
   45    HA   LEU   9           HA       LEU   9   7.787   6.244 -10.267
   46   1HB   LEU   9          1HB       LEU   9   9.477   7.798 -10.352
   47   2HB   LEU   9          2HB       LEU   9   8.078   8.756  -9.908
   48    HG   LEU   9           HG       LEU   9   9.538   7.792  -7.565
   49   1HD1  LEU   9          1HD1      LEU   9  11.608   8.757  -7.821
   50   2HD1  LEU   9          2HD1      LEU   9  11.326   8.115  -9.457
   51   3HD1  LEU   9          3HD1      LEU   9  11.068   9.844  -9.123
   52   1HD2  LEU   9          1HD2      LEU   9   9.347  10.683  -8.110
   53   2HD2  LEU   9          2HD2      LEU   9   7.796   9.809  -8.130
   54   3HD2  LEU   9          3HD2      LEU   9   8.840   9.738  -6.690
   55    H    LYS  10           H        LYS  10   7.588   6.284  -6.769
   56    HA   LYS  10           HA       LYS  10   9.980   4.811  -6.328
   57   1HB   LYS  10          1HB       LYS  10   8.150   6.234  -4.772
   58   2HB   LYS  10          2HB       LYS  10   7.937   4.572  -4.259
   59   1HG   LYS  10          1HG       LYS  10  10.706   4.758  -4.439
   60   2HG   LYS  10          2HG       LYS  10  10.275   6.372  -3.910
   61   1HD   LYS  10          1HD       LYS  10   9.189   5.561  -1.929
   62   2HD   LYS  10          2HD       LYS  10   9.104   3.922  -2.541
   63   1HE   LYS  10          1HE       LYS  10  11.278   3.435  -1.940
   64   2HE   LYS  10          2HE       LYS  10  11.868   5.028  -2.369
   65   1HZ   LYS  10          1HZ       LYS  10  10.172   5.348  -0.173
   66   2HZ   LYS  10          2HZ       LYS  10  11.147   4.094   0.189
   67    H    CYS  11           H        CYS  11   6.699   4.066  -7.341
   68    HA   CYS  11           HA       CYS  11   6.842   1.332  -6.540
   69   1HB   CYS  11          1HB       CYS  11   4.932   2.745  -8.413
   70   2HB   CYS  11          2HB       CYS  11   4.759   1.097  -7.844
   71    H    ASN  12           H        ASN  12   7.579   3.351  -9.394
   72    HA   ASN  12           HA       ASN  12   7.799   1.189 -11.174
   73   1HB   ASN  12          1HB       ASN  12   7.483   3.292 -12.228
   74   2HB   ASN  12          2HB       ASN  12   8.620   4.107 -11.173
   75   1HD2  ASN  12          1HD2      ASN  12   9.202   0.999 -12.699
   76   2HD2  ASN  12          2HD2      ASN  12  10.453   1.495 -13.789
   77    H    ASN  13           H        ASN  13  10.053   3.140  -9.125
   78    HA   ASN  13           HA       ASN  13  12.383   1.967 -10.118
   79   1HB   ASN  13          1HB       ASN  13  11.965   3.160  -7.330
   80   2HB   ASN  13          2HB       ASN  13  13.482   3.048  -8.201
   81   1HD2  ASN  13          1HD2      ASN  13  11.935   5.335  -7.111
   82   2HD2  ASN  13          2HD2      ASN  13  11.733   6.458  -8.414
   83    H    HIS  14           H        HIS  14  10.047   1.218  -7.503
   84    HA   HIS  14           HA       HIS  14  11.688  -0.718  -6.243
   85   1HB   HIS  14          1HB       HIS  14  10.079   0.307  -4.881
   86   2HB   HIS  14          2HB       HIS  14   8.795   0.089  -6.054
   87    HD1  HIS  14           HD1      HIS  14  10.368  -1.491  -3.116
   88    HD2  HIS  14           HD2      HIS  14   7.859  -2.684  -6.260
   89    HE1  HIS  14           HE1      HIS  14   9.346  -3.720  -2.409
   90    H    CYS  15           H        CYS  15   9.316  -0.690  -8.900
   91    HA   CYS  15           HA       CYS  15   9.054  -3.521  -8.952
   92   1HB   CYS  15          1HB       CYS  15   8.267  -1.336 -10.880
   93   2HB   CYS  15          2HB       CYS  15   8.004  -3.036 -11.217
   94    H    LYS  16           H        LYS  16  11.244  -1.054 -10.229
   95    HA   LYS  16           HA       LYS  16  12.339  -2.799 -12.240
   96   1HB   LYS  16          1HB       LYS  16  13.250  -0.932 -13.092
   97   2HB   LYS  16          2HB       LYS  16  12.134  -0.099 -12.029
   98   1HG   LYS  16          1HG       LYS  16  14.056  -0.349 -10.226
   99   2HG   LYS  16          2HG       LYS  16  15.090  -0.636 -11.612
  100   1HD   LYS  16          1HD       LYS  16  13.321   1.686 -12.026
  101   2HD   LYS  16          2HD       LYS  16  14.321   1.874 -10.600
  102   1HE   LYS  16          1HE       LYS  16  15.964   0.778 -12.718
  103   2HE   LYS  16          2HE       LYS  16  15.094   2.158 -13.357
  104   1HZ   LYS  16          1HZ       LYS  16  16.493   2.331 -10.756
  105   2HZ   LYS  16          2HZ       LYS  16  17.283   2.617 -12.151
  106    H    SER  17           H        SER  17  12.815  -2.045  -8.842
  107    HA   SER  17           HA       SER  17  15.488  -3.055  -8.850
  108   1HB   SER  17          1HB       SER  17  14.044  -1.352  -7.193
  109   2HB   SER  17          2HB       SER  17  14.097  -2.824  -6.244
  110    HG   SER  17           HG       SER  17  16.155  -1.042  -6.900
  111    H    ILE  18           H        ILE  18  12.171  -4.182  -8.228
  112    HA   ILE  18           HA       ILE  18  13.022  -6.587  -6.924
  113    HB   ILE  18           HB       ILE  18  10.655  -7.169  -7.003
  114   1HG1  ILE  18          1HG1      ILE  18   9.146  -5.173  -7.854
  115   2HG1  ILE  18          2HG1      ILE  18  10.521  -4.839  -8.887
  116   1HG2  ILE  18          1HG2      ILE  18  10.625  -6.011  -5.110
  117   2HG2  ILE  18          2HG2      ILE  18  11.806  -4.839  -5.743
  118   3HG2  ILE  18          3HG2      ILE  18  10.067  -4.599  -6.038
  119   1HD1  ILE  18          1HD1      ILE  18   8.561  -7.034  -9.034
  120   2HD1  ILE  18          2HD1      ILE  18   9.652  -6.403 -10.291
  121   3HD1  ILE  18          3HD1      ILE  18  10.243  -7.609  -9.123
  122    H    SER  19           H        SER  19  11.562  -5.748 -10.143
  123    HA   SER  19           HA       SER  19  13.058  -6.940 -11.828
  124   1HB   SER  19          1HB       SER  19  11.834  -9.128 -10.174
  125   2HB   SER  19          2HB       SER  19  11.949  -9.409 -11.900
  126    HG   SER  19           HG       SER  19  13.841 -10.070 -10.489
  127    H    CYS  20           H        CYS  20  11.432  -5.140 -12.473
  128    HA   CYS  20           HA       CYS  20   9.419  -6.388 -14.095
  129   1HB   CYS  20          1HB       CYS  20   8.727  -4.866 -11.653
  130   2HB   CYS  20          2HB       CYS  20   7.847  -4.415 -13.099
  131    H    ARG  21           H        ARG  21   8.102  -4.094 -14.993
  132    HA   ARG  21           HA       ARG  21  10.355  -2.623 -16.066
  133   1HB   ARG  21          1HB       ARG  21   7.478  -3.002 -17.018
  134   2HB   ARG  21          2HB       ARG  21   8.555  -1.837 -17.762
  135   1HG   ARG  21          1HG       ARG  21   9.649  -4.608 -17.428
  136   2HG   ARG  21          2HG       ARG  21   8.348  -4.432 -18.588
  137   1HD   ARG  21          1HD       ARG  21   9.937  -2.253 -19.231
  138   2HD   ARG  21          2HD       ARG  21  11.145  -3.414 -18.715
  139    HE   ARG  21           HE       ARG  21  10.784  -4.536 -20.720
  140   1HH1  ARG  21          2HH2      ARG  21   7.779  -2.872 -19.850
  141   2HH1  ARG  21          1HH2      ARG  21   6.935  -3.391 -21.270
  142   1HH2  ARG  21          HH1       ARG  21   8.066  -4.771 -22.870
  143    H    ALA  22           H        ALA  22   6.890  -2.027 -15.085
  144    HA   ALA  22           HA       ALA  22   7.653   0.167 -13.434
  145   1HB   ALA  22          1HB       ALA  22   7.394   1.890 -14.852
  146   2HB   ALA  22          2HB       ALA  22   7.287   0.717 -16.187
  147   3HB   ALA  22          3HB       ALA  22   5.806   1.278 -15.373
  148    H    GLY  23           H        GLY  23   6.011   0.633 -11.948
  149   1HA   GLY  23          1HA       GLY  23   3.551  -0.977 -12.284
  150   2HA   GLY  23          2HA       GLY  23   4.350  -0.679 -10.753
  151    H    TYR  24           H        TYR  24   2.272   0.206  -9.983
  152    HA   TYR  24           HA       TYR  24   2.215   3.011 -10.143
  153   1HB   TYR  24          1HB       TYR  24   0.069   3.206 -11.397
  154   2HB   TYR  24          2HB       TYR  24   1.219   2.345 -12.399
  155    HD1  TYR  24           HD1      TYR  24   0.527   0.383 -13.436
  156    HD2  TYR  24           HD2      TYR  24  -1.440   1.629  -9.846
  157    HE1  TYR  24           HE1      TYR  24  -1.120  -1.540 -13.662
  158    HE2  TYR  24           HE2      TYR  24  -3.081  -0.298 -10.085
  159    HH   TYR  24           HH       TYR  24  -2.630  -2.754 -12.547
  160    H    CYS  25           H        CYS  25   0.451   3.938  -8.794
  161    HA   CYS  25           HA       CYS  25  -0.157   2.088  -6.672
  162   1HB   CYS  25          1HB       CYS  25  -0.844   5.024  -6.823
  163   2HB   CYS  25          2HB       CYS  25  -0.797   4.007  -5.396
  164    H    ASP  26           H        ASP  26  -2.113   1.035  -6.521
  165    HA   ASP  26           HA       ASP  26  -3.937   0.861  -8.385
  166   1HB   ASP  26          1HB       ASP  26  -3.792  -0.170  -5.953
  167   2HB   ASP  26          2HB       ASP  26  -4.896   1.119  -5.516
  168    HD2  ASP  26           HD2      ASP  26  -5.593  -2.180  -6.307
  169    H    ALA  27           H        ALA  27  -4.703   2.684  -9.536
  170    HA   ALA  27           HA       ALA  27  -5.322   5.130  -8.265
  171   1HB   ALA  27          1HB       ALA  27  -5.683   3.923 -11.007
  172   2HB   ALA  27          2HB       ALA  27  -6.465   5.472 -10.607
  173   3HB   ALA  27          3HB       ALA  27  -4.694   5.316 -10.508
  174    H    ALA  28           H        ALA  28  -6.872   2.126  -8.200
  175    HA   ALA  28           HA       ALA  28  -9.536   3.324  -8.062
  176   1HB   ALA  28          1HB       ALA  28  -9.940   1.459  -9.280
  177   2HB   ALA  28          2HB       ALA  28  -8.401   0.705  -8.802
  178   3HB   ALA  28          3HB       ALA  28  -9.817   0.592  -7.730
  179    H    THR  29           H        THR  29  -6.926   2.960  -6.084
  180    HA   THR  29           HA       THR  29  -8.651   2.455  -3.751
  181    HB   THR  29           HB       THR  29  -6.656   0.760  -4.652
  182    HG1  THR  29           HG1      THR  29  -7.379   1.535  -1.913
  183   1HG2  THR  29          1HG2      THR  29  -4.638   1.114  -3.527
  184   2HG2  THR  29          2HG2      THR  29  -5.083   2.812  -3.827
  185   3HG2  THR  29          3HG2      THR  29  -5.411   2.072  -2.241
  186    H    LEU  30           H        LEU  30  -7.861   4.965  -5.258
  187    HA   LEU  30           HA       LEU  30  -7.383   7.048  -4.699
  188   1HB   LEU  30          1HB       LEU  30  -7.018   6.204  -1.833
  189   2HB   LEU  30          2HB       LEU  30  -7.470   7.778  -2.455
  190    HG   LEU  30           HG       LEU  30  -9.226   5.337  -2.778
  191   1HD1  LEU  30          1HD1      LEU  30  -8.618   6.040  -0.343
  192   2HD1  LEU  30          2HD1      LEU  30  -9.714   7.406  -0.658
  193   3HD1  LEU  30          3HD1      LEU  30 -10.316   5.736  -0.782
  194   1HD2  LEU  30          1HD2      LEU  30 -10.670   6.664  -3.834
  195   2HD2  LEU  30          2HD2      LEU  30 -10.503   7.953  -2.618
  196   3HD2  LEU  30          3HD2      LEU  30  -9.341   7.841  -3.962
  197    H    TRP  31           H        TRP  31  -5.355   4.932  -5.406
  198    HA   TRP  31           HA       TRP  31  -3.158   4.709  -5.598
  199   1HB   TRP  31          1HB       TRP  31  -3.296   7.692  -5.156
  200   2HB   TRP  31          2HB       TRP  31  -1.820   6.850  -5.585
  201    HD1  TRP  31           HD1      TRP  31  -1.480   6.316  -8.160
  202    HE1  TRP  31           HE1      TRP  31  -2.824   6.673 -10.403
  203    HE3  TRP  31           HE3      TRP  31  -5.839   7.707  -5.942
  204    HZ2  TRP  31           HZ2      TRP  31  -5.499   7.480 -10.985
  205    HZ3  TRP  31           HZ3      TRP  31  -7.768   8.263  -7.420
  206    HH2  TRP  31           HH2      TRP  31  -7.648   8.167  -9.860
  207    H    LEU  32           H        LEU  32  -2.740   3.329  -3.827
  208    HA   LEU  32           HA       LEU  32  -1.429   4.657  -1.600
  209   1HB   LEU  32          1HB       LEU  32  -3.902   2.985  -1.397
  210   2HB   LEU  32          2HB       LEU  32  -2.702   2.901  -0.123
  211    HG   LEU  32           HG       LEU  32  -4.219   5.359  -1.033
  212   1HD1  LEU  32          1HD1      LEU  32  -4.642   5.064   1.658
  213   2HD1  LEU  32          2HD1      LEU  32  -5.744   4.515   0.372
  214   3HD1  LEU  32          3HD1      LEU  32  -4.589   3.374   1.101
  215   1HD2  LEU  32          1HD2      LEU  32  -1.897   5.085   0.875
  216   2HD2  LEU  32          2HD2      LEU  32  -2.092   6.197  -0.501
  217   3HD2  LEU  32          3HD2      LEU  32  -3.059   6.430   0.975
  218    H    ARG  33           H        ARG  33  -2.426   1.540  -3.152
  219    HA   ARG  33           HA       ARG  33  -0.260   0.162  -2.017
  220   1HB   ARG  33          1HB       ARG  33  -2.612  -0.533  -3.352
  221   2HB   ARG  33          2HB       ARG  33  -1.387  -0.947  -4.535
  222   1HG   ARG  33          1HG       ARG  33  -1.013  -2.865  -3.386
  223   2HG   ARG  33          2HG       ARG  33  -0.342  -1.900  -2.086
  224   1HD   ARG  33          1HD       ARG  33  -2.072  -2.518  -0.754
  225   2HD   ARG  33          2HD       ARG  33  -3.184  -1.696  -1.830
  226    HE   ARG  33           HE       ARG  33  -3.901  -3.792  -2.536
  227   1HH1  ARG  33          2HH2      ARG  33  -0.526  -4.090  -1.500
  228   2HH1  ARG  33          1HH2      ARG  33  -0.451  -5.793  -1.809
  229   1HH2  ARG  33          HH1       ARG  33  -2.390  -6.917  -2.657
  230    H    CYS  34           H        CYS  34   1.196  -1.200  -3.768
  231    HA   CYS  34           HA       CYS  34   2.098   0.690  -5.805
  232   1HB   CYS  34          1HB       CYS  34   3.577  -0.219  -3.458
  233   2HB   CYS  34          2HB       CYS  34   4.418  -0.574  -4.954
  234    H    THR  35           H        THR  35   0.894  -0.703  -7.297
  235    HA   THR  35           HA       THR  35   1.578  -3.503  -7.401
  236    HB   THR  35           HB       THR  35  -0.597  -1.862  -8.150
  237    HG1  THR  35           HG1      THR  35   0.301  -4.572  -8.835
  238   1HG2  THR  35          1HG2      THR  35  -0.883  -2.551 -10.564
  239   2HG2  THR  35          2HG2      THR  35   0.424  -1.361 -10.350
  240   3HG2  THR  35          3HG2      THR  35   0.816  -3.082 -10.580
  241    H    CYS  36           H        CYS  36   2.334  -4.531  -9.454
  242    HA   CYS  36           HA       CYS  36   4.305  -2.778 -10.730
  243   1HB   CYS  36          1HB       CYS  36   4.598  -5.636  -9.811
  244   2HB   CYS  36          2HB       CYS  36   5.665  -4.919 -11.002
  245    H    THR  37           H        THR  37   4.194  -2.750 -12.975
  246    HA   THR  37           HA       THR  37   2.594  -4.869 -14.245
  247    HB   THR  37           HB       THR  37   1.932  -2.790 -15.789
  248    HG1  THR  37           HG1      THR  37   2.300  -0.853 -14.698
  249   1HG2  THR  37          1HG2      THR  37   0.621  -4.088 -13.682
  250   2HG2  THR  37          2HG2      THR  37   0.603  -2.383 -13.171
  251   3HG2  THR  37          3HG2      THR  37  -0.109  -2.852 -14.734
  252    H    ASP  38           H        ASP  38   3.216  -5.506 -16.336
  253    HA   ASP  38           HA       ASP  38   4.625  -5.952 -17.921
  254   1HB   ASP  38          1HB       ASP  38   5.316  -3.052 -17.407
  255   2HB   ASP  38          2HB       ASP  38   6.320  -3.969 -18.512
  256    HD2  ASP  38           HD2      ASP  38   4.423  -1.781 -18.856
  257    H    CYS  39           H        CYS  39   6.215  -7.478 -17.454
  258    HA   CYS  39           HA       CYS  39   8.552  -6.539 -15.985
  259   1HB   CYS  39          1HB       CYS  39   7.207  -9.176 -15.378
  260   2HB   CYS  39          2HB       CYS  39   8.618  -8.496 -14.593
  261    H    ASN  40           H        ASN  40  10.506  -7.711 -16.589
  262    HA   ASN  40           HA       ASN  40  10.120  -9.200 -19.061
  263   1HB   ASN  40          1HB       ASN  40  11.515  -7.032 -19.069
  264   2HB   ASN  40          2HB       ASN  40  12.683  -7.859 -18.057
  265   1HD2  ASN  40          1HD2      ASN  40  10.861  -8.214 -21.087
  266   2HD2  ASN  40          2HD2      ASN  40  12.102  -8.999 -22.005
  267    H    GLY  41           H        GLY  41   9.707 -11.178 -17.685
  268   1HA   GLY  41          1HA       GLY  41  12.139 -12.614 -17.161
  269   2HA   GLY  41          2HA       GLY  41  11.273 -12.193 -15.697
  270    H    LYS  42           H        LYS  42  10.415 -13.365 -19.040
  271    HA   LYS  42           HA       LYS  42   8.999 -15.580 -17.774
  272   1HB   LYS  42          1HB       LYS  42   7.527 -13.465 -18.417
  273   2HB   LYS  42          2HB       LYS  42   7.635 -14.152 -20.025
  274   1HG   LYS  42          1HG       LYS  42   5.771 -15.305 -19.271
  275   2HG   LYS  42          2HG       LYS  42   7.011 -16.423 -18.740
  276   1HD   LYS  42          1HD       LYS  42   6.343 -14.208 -16.834
  277   2HD   LYS  42          2HD       LYS  42   5.091 -15.409 -17.081
  278   1HE   LYS  42          1HE       LYS  42   7.379 -16.986 -16.804
  279   2HE   LYS  42          2HE       LYS  42   7.697 -15.668 -15.693
  280   1HZ   LYS  42          1HZ       LYS  42   6.194 -16.535 -14.289
  281   2HZ   LYS  42          2HZ       LYS  42   5.009 -16.502 -15.405
  282    H    LYS  43           H        LYS  43   9.585 -17.473 -18.696
  283    HA   LYS  43           HA       LYS  43  10.785 -18.808 -20.022
  284   1HB   LYS  43          1HB       LYS  43   8.444 -17.842 -21.344
  285   2HB   LYS  43          2HB       LYS  43   9.691 -18.050 -22.557
  286   1HG   LYS  43          1HG       LYS  43   9.501 -20.251 -20.544
  287   2HG   LYS  43          2HG       LYS  43   8.116 -20.092 -21.605
  288   1HD   LYS  43          1HD       LYS  43  10.250 -19.825 -23.381
  289   2HD   LYS  43          2HD       LYS  43  10.874 -20.987 -22.228
  290   1HE   LYS  43          1HE       LYS  43   9.544 -22.633 -23.057
  291   2HE   LYS  43          2HE       LYS  43   8.108 -21.648 -22.867
  292   1HZ   LYS  43          1HZ       LYS  43   9.473 -20.583 -25.032
  293   2HZ   LYS  43          2HZ       LYS  43   9.545 -22.195 -25.250
  Start of MODEL    2
    1   1H    GLY   1           H        GLY   1   0.801   1.825   1.402
    2   1HA   GLY   1          1HA       GLY   1   1.711   0.515  -0.784
    3   2HA   GLY   1          2HA       GLY   1   1.729   2.259  -0.611
    4    H    PHE   2           H        PHE   2   3.667   0.942  -2.177
    5    HA   PHE   2           HA       PHE   2   6.029   0.680  -0.526
    6   1HB   PHE   2          1HB       PHE   2   5.176   0.278  -3.425
    7   2HB   PHE   2          2HB       PHE   2   6.890   0.413  -3.086
    8    HD1  PHE   2           HD1      PHE   2   7.182  -1.043  -0.569
    9    HD2  PHE   2           HD2      PHE   2   4.780  -1.940  -3.951
   10    HE1  PHE   2           HE1      PHE   2   7.256  -3.480   0.024
   11    HE2  PHE   2           HE2      PHE   2   4.854  -4.377  -3.358
   12    HZ   PHE   2           HZ       PHE   2   6.091  -5.119  -1.377
   13    H    GLY   3           H        GLY   3   4.529   3.333  -0.939
   14   1HA   GLY   3          1HA       GLY   3   6.501   5.133  -0.797
   15   2HA   GLY   3          2HA       GLY   3   6.385   4.900  -2.530
   16    H    CYS   4           H        CYS   4   3.590   4.439  -2.844
   17    HA   CYS   4           HA       CYS   4   2.680   7.102  -2.768
   18   1HB   CYS   4          1HB       CYS   4   1.794   4.546  -3.853
   19   2HB   CYS   4          2HB       CYS   4   0.456   5.495  -3.232
   20    HA   PRO   5           HA       PRO   5   0.446   7.578  -2.924
   21   1HB   PRO   5          1HB       PRO   5  -0.862   9.736  -1.874
   22   2HB   PRO   5          2HB       PRO   5  -1.667   8.235  -2.287
   23   1HG   PRO   5          1HG       PRO   5  -0.950   9.277   0.384
   24   2HG   PRO   5          2HG       PRO   5  -2.103   8.025  -0.032
   25   1HD   PRO   5          1HD       PRO   5   0.525   7.646   1.051
   26   2HD   PRO   5          2HD       PRO   5  -0.582   6.393   0.527
   27    H    GLY   6           H        GLY   6   1.085   9.513  -4.080
   28   1HA   GLY   6          1HA       GLY   6   2.464  11.271  -4.430
   29   2HA   GLY   6          2HA       GLY   6   2.755  11.385  -2.706
   30    H    ASN   7           H        ASN   7   3.360   8.833  -5.236
   31    HA   ASN   7           HA       ASN   7   6.052   9.162  -5.370
   32   1HB   ASN   7          1HB       ASN   7   5.215   7.769  -2.911
   33   2HB   ASN   7          2HB       ASN   7   6.241   6.743  -3.892
   34   1HD2  ASN   7          1HD2      ASN   7   7.602   7.044  -1.942
   35   2HD2  ASN   7          2HD2      ASN   7   8.720   8.365  -1.903
   36    H    GLN   8           H        GLN   8   4.965   8.623  -7.514
   37    HA   GLN   8           HA       GLN   8   4.158   5.869  -7.774
   38   1HB   GLN   8          1HB       GLN   8   2.929   7.879  -8.827
   39   2HB   GLN   8          2HB       GLN   8   4.258   7.980  -9.964
   40   1HG   GLN   8          1HG       GLN   8   3.824   5.455 -10.438
   41   2HG   GLN   8          2HG       GLN   8   2.314   5.669  -9.576
   42   1HE2  GLN   8          1HE2      GLN   8   0.682   5.904 -10.882
   43   2HE2  GLN   8          2HE2      GLN   8   0.635   6.795 -12.366
   44    H    LEU   9           H        LEU   9   6.976   7.842  -8.123
   45    HA   LEU   9           HA       LEU   9   8.158   6.238 -10.201
   46   1HB   LEU   9          1HB       LEU   9   9.910   7.746 -10.168
   47   2HB   LEU   9          2HB       LEU   9   8.492   8.722  -9.841
   48    HG   LEU   9           HG       LEU   9   9.878   7.730  -7.428
   49   1HD1  LEU   9          1HD1      LEU   9  11.647   8.364  -9.305
   50   2HD1  LEU   9          2HD1      LEU   9  11.259  10.013  -8.757
   51   3HD1  LEU   9          3HD1      LEU   9  11.875   8.813  -7.596
   52   1HD2  LEU   9          1HD2      LEU   9   8.406   9.270  -6.733
   53   2HD2  LEU   9          2HD2      LEU   9   9.656  10.442  -7.214
   54   3HD2  LEU   9          3HD2      LEU   9   8.319  10.060  -8.326
   55    H    LYS  10           H        LYS  10   7.833   6.208  -6.717
   56    HA   LYS  10           HA       LYS  10  10.189   4.677  -6.237
   57   1HB   LYS  10          1HB       LYS  10   8.396   6.151  -4.701
   58   2HB   LYS  10          2HB       LYS  10   8.076   4.497  -4.221
   59   1HG   LYS  10          1HG       LYS  10  10.844   4.503  -4.302
   60   2HG   LYS  10          2HG       LYS  10  10.517   6.151  -3.804
   61   1HD   LYS  10          1HD       LYS  10   9.214   5.401  -1.884
   62   2HD   LYS  10          2HD       LYS  10   9.227   3.742  -2.449
   63   1HE   LYS  10          1HE       LYS  10  10.924   3.763  -0.793
   64   2HE   LYS  10          2HE       LYS  10  11.826   3.886  -2.290
   65   1HZ   LYS  10          1HZ       LYS  10  11.658   6.405  -1.908
   66   2HZ   LYS  10          2HZ       LYS  10  11.220   6.058  -0.379
   67    H    CYS  11           H        CYS  11   6.890   4.042  -7.291
   68    HA   CYS  11           HA       CYS  11   6.944   1.297  -6.528
   69   1HB   CYS  11          1HB       CYS  11   5.108   2.689  -8.486
   70   2HB   CYS  11          2HB       CYS  11   4.857   1.119  -7.750
   71    H    ASN  12           H        ASN  12   7.812   3.322  -9.335
   72    HA   ASN  12           HA       ASN  12   8.034   1.119 -11.098
   73   1HB   ASN  12          1HB       ASN  12   7.643   3.177 -12.210
   74   2HB   ASN  12          2HB       ASN  12   8.742   4.065 -11.172
   75   1HD2  ASN  12          1HD2      ASN  12   9.219   0.992 -12.880
   76   2HD2  ASN  12          2HD2      ASN  12  10.537   1.495 -13.887
   77    H    ASN  13           H        ASN  13  10.100   2.953  -8.839
   78    HA   ASN  13           HA       ASN  13  12.530   1.967  -9.890
   79   1HB   ASN  13          1HB       ASN  13  11.852   3.237  -7.185
   80   2HB   ASN  13          2HB       ASN  13  13.486   2.924  -7.735
   81   1HD2  ASN  13          1HD2      ASN  13  12.140   5.428  -7.069
   82   2HD2  ASN  13          2HD2      ASN  13  12.258   6.463  -8.453
   83    H    HIS  14           H        HIS  14  10.104   1.000  -7.470
   84    HA   HIS  14           HA       HIS  14  11.832  -0.921  -6.227
   85   1HB   HIS  14          1HB       HIS  14  10.355  -0.116  -4.682
   86   2HB   HIS  14          2HB       HIS  14   9.060   0.089  -5.843
   87    HD1  HIS  14           HD1      HIS  14  10.671  -2.516  -3.625
   88    HD2  HIS  14           HD2      HIS  14   7.338  -2.113  -6.140
   89    HE1  HIS  14           HE1      HIS  14   9.197  -4.554  -3.192
   90    H    CYS  15           H        CYS  15   9.388  -0.783  -8.809
   91    HA   CYS  15           HA       CYS  15   9.075  -3.607  -8.934
   92   1HB   CYS  15          1HB       CYS  15   8.279  -1.353 -10.778
   93   2HB   CYS  15          2HB       CYS  15   7.978  -3.037 -11.158
   94    H    LYS  16           H        LYS  16  11.155  -1.085 -10.375
   95    HA   LYS  16           HA       LYS  16  12.229  -2.877 -12.350
   96   1HB   LYS  16          1HB       LYS  16  13.451  -1.021 -13.124
   97   2HB   LYS  16          2HB       LYS  16  11.895  -0.380 -12.639
   98   1HG   LYS  16          1HG       LYS  16  13.445   1.145 -11.688
   99   2HG   LYS  16          2HG       LYS  16  12.997   0.122 -10.338
  100   1HD   LYS  16          1HD       LYS  16  15.159  -0.490 -10.056
  101   2HD   LYS  16          2HD       LYS  16  15.197  -1.160 -11.674
  102   1HE   LYS  16          1HE       LYS  16  16.396   0.601 -12.486
  103   2HE   LYS  16          2HE       LYS  16  15.322   1.774 -11.749
  104   1HZ   LYS  16          1HZ       LYS  16  17.603   1.835 -10.821
  105   2HZ   LYS  16          2HZ       LYS  16  16.505   1.514  -9.662
  106    H    SER  17           H        SER  17  12.882  -1.887  -9.024
  107    HA   SER  17           HA       SER  17  15.573  -2.772  -9.086
  108   1HB   SER  17          1HB       SER  17  14.909  -1.045  -7.500
  109   2HB   SER  17          2HB       SER  17  13.669  -2.075  -6.812
  110    HG   SER  17           HG       SER  17  15.493  -3.575  -6.223
  111    H    ILE  18           H        ILE  18  12.368  -4.135  -8.281
  112    HA   ILE  18           HA       ILE  18  13.454  -6.481  -7.061
  113    HB   ILE  18           HB       ILE  18  11.159  -7.227  -6.977
  114   1HG1  ILE  18          1HG1      ILE  18  10.601  -4.884  -8.811
  115   2HG1  ILE  18          2HG1      ILE  18  10.327  -6.585  -9.131
  116   1HG2  ILE  18          1HG2      ILE  18  11.227  -5.964  -5.140
  117   2HG2  ILE  18          2HG2      ILE  18  12.060  -4.631  -5.976
  118   3HG2  ILE  18          3HG2      ILE  18  10.288  -4.772  -6.070
  119   1HD1  ILE  18          1HD1      ILE  18   8.179  -5.910  -8.509
  120   2HD1  ILE  18          2HD1      ILE  18   8.818  -6.450  -6.937
  121   3HD1  ILE  18          3HD1      ILE  18   8.783  -4.715  -7.335
  122    H    SER  19           H        SER  19  11.753  -5.773 -10.195
  123    HA   SER  19           HA       SER  19  13.276  -6.840 -11.956
  124   1HB   SER  19          1HB       SER  19  13.833  -8.908 -11.042
  125   2HB   SER  19          2HB       SER  19  12.275  -9.111 -10.264
  126    HG   SER  19           HG       SER  19  11.891 -10.432 -11.914
  127    H    CYS  20           H        CYS  20  11.469  -5.140 -12.462
  128    HA   CYS  20           HA       CYS  20   9.502  -6.516 -14.041
  129   1HB   CYS  20          1HB       CYS  20   8.800  -5.216 -11.504
  130   2HB   CYS  20          2HB       CYS  20   7.875  -4.627 -12.872
  131    H    ARG  21           H        ARG  21   8.002  -4.405 -14.942
  132    HA   ARG  21           HA       ARG  21  10.039  -2.796 -16.157
  133   1HB   ARG  21          1HB       ARG  21   7.208  -3.545 -16.742
  134   2HB   ARG  21          2HB       ARG  21   7.636  -1.914 -17.223
  135   1HG   ARG  21          1HG       ARG  21   9.476  -4.216 -17.934
  136   2HG   ARG  21          2HG       ARG  21   8.039  -3.927 -18.895
  137   1HD   ARG  21          1HD       ARG  21   8.863  -1.445 -19.035
  138   2HD   ARG  21          2HD       ARG  21  10.399  -2.057 -18.456
  139    HE   ARG  21           HE       ARG  21   9.264  -3.506 -20.765
  140   1HH1  ARG  21          2HH2      ARG  21  11.469  -0.956 -19.674
  141   2HH1  ARG  21          1HH2      ARG  21  12.385  -0.948 -21.143
  142   1HH2  ARG  21          HH1       ARG  21  11.783  -2.449 -22.911
  143    H    ALA  22           H        ALA  22   6.767  -2.181 -14.659
  144    HA   ALA  22           HA       ALA  22   7.708  -0.202 -12.917
  145   1HB   ALA  22          1HB       ALA  22   6.400   0.816 -15.473
  146   2HB   ALA  22          2HB       ALA  22   6.758   1.798 -14.032
  147   3HB   ALA  22          3HB       ALA  22   8.088   1.087 -14.978
  148    H    GLY  23           H        GLY  23   6.022   0.496 -11.502
  149   1HA   GLY  23          1HA       GLY  23   3.453  -0.899 -11.970
  150   2HA   GLY  23          2HA       GLY  23   4.208  -0.696 -10.401
  151    H    TYR  24           H        TYR  24   1.736   0.194 -10.335
  152    HA   TYR  24           HA       TYR  24   2.053   3.090 -10.343
  153   1HB   TYR  24          1HB       TYR  24  -0.151   3.272 -11.524
  154   2HB   TYR  24          2HB       TYR  24   0.965   2.359 -12.518
  155    HD1  TYR  24           HD1      TYR  24   0.253   0.341 -13.433
  156    HD2  TYR  24           HD2      TYR  24  -1.654   1.795  -9.890
  157    HE1  TYR  24           HE1      TYR  24  -1.415  -1.575 -13.535
  158    HE2  TYR  24           HE2      TYR  24  -3.316  -0.125 -10.004
  159    HH   TYR  24           HH       TYR  24  -2.947  -2.687 -12.392
  160    H    CYS  25           H        CYS  25   0.290   4.175  -9.065
  161    HA   CYS  25           HA       CYS  25  -0.249   2.558  -6.752
  162   1HB   CYS  25          1HB       CYS  25  -1.007   5.444  -7.217
  163   2HB   CYS  25          2HB       CYS  25  -0.919   4.595  -5.685
  164    H    ASP  26           H        ASP  26  -2.096   1.329  -6.648
  165    HA   ASP  26           HA       ASP  26  -3.987   1.075  -8.433
  166   1HB   ASP  26          1HB       ASP  26  -3.688   0.426  -5.686
  167   2HB   ASP  26          2HB       ASP  26  -5.273   1.168  -5.796
  168    HD2  ASP  26           HD2      ASP  26  -5.584  -1.215  -5.134
  169    H    ALA  27           H        ALA  27  -4.900   2.865  -9.526
  170    HA   ALA  27           HA       ALA  27  -5.617   5.249  -8.177
  171   1HB   ALA  27          1HB       ALA  27  -5.887   4.095 -10.941
  172   2HB   ALA  27          2HB       ALA  27  -6.864   5.518 -10.509
  173   3HB   ALA  27          3HB       ALA  27  -5.089   5.595 -10.407
  174    H    ALA  28           H        ALA  28  -6.972   2.165  -8.119
  175    HA   ALA  28           HA       ALA  28  -9.702   3.203  -7.897
  176   1HB   ALA  28          1HB       ALA  28 -10.426   1.105  -8.520
  177   2HB   ALA  28          2HB       ALA  28  -8.841   1.109  -9.327
  178   3HB   ALA  28          3HB       ALA  28  -9.042   0.281  -7.764
  179    H    THR  29           H        THR  29  -7.011   2.878  -6.006
  180    HA   THR  29           HA       THR  29  -8.651   2.244  -3.645
  181    HB   THR  29           HB       THR  29  -6.746   0.554  -4.627
  182    HG1  THR  29           HG1      THR  29  -7.397  -0.259  -2.676
  183   1HG2  THR  29          1HG2      THR  29  -5.198   1.784  -2.386
  184   2HG2  THR  29          2HG2      THR  29  -4.605   0.976  -3.858
  185   3HG2  THR  29          3HG2      THR  29  -5.122   2.678  -3.924
  186    H    LEU  30           H        LEU  30  -8.089   4.832  -4.989
  187    HA   LEU  30           HA       LEU  30  -7.574   6.894  -4.397
  188   1HB   LEU  30          1HB       LEU  30  -7.165   5.862  -1.591
  189   2HB   LEU  30          2HB       LEU  30  -7.514   7.508  -2.081
  190    HG   LEU  30           HG       LEU  30  -9.414   5.179  -2.472
  191   1HD1  LEU  30          1HD1      LEU  30  -9.926   7.303  -0.441
  192   2HD1  LEU  30          2HD1      LEU  30 -10.427   5.595  -0.473
  193   3HD1  LEU  30          3HD1      LEU  30  -8.754   6.023  -0.044
  194   1HD2  LEU  30          1HD2      LEU  30 -10.667   6.545  -3.687
  195   2HD2  LEU  30          2HD2      LEU  30 -10.663   7.763  -2.389
  196   3HD2  LEU  30          3HD2      LEU  30  -9.371   7.763  -3.613
  197    H    TRP  31           H        TRP  31  -5.555   5.092  -5.456
  198    HA   TRP  31           HA       TRP  31  -3.348   4.846  -5.658
  199   1HB   TRP  31          1HB       TRP  31  -3.526   7.803  -5.063
  200   2HB   TRP  31          2HB       TRP  31  -2.079   7.008  -5.652
  201    HD1  TRP  31           HD1      TRP  31  -1.895   6.789  -8.267
  202    HE1  TRP  31           HE1      TRP  31  -3.430   7.182 -10.376
  203    HE3  TRP  31           HE3      TRP  31  -6.182   7.584  -5.652
  204    HZ2  TRP  31           HZ2      TRP  31  -6.203   7.769 -10.708
  205    HZ3  TRP  31           HZ3      TRP  31  -8.259   8.061  -6.945
  206    HH2  TRP  31           HH2      TRP  31  -8.315   8.160  -9.386
  207    H    LEU  32           H        LEU  32  -3.011   3.395  -3.869
  208    HA   LEU  32           HA       LEU  32  -1.559   4.671  -1.686
  209   1HB   LEU  32          1HB       LEU  32  -3.946   2.862  -1.403
  210   2HB   LEU  32          2HB       LEU  32  -2.731   2.979  -0.147
  211    HG   LEU  32           HG       LEU  32  -4.487   5.215  -1.190
  212   1HD1  LEU  32          1HD1      LEU  32  -4.546   3.438   1.198
  213   2HD1  LEU  32          2HD1      LEU  32  -4.995   5.144   1.429
  214   3HD1  LEU  32          3HD1      LEU  32  -5.878   4.143   0.252
  215   1HD2  LEU  32          1HD2      LEU  32  -2.355   6.195  -0.737
  216   2HD2  LEU  32          2HD2      LEU  32  -3.436   6.588   0.621
  217   3HD2  LEU  32          3HD2      LEU  32  -2.209   5.311   0.802
  218    H    ARG  33           H        ARG  33  -2.639   1.532  -3.158
  219    HA   ARG  33           HA       ARG  33  -0.372   0.194  -2.201
  220   1HB   ARG  33          1HB       ARG  33  -2.795  -0.581  -3.253
  221   2HB   ARG  33          2HB       ARG  33  -1.757  -0.872  -4.635
  222   1HG   ARG  33          1HG       ARG  33  -1.324  -2.881  -3.633
  223   2HG   ARG  33          2HG       ARG  33  -0.227  -1.965  -2.619
  224   1HD   ARG  33          1HD       ARG  33  -1.582  -2.135  -0.770
  225   2HD   ARG  33          2HD       ARG  33  -3.047  -1.864  -1.692
  226    HE   ARG  33           HE       ARG  33  -1.764  -4.469  -1.157
  227   1HH1  ARG  33          2HH2      ARG  33  -4.208  -2.709  -3.022
  228   2HH1  ARG  33          1HH2      ARG  33  -5.111  -4.132  -3.417
  229   1HH2  ARG  33          HH1       ARG  33  -4.356  -6.262  -2.617
  230    H    CYS  34           H        CYS  34   0.843  -1.220  -4.174
  231    HA   CYS  34           HA       CYS  34   1.560   0.635  -6.289
  232   1HB   CYS  34          1HB       CYS  34   3.358  -0.226  -4.084
  233   2HB   CYS  34          2HB       CYS  34   4.032  -0.233  -5.702
  234    H    THR  35           H        THR  35   0.486  -0.850  -7.719
  235    HA   THR  35           HA       THR  35   1.280  -3.635  -7.652
  236    HB   THR  35           HB       THR  35  -1.030  -2.200  -8.349
  237    HG1  THR  35           HG1      THR  35  -1.670  -4.393  -8.760
  238   1HG2  THR  35          1HG2      THR  35   0.314  -3.379 -10.839
  239   2HG2  THR  35          2HG2      THR  35  -1.398  -2.903 -10.730
  240   3HG2  THR  35          3HG2      THR  35  -0.121  -1.669 -10.607
  241    H    CYS  36           H        CYS  36   2.763  -4.627  -8.899
  242    HA   CYS  36           HA       CYS  36   4.360  -2.900 -10.562
  243   1HB   CYS  36          1HB       CYS  36   4.661  -5.716  -9.546
  244   2HB   CYS  36          2HB       CYS  36   5.690  -5.104 -10.826
  245    H    THR  37           H        THR  37   3.872  -2.646 -12.713
  246    HA   THR  37           HA       THR  37   2.417  -4.851 -14.021
  247    HB   THR  37           HB       THR  37   1.714  -2.825 -15.554
  248    HG1  THR  37           HG1      THR  37   3.022  -1.171 -14.742
  249   1HG2  THR  37          1HG2      THR  37  -0.245  -2.945 -14.387
  250   2HG2  THR  37          2HG2      THR  37   0.606  -3.840 -13.105
  251   3HG2  THR  37          3HG2      THR  37   0.496  -2.065 -13.029
  252    H    ASP  38           H        ASP  38   3.065  -5.575 -16.048
  253    HA   ASP  38           HA       ASP  38   4.454  -6.043 -17.646
  254   1HB   ASP  38          1HB       ASP  38   5.215  -3.142 -17.191
  255   2HB   ASP  38          2HB       ASP  38   6.126  -4.105 -18.336
  256    HD2  ASP  38           HD2      ASP  38   3.041  -2.632 -17.816
  257    H    CYS  39           H        CYS  39   6.506  -7.120 -17.782
  258    HA   CYS  39           HA       CYS  39   8.627  -6.302 -16.031
  259   1HB   CYS  39          1HB       CYS  39   7.473  -9.070 -15.664
  260   2HB   CYS  39          2HB       CYS  39   8.833  -8.364 -14.814
  261    H    ASN  40           H        ASN  40  10.630  -7.656 -16.525
  262    HA   ASN  40           HA       ASN  40  10.408  -8.641 -19.257
  263   1HB   ASN  40          1HB       ASN  40  11.930  -6.762 -19.181
  264   2HB   ASN  40          2HB       ASN  40  12.685  -7.331 -17.706
  265   1HD2  ASN  40          1HD2      ASN  40  14.716  -7.705 -18.219
  266   2HD2  ASN  40          2HD2      ASN  40  15.293  -8.719 -19.499
  267    H    GLY  41           H        GLY  41   9.700 -10.762 -18.190
  268   1HA   GLY  41          1HA       GLY  41  11.543 -12.730 -18.195
  269   2HA   GLY  41          2HA       GLY  41  11.636 -12.145 -16.546
  270    H    LYS  42           H        LYS  42  10.809 -14.249 -15.830
  271    HA   LYS  42           HA       LYS  42   9.221 -15.609 -15.123
  272   1HB   LYS  42          1HB       LYS  42   7.732 -13.029 -15.404
  273   2HB   LYS  42          2HB       LYS  42   6.807 -14.486 -15.100
  274   1HG   LYS  42          1HG       LYS  42   9.153 -14.447 -13.372
  275   2HG   LYS  42          2HG       LYS  42   8.282 -12.935 -13.208
  276   1HD   LYS  42          1HD       LYS  42   7.005 -14.123 -11.715
  277   2HD   LYS  42          2HD       LYS  42   6.170 -14.666 -13.157
  278   1HE   LYS  42          1HE       LYS  42   8.241 -16.469 -13.105
  279   2HE   LYS  42          2HE       LYS  42   8.071 -16.155 -11.389
  280   1HZ   LYS  42          1HZ       LYS  42   6.211 -17.390 -11.376
  281   2HZ   LYS  42          2HZ       LYS  42   5.507 -16.498 -12.543
  282    H    LYS  43           H        LYS  43   8.801 -17.396 -16.293
  283    HA   LYS  43           HA       LYS  43   7.284 -17.007 -18.779
  284   1HB   LYS  43          1HB       LYS  43   9.729 -18.694 -18.255
  285   2HB   LYS  43          2HB       LYS  43   8.606 -19.105 -19.535
  286   1HG   LYS  43          1HG       LYS  43   9.713 -17.618 -20.846
  287   2HG   LYS  43          2HG       LYS  43   8.981 -16.347 -19.888
  288   1HD   LYS  43          1HD       LYS  43  11.349 -15.933 -19.832
  289   2HD   LYS  43          2HD       LYS  43  10.936 -16.569 -18.253
  290   1HE   LYS  43          1HE       LYS  43  12.019 -18.601 -18.622
  291   2HE   LYS  43          2HE       LYS  43  11.716 -18.579 -20.348
  292   1HZ   LYS  43          1HZ       LYS  43  14.094 -18.041 -19.407
  293   2HZ   LYS  43          2HZ       LYS  43  13.548 -17.243 -20.717
  Start of MODEL    3
    1   1H    GLY   1           H        GLY   1   2.362   2.021  -1.566
    2   1HA   GLY   1          1HA       GLY   1   2.336  -0.248   0.333
    3   2HA   GLY   1          2HA       GLY   1   2.673  -0.379  -1.382
    4    H    PHE   2           H        PHE   2   4.571   1.112  -2.191
    5    HA   PHE   2           HA       PHE   2   6.660   1.086  -0.128
    6   1HB   PHE   2          1HB       PHE   2   6.364  -0.219  -2.750
    7   2HB   PHE   2          2HB       PHE   2   7.736   0.870  -2.798
    8    HD1  PHE   2           HD1      PHE   2   6.291  -1.779  -0.596
    9    HD2  PHE   2           HD2      PHE   2   9.792   0.057  -2.140
   10    HE1  PHE   2           HE1      PHE   2   7.702  -3.508   0.551
   11    HE2  PHE   2           HE2      PHE   2  11.204  -1.672  -0.992
   12    HZ   PHE   2           HZ       PHE   2  10.143  -3.434   0.340
   13    H    GLY   3           H        GLY   3   4.905   3.329  -0.782
   14   1HA   GLY   3          1HA       GLY   3   6.588   5.438  -0.857
   15   2HA   GLY   3          2HA       GLY   3   6.376   5.072  -2.557
   16    H    CYS   4           H        CYS   4   3.722   4.230  -2.744
   17    HA   CYS   4           HA       CYS   4   2.390   6.705  -2.608
   18   1HB   CYS   4          1HB       CYS   4   1.194   3.969  -3.087
   19   2HB   CYS   4          2HB       CYS   4   0.476   5.517  -3.490
   20    HA   PRO   5           HA       PRO   5   0.327   7.178  -2.533
   21   1HB   PRO   5          1HB       PRO   5  -0.918   9.238  -1.239
   22   2HB   PRO   5          2HB       PRO   5  -1.750   7.779  -1.742
   23   1HG   PRO   5          1HG       PRO   5  -0.899   8.585   0.973
   24   2HG   PRO   5          2HG       PRO   5  -2.077   7.375   0.506
   25   1HD   PRO   5          1HD       PRO   5   0.598   6.901   1.423
   26   2HD   PRO   5          2HD       PRO   5  -0.540   5.700   0.848
   27    H    GLY   6           H        GLY   6   0.940   9.182  -3.563
   28   1HA   GLY   6          1HA       GLY   6   2.292  10.984  -3.807
   29   2HA   GLY   6          2HA       GLY   6   2.692  10.922  -2.102
   30    H    ASN   7           H        ASN   7   3.136   8.727  -4.977
   31    HA   ASN   7           HA       ASN   7   5.792   9.023  -5.251
   32   1HB   ASN   7          1HB       ASN   7   5.241   7.618  -2.789
   33   2HB   ASN   7          2HB       ASN   7   5.915   6.449  -3.907
   34   1HD2  ASN   7          1HD2      ASN   7   6.958   7.799  -1.462
   35   2HD2  ASN   7          2HD2      ASN   7   8.487   8.484  -1.900
   36    H    GLN   8           H        GLN   8   4.656   8.633  -7.367
   37    HA   GLN   8           HA       GLN   8   3.746   5.928  -7.774
   38   1HB   GLN   8          1HB       GLN   8   2.764   8.283  -8.687
   39   2HB   GLN   8          2HB       GLN   8   3.835   7.910 -10.024
   40   1HG   GLN   8          1HG       GLN   8   2.712   5.493  -9.855
   41   2HG   GLN   8          2HG       GLN   8   1.433   6.362  -9.030
   42   1HE2  GLN   8          1HE2      GLN   8   0.259   7.961 -10.095
   43   2HE2  GLN   8          2HE2      GLN   8   0.194   8.083 -11.822
   44    H    LEU   9           H        LEU   9   6.593   7.876  -8.159
   45    HA   LEU   9           HA       LEU   9   7.637   6.277 -10.332
   46   1HB   LEU   9          1HB       LEU   9   9.323   7.824 -10.491
   47   2HB   LEU   9          2HB       LEU   9   7.952   8.791  -9.986
   48    HG   LEU   9           HG       LEU   9   9.542   7.801  -7.727
   49   1HD1  LEU   9          1HD1      LEU   9  10.948   9.958  -9.228
   50   2HD1  LEU   9          2HD1      LEU   9  11.584   8.725  -8.111
   51   3HD1  LEU   9          3HD1      LEU   9  11.168   8.280  -9.784
   52   1HD2  LEU   9          1HD2      LEU   9   8.660  10.569  -8.595
   53   2HD2  LEU   9          2HD2      LEU   9   7.788   9.476  -7.492
   54   3HD2  LEU   9          3HD2      LEU   9   9.369  10.143  -7.019
   55    H    LYS  10           H        LYS  10   7.595   6.363  -6.821
   56    HA   LYS  10           HA       LYS  10   9.983   4.869  -6.465
   57   1HB   LYS  10          1HB       LYS  10   8.333   6.359  -4.849
   58   2HB   LYS  10          2HB       LYS  10   7.929   4.728  -4.355
   59   1HG   LYS  10          1HG       LYS  10  10.439   4.263  -4.145
   60   2HG   LYS  10          2HG       LYS  10  10.716   5.970  -4.427
   61   1HD   LYS  10          1HD       LYS  10   9.024   6.354  -2.454
   62   2HD   LYS  10          2HD       LYS  10   9.297   4.664  -2.080
   63   1HE   LYS  10          1HE       LYS  10  11.525   5.005  -1.461
   64   2HE   LYS  10          2HE       LYS  10  11.733   6.373  -2.535
   65   1HZ   LYS  10          1HZ       LYS  10  11.272   6.566   0.130
   66   2HZ   LYS  10          2HZ       LYS  10  11.041   7.783  -0.926
   67    H    CYS  11           H        CYS  11   6.716   4.134  -7.454
   68    HA   CYS  11           HA       CYS  11   6.808   1.419  -6.581
   69   1HB   CYS  11          1HB       CYS  11   4.943   2.868  -8.470
   70   2HB   CYS  11          2HB       CYS  11   4.750   1.197  -7.980
   71    H    ASN  12           H        ASN  12   7.500   3.342  -9.532
   72    HA   ASN  12           HA       ASN  12   7.795   1.087 -11.188
   73   1HB   ASN  12          1HB       ASN  12   7.304   3.305 -12.144
   74   2HB   ASN  12          2HB       ASN  12   8.759   3.982 -11.439
   75   1HD2  ASN  12          1HD2      ASN  12   9.185   4.634 -13.644
   76   2HD2  ASN  12          2HD2      ASN  12   9.973   3.548 -14.739
   77    H    ASN  13           H        ASN  13   9.909   3.142  -9.134
   78    HA   ASN  13           HA       ASN  13  12.321   2.129 -10.138
   79   1HB   ASN  13          1HB       ASN  13  11.684   3.415  -7.429
   80   2HB   ASN  13          2HB       ASN  13  13.301   3.183  -8.064
   81   1HD2  ASN  13          1HD2      ASN  13  12.294   5.655  -7.341
   82   2HD2  ASN  13          2HD2      ASN  13  12.136   6.670  -8.736
   83    H    HIS  14           H        HIS  14  10.030   1.265  -7.516
   84    HA   HIS  14           HA       HIS  14  11.785  -0.593  -6.276
   85   1HB   HIS  14          1HB       HIS  14  10.240   0.230  -4.793
   86   2HB   HIS  14          2HB       HIS  14   8.943   0.265  -5.971
   87    HD1  HIS  14           HD1      HIS  14  10.719  -2.062  -3.579
   88    HD2  HIS  14           HD2      HIS  14   7.408  -2.084  -6.154
   89    HE1  HIS  14           HE1      HIS  14   9.403  -4.180  -3.034
   90    H    CYS  15           H        CYS  15   9.352  -0.660  -8.876
   91    HA   CYS  15           HA       CYS  15   9.150  -3.487  -8.912
   92   1HB   CYS  15          1HB       CYS  15   8.351  -1.337 -10.875
   93   2HB   CYS  15          2HB       CYS  15   8.106  -3.043 -11.188
   94    H    LYS  16           H        LYS  16  11.248  -0.981 -10.325
   95    HA   LYS  16           HA       LYS  16  12.404  -2.779 -12.243
   96   1HB   LYS  16          1HB       LYS  16  13.296  -0.926 -13.163
   97   2HB   LYS  16          2HB       LYS  16  12.100  -0.099 -12.186
   98   1HG   LYS  16          1HG       LYS  16  13.985  -0.177 -10.311
   99   2HG   LYS  16          2HG       LYS  16  15.065  -0.432 -11.666
  100   1HD   LYS  16          1HD       LYS  16  13.106   1.771 -12.075
  101   2HD   LYS  16          2HD       LYS  16  14.226   2.046 -10.755
  102   1HE   LYS  16          1HE       LYS  16  15.640   0.956 -13.075
  103   2HE   LYS  16          2HE       LYS  16  14.732   2.383 -13.532
  104   1HZ   LYS  16          1HZ       LYS  16  15.908   3.688 -12.007
  105   2HZ   LYS  16          2HZ       LYS  16  16.387   2.431 -11.089
  106    H    SER  17           H        SER  17  12.876  -1.856  -8.883
  107    HA   SER  17           HA       SER  17  15.585  -2.715  -8.837
  108   1HB   SER  17          1HB       SER  17  13.567  -1.790  -6.791
  109   2HB   SER  17          2HB       SER  17  15.012  -2.611  -6.234
  110    HG   SER  17           HG       SER  17  15.951  -0.864  -7.969
  111    H    ILE  18           H        ILE  18  12.347  -4.074  -8.185
  112    HA   ILE  18           HA       ILE  18  13.388  -6.430  -6.932
  113    HB   ILE  18           HB       ILE  18  11.090  -7.159  -6.898
  114   1HG1  ILE  18          1HG1      ILE  18  10.605  -4.832  -8.768
  115   2HG1  ILE  18          2HG1      ILE  18  10.279  -6.531  -9.049
  116   1HG2  ILE  18          1HG2      ILE  18  10.341  -4.541  -6.102
  117   2HG2  ILE  18          2HG2      ILE  18  10.896  -5.895  -5.090
  118   3HG2  ILE  18          3HG2      ILE  18  12.074  -4.733  -5.747
  119   1HD1  ILE  18          1HD1      ILE  18   8.148  -5.751  -8.477
  120   2HD1  ILE  18          2HD1      ILE  18   8.741  -6.305  -6.892
  121   3HD1  ILE  18          3HD1      ILE  18   8.783  -4.574  -7.303
  122    H    SER  19           H        SER  19  11.714  -5.724 -10.082
  123    HA   SER  19           HA       SER  19  13.258  -6.752 -11.843
  124   1HB   SER  19          1HB       SER  19  12.332  -9.048 -10.146
  125   2HB   SER  19          2HB       SER  19  12.375  -9.317 -11.877
  126    HG   SER  19           HG       SER  19  14.543  -9.236 -11.890
  127    H    CYS  20           H        CYS  20  11.443  -5.114 -12.408
  128    HA   CYS  20           HA       CYS  20   9.458  -6.566 -13.909
  129   1HB   CYS  20          1HB       CYS  20   8.803  -5.134 -11.442
  130   2HB   CYS  20          2HB       CYS  20   7.891  -4.561 -12.824
  131    H    ARG  21           H        ARG  21   7.965  -4.461 -14.888
  132    HA   ARG  21           HA       ARG  21  10.023  -2.953 -16.212
  133   1HB   ARG  21          1HB       ARG  21   7.046  -3.377 -16.714
  134   2HB   ARG  21          2HB       ARG  21   7.950  -2.174 -17.610
  135   1HG   ARG  21          1HG       ARG  21   9.617  -4.369 -17.847
  136   2HG   ARG  21          2HG       ARG  21   8.047  -5.145 -17.802
  137   1HD   ARG  21          1HD       ARG  21   8.132  -4.707 -20.075
  138   2HD   ARG  21          2HD       ARG  21   7.431  -3.187 -19.557
  139    HE   ARG  21           HE       ARG  21  10.324  -3.070 -19.442
  140   1HH1  ARG  21          2HH2      ARG  21   7.604  -2.920 -21.707
  141   2HH1  ARG  21          1HH2      ARG  21   8.468  -1.980 -22.877
  142   1HH2  ARG  21          HH1       ARG  21  10.737  -1.350 -22.432
  143    H    ALA  22           H        ALA  22   6.744  -2.276 -14.759
  144    HA   ALA  22           HA       ALA  22   7.690  -0.147 -13.185
  145   1HB   ALA  22          1HB       ALA  22   7.086   1.754 -14.390
  146   2HB   ALA  22          2HB       ALA  22   7.745   0.716 -15.678
  147   3HB   ALA  22          3HB       ALA  22   5.984   0.854 -15.459
  148    H    GLY  23           H        GLY  23   6.040   0.593 -11.755
  149   1HA   GLY  23          1HA       GLY  23   3.483  -0.874 -12.038
  150   2HA   GLY  23          2HA       GLY  23   4.309  -0.618 -10.514
  151    H    TYR  24           H        TYR  24   1.900   0.274 -10.239
  152    HA   TYR  24           HA       TYR  24   2.172   3.153 -10.329
  153   1HB   TYR  24          1HB       TYR  24  -0.029   3.352 -11.508
  154   2HB   TYR  24          2HB       TYR  24   1.076   2.427 -12.506
  155    HD1  TYR  24           HD1      TYR  24  -1.549   1.900  -9.875
  156    HD2  TYR  24           HD2      TYR  24   0.347   0.408 -13.408
  157    HE1  TYR  24           HE1      TYR  24  -3.232  -0.003  -9.983
  158    HE2  TYR  24           HE2      TYR  24  -1.342  -1.489 -13.504
  159    HH   TYR  24           HH       TYR  24  -4.077  -1.529 -12.274
  160    H    CYS  25           H        CYS  25   0.261   4.208  -9.134
  161    HA   CYS  25           HA       CYS  25  -0.234   2.580  -6.798
  162   1HB   CYS  25          1HB       CYS  25  -0.962   5.479  -7.233
  163   2HB   CYS  25          2HB       CYS  25  -0.892   4.611  -5.712
  164    H    ASP  26           H        ASP  26  -2.084   1.355  -6.741
  165    HA   ASP  26           HA       ASP  26  -3.969   1.157  -8.541
  166   1HB   ASP  26          1HB       ASP  26  -3.687   0.440  -5.808
  167   2HB   ASP  26          2HB       ASP  26  -5.270   1.182  -5.914
  168    HD2  ASP  26           HD2      ASP  26  -6.500  -1.495  -6.143
  169    H    ALA  27           H        ALA  27  -4.813   3.020  -9.587
  170    HA   ALA  27           HA       ALA  27  -5.493   5.380  -8.237
  171   1HB   ALA  27          1HB       ALA  27  -5.019   5.548 -10.541
  172   2HB   ALA  27          2HB       ALA  27  -6.101   4.197 -10.957
  173   3HB   ALA  27          3HB       ALA  27  -6.784   5.763 -10.457
  174    H    ALA  28           H        ALA  28  -6.951   2.293  -8.224
  175    HA   ALA  28           HA       ALA  28  -9.629   3.379  -7.821
  176   1HB   ALA  28          1HB       ALA  28  -9.159   1.381  -9.318
  177   2HB   ALA  28          2HB       ALA  28  -8.711   0.480  -7.850
  178   3HB   ALA  28          3HB       ALA  28 -10.368   1.102  -8.043
  179    H    THR  29           H        THR  29  -6.862   3.084  -6.041
  180    HA   THR  29           HA       THR  29  -8.406   2.564  -3.591
  181    HB   THR  29           HB       THR  29  -6.654   0.746  -4.574
  182    HG1  THR  29           HG1      THR  29  -6.733   1.768  -1.822
  183   1HG2  THR  29          1HG2      THR  29  -4.901   2.869  -4.073
  184   2HG2  THR  29          2HG2      THR  29  -4.834   1.938  -2.559
  185   3HG2  THR  29          3HG2      THR  29  -4.440   1.151  -4.105
  186    H    LEU  30           H        LEU  30  -7.634   5.054  -5.161
  187    HA   LEU  30           HA       LEU  30  -7.040   7.117  -4.646
  188   1HB   LEU  30          1HB       LEU  30  -6.649   6.190  -1.802
  189   2HB   LEU  30          2HB       LEU  30  -6.892   7.833  -2.359
  190    HG   LEU  30           HG       LEU  30  -8.934   5.597  -2.508
  191   1HD1  LEU  30          1HD1      LEU  30  -9.965   7.595  -0.909
  192   2HD1  LEU  30          2HD1      LEU  30  -9.252   6.063  -0.350
  193   3HD1  LEU  30          3HD1      LEU  30  -8.252   7.534  -0.427
  194   1HD2  LEU  30          1HD2      LEU  30  -8.890   8.376  -3.601
  195   2HD2  LEU  30          2HD2      LEU  30  -9.600   6.888  -4.270
  196   3HD2  LEU  30          3HD2      LEU  30 -10.419   7.745  -2.944
  197    H    TRP  31           H        TRP  31  -5.155   5.280  -5.740
  198    HA   TRP  31           HA       TRP  31  -2.967   4.864  -5.945
  199   1HB   TRP  31          1HB       TRP  31  -2.946   7.841  -5.428
  200   2HB   TRP  31          2HB       TRP  31  -1.586   6.937  -6.065
  201    HD1  TRP  31           HD1      TRP  31  -1.544   6.653  -8.680
  202    HE1  TRP  31           HE1      TRP  31  -3.152   7.107 -10.724
  203    HE3  TRP  31           HE3      TRP  31  -5.636   7.792  -5.885
  204    HZ2  TRP  31           HZ2      TRP  31  -5.892   7.875 -10.937
  205    HZ3  TRP  31           HZ3      TRP  31  -7.737   8.383  -7.089
  206    HH2  TRP  31           HH2      TRP  31  -7.906   8.435  -9.527
  207    H    LEU  32           H        LEU  32  -3.110   3.535  -3.882
  208    HA   LEU  32           HA       LEU  32  -1.389   4.767  -1.848
  209   1HB   LEU  32          1HB       LEU  32  -3.396   4.758  -0.739
  210   2HB   LEU  32          2HB       LEU  32  -3.977   3.318  -1.550
  211    HG   LEU  32           HG       LEU  32  -2.657   1.883  -0.175
  212   1HD1  LEU  32          1HD1      LEU  32  -1.449   3.869   1.598
  213   2HD1  LEU  32          2HD1      LEU  32  -0.744   2.423   0.836
  214   3HD1  LEU  32          3HD1      LEU  32  -0.835   3.952  -0.071
  215   1HD2  LEU  32          1HD2      LEU  32  -4.103   4.051   1.341
  216   2HD2  LEU  32          2HD2      LEU  32  -4.651   2.407   0.930
  217   3HD2  LEU  32          3HD2      LEU  32  -3.389   2.642   2.162
  218    H    ARG  33           H        ARG  33  -2.569   1.770  -3.472
  219    HA   ARG  33           HA       ARG  33  -0.519   0.214  -2.333
  220   1HB   ARG  33          1HB       ARG  33  -2.898  -0.256  -3.784
  221   2HB   ARG  33          2HB       ARG  33  -1.636  -0.829  -4.856
  222   1HG   ARG  33          1HG       ARG  33  -1.005  -1.716  -2.176
  223   2HG   ARG  33          2HG       ARG  33  -2.683  -2.106  -2.495
  224   1HD   ARG  33          1HD       ARG  33  -1.794  -3.025  -4.803
  225   2HD   ARG  33          2HD       ARG  33  -0.221  -3.001  -4.033
  226    HE   ARG  33           HE       ARG  33  -0.844  -4.894  -2.827
  227   1HH1  ARG  33          2HH2      ARG  33  -3.793  -3.201  -3.823
  228   2HH1  ARG  33          1HH2      ARG  33  -4.853  -4.415  -3.187
  229   1HH2  ARG  33          HH1       ARG  33  -3.919  -6.343  -2.113
  230    H    CYS  34           H        CYS  34   0.803  -1.227  -4.168
  231    HA   CYS  34           HA       CYS  34   1.817   0.608  -6.187
  232   1HB   CYS  34          1HB       CYS  34   3.307  -0.383  -3.838
  233   2HB   CYS  34          2HB       CYS  34   4.134  -0.569  -5.371
  234    H    THR  35           H        THR  35   0.654  -0.780  -7.686
  235    HA   THR  35           HA       THR  35   1.324  -3.604  -7.688
  236    HB   THR  35           HB       THR  35  -0.889  -1.973  -8.452
  237    HG1  THR  35           HG1      THR  35  -1.554  -4.276  -9.091
  238   1HG2  THR  35          1HG2      THR  35   0.413  -3.452 -10.799
  239   2HG2  THR  35          2HG2      THR  35  -1.276  -2.892 -10.772
  240   3HG2  THR  35          3HG2      THR  35   0.053  -1.710 -10.728
  241    H    CYS  36           H        CYS  36   2.734  -4.633  -9.003
  242    HA   CYS  36           HA       CYS  36   4.366  -2.889 -10.650
  243   1HB   CYS  36          1HB       CYS  36   4.737  -5.682  -9.578
  244   2HB   CYS  36          2HB       CYS  36   5.776  -5.026 -10.827
  245    H    THR  37           H        THR  37   3.817  -2.702 -12.792
  246    HA   THR  37           HA       THR  37   2.435  -4.994 -14.024
  247    HB   THR  37           HB       THR  37   1.342  -3.309 -15.449
  248    HG1  THR  37           HG1      THR  37   2.863  -1.395 -13.845
  249   1HG2  THR  37          1HG2      THR  37   0.671  -1.573 -13.456
  250   2HG2  THR  37          2HG2      THR  37  -0.028  -3.206 -13.566
  251   3HG2  THR  37          3HG2      THR  37   1.340  -2.895 -12.469
  252    H    ASP  38           H        ASP  38   3.098  -5.778 -16.024
  253    HA   ASP  38           HA       ASP  38   4.491  -6.266 -17.611
  254   1HB   ASP  38          1HB       ASP  38   5.079  -3.325 -17.271
  255   2HB   ASP  38          2HB       ASP  38   6.165  -4.261 -18.277
  256    HD2  ASP  38           HD2      ASP  38   5.281  -3.830 -20.592
  257    H    CYS  39           H        CYS  39   6.422  -7.478 -17.533
  258    HA   CYS  39           HA       CYS  39   8.598  -6.502 -15.906
  259   1HB   CYS  39          1HB       CYS  39   7.440  -9.237 -15.356
  260   2HB   CYS  39          2HB       CYS  39   8.802  -8.478 -14.557
  261    H    ASN  40           H        ASN  40  10.625  -7.638 -16.465
  262    HA   ASN  40           HA       ASN  40  10.441  -8.715 -19.129
  263   1HB   ASN  40          1HB       ASN  40  12.545  -7.433 -17.431
  264   2HB   ASN  40          2HB       ASN  40  13.141  -8.698 -18.488
  265   1HD2  ASN  40          1HD2      ASN  40  13.708  -8.130 -20.437
  266   2HD2  ASN  40          2HD2      ASN  40  13.161  -6.754 -21.335
  267    H    GLY  41           H        GLY  41   9.393 -10.763 -18.141
  268   1HA   GLY  41          1HA       GLY  41  11.297 -12.841 -17.926
  269   2HA   GLY  41          2HA       GLY  41  10.687 -12.439 -16.333
  270    H    LYS  42           H        LYS  42   9.159 -12.542 -19.637
  271    HA   LYS  42           HA       LYS  42   7.289 -13.476 -20.352
  272   1HB   LYS  42          1HB       LYS  42   8.426 -15.597 -18.560
  273   2HB   LYS  42          2HB       LYS  42   6.838 -15.841 -19.260
  274   1HG   LYS  42          1HG       LYS  42   9.113 -14.926 -21.039
  275   2HG   LYS  42          2HG       LYS  42   9.018 -16.613 -20.575
  276   1HD   LYS  42          1HD       LYS  42   6.554 -16.544 -21.383
  277   2HD   LYS  42          2HD       LYS  42   6.936 -14.991 -22.099
  278   1HE   LYS  42          1HE       LYS  42   8.961 -17.031 -22.760
  279   2HE   LYS  42          2HE       LYS  42   7.357 -17.512 -23.275
  280   1HZ   LYS  42          1HZ       LYS  42   8.192 -16.216 -25.033
  281   2HZ   LYS  42          2HZ       LYS  42   7.220 -15.164 -24.258
  282    H    LYS  43           H        LYS  43   6.251 -11.541 -19.296
  283    HA   LYS  43           HA       LYS  43   4.696 -10.602 -18.035
  284   1HB   LYS  43          1HB       LYS  43   3.649 -12.987 -19.080
  285   2HB   LYS  43          2HB       LYS  43   3.115 -12.961 -17.412
  286   1HG   LYS  43          1HG       LYS  43   1.858 -11.014 -17.687
  287   2HG   LYS  43          2HG       LYS  43   2.905 -10.380 -18.942
  288   1HD   LYS  43          1HD       LYS  43   1.938 -12.627 -20.201
  289   2HD   LYS  43          2HD       LYS  43   0.575 -12.236 -19.172
  290   1HE   LYS  43          1HE       LYS  43   0.176 -10.182 -20.229
  291   2HE   LYS  43          2HE       LYS  43   1.851  -9.973 -20.700
  292   1HZ   LYS  43          1HZ       LYS  43   0.708 -12.283 -21.938
  293   2HZ   LYS  43          2HZ       LYS  43  -0.152 -10.949 -22.303
  Start of MODEL    4
    1   1H    GLY   1           H        GLY   1   4.846   0.145   3.347
    2   1HA   GLY   1          1HA       GLY   1   4.380   1.984   2.144
    3   2HA   GLY   1          2HA       GLY   1   5.582   2.827   3.101
    4    H    PHE   2           H        PHE   2   4.863   1.275   0.037
    5    HA   PHE   2           HA       PHE   2   7.540   1.133  -0.886
    6   1HB   PHE   2          1HB       PHE   2   4.725   1.137  -2.102
    7   2HB   PHE   2          2HB       PHE   2   6.137   1.028  -3.135
    8    HD1  PHE   2           HD1      PHE   2   7.891  -0.850  -2.269
    9    HD2  PHE   2           HD2      PHE   2   3.707  -0.850  -1.557
   10    HE1  PHE   2           HE1      PHE   2   7.948  -3.337  -1.928
   11    HE2  PHE   2           HE2      PHE   2   3.765  -3.336  -1.217
   12    HZ   PHE   2           HZ       PHE   2   5.884  -4.550  -1.406
   13    H    GLY   3           H        GLY   3   5.296   3.730  -0.410
   14   1HA   GLY   3          1HA       GLY   3   6.731   5.859  -0.803
   15   2HA   GLY   3          2HA       GLY   3   6.550   5.390  -2.482
   16    H    CYS   4           H        CYS   4   3.897   4.326  -2.464
   17    HA   CYS   4           HA       CYS   4   2.456   6.777  -2.504
   18   1HB   CYS   4          1HB       CYS   4   1.516   3.938  -2.969
   19   2HB   CYS   4          2HB       CYS   4   0.578   5.384  -3.283
   20    HA   PRO   5           HA       PRO   5   0.388   7.167  -2.446
   21   1HB   PRO   5          1HB       PRO   5  -0.950   9.202  -1.205
   22   2HB   PRO   5          2HB       PRO   5  -1.717   7.700  -1.682
   23   1HG   PRO   5          1HG       PRO   5  -0.921   8.597   1.020
   24   2HG   PRO   5          2HG       PRO   5  -2.045   7.330   0.571
   25   1HD   PRO   5          1HD       PRO   5   0.640   6.986   1.517
   26   2HD   PRO   5          2HD       PRO   5  -0.444   5.727   0.959
   27    H    GLY   6           H        GLY   6   0.991   9.105  -3.551
   28   1HA   GLY   6          1HA       GLY   6   2.226  11.010  -3.776
   29   2HA   GLY   6          2HA       GLY   6   2.681  10.936  -2.086
   30    H    ASN   7           H        ASN   7   3.120   8.896  -5.074
   31    HA   ASN   7           HA       ASN   7   5.703   9.226  -5.483
   32   1HB   ASN   7          1HB       ASN   7   5.356   7.797  -2.945
   33   2HB   ASN   7          2HB       ASN   7   6.216   6.785  -4.089
   34   1HD2  ASN   7          1HD2      ASN   7   7.548   7.520  -1.932
   35   2HD2  ASN   7          2HD2      ASN   7   8.749   8.725  -2.258
   36    H    GLN   8           H        GLN   8   4.480   8.643  -7.493
   37    HA   GLN   8           HA       GLN   8   3.673   5.886  -7.684
   38   1HB   GLN   8          1HB       GLN   8   2.242   7.723  -8.609
   39   2HB   GLN   8          2HB       GLN   8   3.516   8.137  -9.737
   40   1HG   GLN   8          1HG       GLN   8   3.117   5.320 -10.004
   41   2HG   GLN   8          2HG       GLN   8   1.516   6.029  -9.935
   42   1HE2  GLN   8          1HE2      GLN   8   4.592   5.978 -11.599
   43   2HE2  GLN   8          2HE2      GLN   8   4.082   6.710 -13.084
   44    H    LEU   9           H        LEU   9   6.473   7.802  -8.188
   45    HA   LEU   9           HA       LEU   9   7.456   6.169 -10.374
   46   1HB   LEU   9          1HB       LEU   9   9.123   7.732 -10.635
   47   2HB   LEU   9          2HB       LEU   9   7.742   8.694 -10.145
   48    HG   LEU   9           HG       LEU   9   9.441   7.818  -7.901
   49   1HD1  LEU   9          1HD1      LEU   9  10.970   8.330 -10.004
   50   2HD1  LEU   9          2HD1      LEU   9  10.648  10.015  -9.526
   51   3HD1  LEU   9          3HD1      LEU   9  11.402   8.890  -8.370
   52   1HD2  LEU   9          1HD2      LEU   9   9.271  10.491  -7.694
   53   2HD2  LEU   9          2HD2      LEU   9   7.873  10.190  -8.752
   54   3HD2  LEU   9          3HD2      LEU   9   7.980   9.382  -7.170
   55    H    LYS  10           H        LYS  10   7.535   6.386  -6.868
   56    HA   LYS  10           HA       LYS  10   9.957   4.935  -6.547
   57   1HB   LYS  10          1HB       LYS  10   8.101   6.340  -4.906
   58   2HB   LYS  10          2HB       LYS  10   8.222   4.712  -4.271
   59   1HG   LYS  10          1HG       LYS  10  10.868   5.194  -4.748
   60   2HG   LYS  10          2HG       LYS  10  10.328   6.838  -4.471
   61   1HD   LYS  10          1HD       LYS  10   9.408   6.232  -2.277
   62   2HD   LYS  10          2HD       LYS  10   9.717   4.531  -2.565
   63   1HE   LYS  10          1HE       LYS  10  11.996   4.726  -2.164
   64   2HE   LYS  10          2HE       LYS  10  12.088   6.348  -2.821
   65   1HZ   LYS  10          1HZ       LYS  10  10.582   5.970  -0.330
   66   2HZ   LYS  10          2HZ       LYS  10  12.208   5.950  -0.242
   67    H    CYS  11           H        CYS  11   6.650   4.130  -7.352
   68    HA   CYS  11           HA       CYS  11   6.799   1.458  -6.378
   69   1HB   CYS  11          1HB       CYS  11   4.867   2.818  -8.265
   70   2HB   CYS  11          2HB       CYS  11   4.705   1.160  -7.716
   71    H    ASN  12           H        ASN  12   7.301   3.230  -9.472
   72    HA   ASN  12           HA       ASN  12   7.602   0.902 -11.007
   73   1HB   ASN  12          1HB       ASN  12   7.051   2.953 -12.162
   74   2HB   ASN  12          2HB       ASN  12   8.364   3.829 -11.401
   75   1HD2  ASN  12          1HD2      ASN  12   8.910   4.444 -13.571
   76   2HD2  ASN  12          2HD2      ASN  12   9.876   3.409 -14.569
   77    H    ASN  13           H        ASN  13   9.750   3.084  -9.131
   78    HA   ASN  13           HA       ASN  13  12.150   2.134 -10.180
   79   1HB   ASN  13          1HB       ASN  13  11.554   3.357  -7.432
   80   2HB   ASN  13          2HB       ASN  13  13.156   3.195  -8.123
   81   1HD2  ASN  13          1HD2      ASN  13  11.732   5.577  -7.310
   82   2HD2  ASN  13          2HD2      ASN  13  11.612   6.621  -8.687
   83    H    HIS  14           H        HIS  14  10.047   1.242  -7.385
   84    HA   HIS  14           HA       HIS  14  11.880  -0.608  -6.288
   85   1HB   HIS  14          1HB       HIS  14  10.425   0.096  -4.689
   86   2HB   HIS  14          2HB       HIS  14   9.082   0.252  -5.804
   87    HD1  HIS  14           HD1      HIS  14  10.882  -2.306  -3.671
   88    HD2  HIS  14           HD2      HIS  14   7.422  -1.999  -6.022
   89    HE1  HIS  14           HE1      HIS  14   9.500  -4.395  -3.185
   90    H    CYS  15           H        CYS  15   9.285  -0.725  -8.733
   91    HA   CYS  15           HA       CYS  15   9.137  -3.547  -8.785
   92   1HB   CYS  15          1HB       CYS  15   8.253  -1.416 -10.736
   93   2HB   CYS  15          2HB       CYS  15   7.985  -3.128 -10.999
   94    H    LYS  16           H        LYS  16  11.207  -1.040 -10.198
   95    HA   LYS  16           HA       LYS  16  12.279  -2.791 -12.210
   96   1HB   LYS  16          1HB       LYS  16  13.102  -0.913 -13.120
   97   2HB   LYS  16          2HB       LYS  16  12.025  -0.088 -12.011
   98   1HG   LYS  16          1HG       LYS  16  14.057  -0.323 -10.308
   99   2HG   LYS  16          2HG       LYS  16  15.008  -0.549 -11.761
  100   1HD   LYS  16          1HD       LYS  16  13.134   1.722 -11.995
  101   2HD   LYS  16          2HD       LYS  16  14.243   1.915 -10.652
  102   1HE   LYS  16          1HE       LYS  16  16.160   1.384 -12.245
  103   2HE   LYS  16          2HE       LYS  16  15.004   1.382 -13.563
  104   1HZ   LYS  16          1HZ       LYS  16  14.495   3.685 -13.106
  105   2HZ   LYS  16          2HZ       LYS  16  15.409   3.706 -11.758
  106    H    SER  17           H        SER  17  12.897  -1.917  -8.850
  107    HA   SER  17           HA       SER  17  15.584  -2.825  -8.912
  108   1HB   SER  17          1HB       SER  17  13.660  -1.810  -6.851
  109   2HB   SER  17          2HB       SER  17  14.965  -2.823  -6.262
  110    HG   SER  17           HG       SER  17  16.226  -1.111  -6.405
  111    H    ILE  18           H        ILE  18  12.354  -4.171  -8.205
  112    HA   ILE  18           HA       ILE  18  13.405  -6.565  -7.035
  113    HB   ILE  18           HB       ILE  18  11.100  -7.275  -6.960
  114   1HG1  ILE  18          1HG1      ILE  18  10.593  -4.896  -8.756
  115   2HG1  ILE  18          2HG1      ILE  18  10.236  -6.582  -9.069
  116   1HG2  ILE  18          1HG2      ILE  18  12.176  -4.998  -5.699
  117   2HG2  ILE  18          2HG2      ILE  18  10.495  -4.589  -6.119
  118   3HG2  ILE  18          3HG2      ILE  18  10.841  -6.036  -5.141
  119   1HD1  ILE  18          1HD1      ILE  18   8.135  -5.739  -8.428
  120   2HD1  ILE  18          2HD1      ILE  18   8.742  -6.422  -6.900
  121   3HD1  ILE  18          3HD1      ILE  18   8.834  -4.668  -7.190
  122    H    SER  19           H        SER  19  11.677  -5.752 -10.128
  123    HA   SER  19           HA       SER  19  13.187  -6.790 -11.931
  124   1HB   SER  19          1HB       SER  19  13.698  -8.898 -11.088
  125   2HB   SER  19          2HB       SER  19  12.143  -9.085 -10.300
  126    HG   SER  19           HG       SER  19  12.926  -9.750 -12.919
  127    H    CYS  20           H        CYS  20  11.449  -5.045 -12.431
  128    HA   CYS  20           HA       CYS  20   9.399  -6.349 -13.978
  129   1HB   CYS  20          1HB       CYS  20   8.809  -4.873 -11.489
  130   2HB   CYS  20          2HB       CYS  20   7.857  -4.391 -12.880
  131    H    ARG  21           H        ARG  21   8.117  -4.392 -15.167
  132    HA   ARG  21           HA       ARG  21  10.223  -2.792 -16.252
  133   1HB   ARG  21          1HB       ARG  21   7.337  -3.363 -16.997
  134   2HB   ARG  21          2HB       ARG  21   8.156  -2.002 -17.735
  135   1HG   ARG  21          1HG       ARG  21   9.789  -4.475 -17.742
  136   2HG   ARG  21          2HG       ARG  21   8.280  -4.650 -18.617
  137   1HD   ARG  21          1HD       ARG  21   9.095  -2.183 -19.534
  138   2HD   ARG  21          2HD       ARG  21  10.649  -2.938 -19.246
  139    HE   ARG  21           HE       ARG  21   9.079  -4.858 -20.606
  140   1HH1  ARG  21          2HH2      ARG  21  10.400  -1.636 -21.262
  141   2HH1  ARG  21          1HH2      ARG  21  10.509  -1.893 -22.972
  142   1HH2  ARG  21          HH1       ARG  21   9.811  -3.995 -23.889
  143    H    ALA  22           H        ALA  22   6.847  -2.191 -15.007
  144    HA   ALA  22           HA       ALA  22   7.666  -0.027 -13.396
  145   1HB   ALA  22          1HB       ALA  22   7.949   1.119 -15.543
  146   2HB   ALA  22          2HB       ALA  22   6.301   0.653 -16.033
  147   3HB   ALA  22          3HB       ALA  22   6.540   1.785 -14.681
  148    H    GLY  23           H        GLY  23   5.981   0.580 -11.976
  149   1HA   GLY  23          1HA       GLY  23   3.472  -0.941 -12.359
  150   2HA   GLY  23          2HA       GLY  23   4.249  -0.687 -10.809
  151    H    TYR  24           H        TYR  24   2.298   0.334  -9.989
  152    HA   TYR  24           HA       TYR  24   2.342   3.128 -10.208
  153   1HB   TYR  24          1HB       TYR  24   0.146   3.370 -11.401
  154   2HB   TYR  24          2HB       TYR  24   1.282   2.522 -12.432
  155    HD1  TYR  24           HD1      TYR  24   0.590   0.560 -13.472
  156    HD2  TYR  24           HD2      TYR  24  -1.367   1.792  -9.874
  157    HE1  TYR  24           HE1      TYR  24  -1.066  -1.355 -13.709
  158    HE2  TYR  24           HE2      TYR  24  -3.017  -0.127 -10.123
  159    HH   TYR  24           HH       TYR  24  -2.843  -2.503 -11.326
  160    H    CYS  25           H        CYS  25   0.383   4.117  -9.014
  161    HA   CYS  25           HA       CYS  25  -0.138   2.382  -6.758
  162   1HB   CYS  25          1HB       CYS  25  -0.866   5.296  -7.062
  163   2HB   CYS  25          2HB       CYS  25  -0.811   4.356  -5.584
  164    H    ASP  26           H        ASP  26  -2.043   1.244  -6.644
  165    HA   ASP  26           HA       ASP  26  -3.878   1.035  -8.502
  166   1HB   ASP  26          1HB       ASP  26  -3.692   0.398  -5.732
  167   2HB   ASP  26          2HB       ASP  26  -5.268   1.137  -5.930
  168    HD2  ASP  26           HD2      ASP  26  -6.633  -0.021  -7.685
  169    H    ALA  27           H        ALA  27  -4.651   2.891  -9.613
  170    HA   ALA  27           HA       ALA  27  -5.338   5.287  -8.318
  171   1HB   ALA  27          1HB       ALA  27  -6.514   5.669 -10.600
  172   2HB   ALA  27          2HB       ALA  27  -4.751   5.422 -10.599
  173   3HB   ALA  27          3HB       ALA  27  -5.837   4.086 -11.052
  174    H    ALA  28           H        ALA  28  -6.836   2.229  -8.306
  175    HA   ALA  28           HA       ALA  28  -9.512   3.369  -8.044
  176   1HB   ALA  28          1HB       ALA  28  -9.121   0.450  -7.756
  177   2HB   ALA  28          2HB       ALA  28 -10.262   1.357  -8.779
  178   3HB   ALA  28          3HB       ALA  28  -8.583   1.115  -9.317
  179    H    THR  29           H        THR  29  -6.860   3.111  -6.140
  180    HA   THR  29           HA       THR  29  -8.506   2.584  -3.763
  181    HB   THR  29           HB       THR  29  -6.729   0.745  -4.663
  182    HG1  THR  29           HG1      THR  29  -7.115   0.069  -2.563
  183   1HG2  THR  29          1HG2      THR  29  -5.000   1.929  -2.562
  184   2HG2  THR  29          2HG2      THR  29  -4.537   1.122  -4.080
  185   3HG2  THR  29          3HG2      THR  29  -4.978   2.847  -4.087
  186    H    LEU  30           H        LEU  30  -7.579   5.048  -5.335
  187    HA   LEU  30           HA       LEU  30  -7.003   7.110  -4.792
  188   1HB   LEU  30          1HB       LEU  30  -6.674   6.275  -1.919
  189   2HB   LEU  30          2HB       LEU  30  -7.043   7.866  -2.555
  190    HG   LEU  30           HG       LEU  30  -8.910   5.489  -2.764
  191   1HD1  LEU  30          1HD1      LEU  30 -10.144   7.091  -0.995
  192   2HD1  LEU  30          2HD1      LEU  30  -9.056   5.764  -0.523
  193   3HD1  LEU  30          3HD1      LEU  30  -8.451   7.437  -0.571
  194   1HD2  LEU  30          1HD2      LEU  30 -10.188   8.061  -2.866
  195   2HD2  LEU  30          2HD2      LEU  30  -8.896   7.983  -4.088
  196   3HD2  LEU  30          3HD2      LEU  30 -10.181   6.751  -4.071
  197    H    TRP  31           H        TRP  31  -5.099   5.221  -5.780
  198    HA   TRP  31           HA       TRP  31  -2.910   4.768  -5.876
  199   1HB   TRP  31          1HB       TRP  31  -2.868   7.756  -5.424
  200   2HB   TRP  31          2HB       TRP  31  -1.496   6.821  -5.981
  201    HD1  TRP  31           HD1      TRP  31  -1.352   6.460  -8.586
  202    HE1  TRP  31           HE1      TRP  31  -2.860   6.896 -10.706
  203    HE3  TRP  31           HE3      TRP  31  -5.530   7.757  -5.996
  204    HZ2  TRP  31           HZ2      TRP  31  -5.571   7.716 -11.055
  205    HZ3  TRP  31           HZ3      TRP  31  -7.566   8.362  -7.302
  206    HH2  TRP  31           HH2      TRP  31  -7.631   8.356  -9.746
  207    H    LEU  32           H        LEU  32  -3.227   3.514  -3.760
  208    HA   LEU  32           HA       LEU  32  -1.588   4.777  -1.674
  209   1HB   LEU  32          1HB       LEU  32  -3.661   4.737  -0.687
  210   2HB   LEU  32          2HB       LEU  32  -4.157   3.268  -1.504
  211    HG   LEU  32           HG       LEU  32  -3.019   1.881  -0.002
  212   1HD1  LEU  32          1HD1      LEU  32  -0.951   2.348   0.648
  213   2HD1  LEU  32          2HD1      LEU  32  -1.140   4.044   0.141
  214   3HD1  LEU  32          3HD1      LEU  32  -1.600   3.550   1.788
  215   1HD2  LEU  32          1HD2      LEU  32  -3.638   2.813   2.306
  216   2HD2  LEU  32          2HD2      LEU  32  -4.251   4.233   1.425
  217   3HD2  LEU  32          3HD2      LEU  32  -4.940   2.624   1.107
  218    H    ARG  33           H        ARG  33  -2.566   1.788  -3.420
  219    HA   ARG  33           HA       ARG  33  -0.546   0.280  -2.129
  220   1HB   ARG  33          1HB       ARG  33  -2.866  -0.295  -3.608
  221   2HB   ARG  33          2HB       ARG  33  -1.580  -0.808  -4.680
  222   1HG   ARG  33          1HG       ARG  33  -1.172  -2.648  -3.418
  223   2HG   ARG  33          2HG       ARG  33  -0.955  -1.674  -1.978
  224   1HD   ARG  33          1HD       ARG  33  -3.653  -1.537  -2.114
  225   2HD   ARG  33          2HD       ARG  33  -3.444  -3.040  -2.990
  226    HE   ARG  33           HE       ARG  33  -1.836  -3.148  -0.625
  227   1HH1  ARG  33          2HH2      ARG  33  -5.250  -3.166  -1.572
  228   2HH1  ARG  33          1HH2      ARG  33  -5.759  -4.068  -0.185
  229   1HH2  ARG  33          HH1       ARG  33  -4.128  -4.747   1.437
  230    H    CYS  34           H        CYS  34   0.930  -1.126  -3.821
  231    HA   CYS  34           HA       CYS  34   1.970   0.721  -5.829
  232   1HB   CYS  34          1HB       CYS  34   3.335  -0.215  -3.418
  233   2HB   CYS  34          2HB       CYS  34   4.226  -0.574  -4.883
  234    H    THR  35           H        THR  35   0.828  -0.643  -7.378
  235    HA   THR  35           HA       THR  35   1.483  -3.464  -7.421
  236    HB   THR  35           HB       THR  35  -0.693  -1.833  -8.203
  237    HG1  THR  35           HG1      THR  35  -0.942  -4.021  -7.610
  238   1HG2  THR  35          1HG2      THR  35   0.651  -3.166 -10.614
  239   2HG2  THR  35          2HG2      THR  35  -0.984  -2.461 -10.594
  240   3HG2  THR  35          3HG2      THR  35   0.441  -1.410 -10.407
  241    H    CYS  36           H        CYS  36   2.290  -4.516  -9.422
  242    HA   CYS  36           HA       CYS  36   4.230  -2.754 -10.734
  243   1HB   CYS  36          1HB       CYS  36   4.588  -5.609  -9.809
  244   2HB   CYS  36          2HB       CYS  36   5.679  -4.808 -10.923
  245    H    THR  37           H        THR  37   4.039  -2.723 -12.961
  246    HA   THR  37           HA       THR  37   2.486  -4.910 -14.183
  247    HB   THR  37           HB       THR  37   1.863  -2.899 -15.812
  248    HG1  THR  37           HG1      THR  37   1.906  -0.908 -14.447
  249   1HG2  THR  37          1HG2      THR  37   0.516  -4.050 -13.662
  250   2HG2  THR  37          2HG2      THR  37   0.582  -2.335 -13.189
  251   3HG2  THR  37          3HG2      THR  37  -0.169  -2.805 -14.732
  252    H    ASP  38           H        ASP  38   3.166  -5.709 -16.174
  253    HA   ASP  38           HA       ASP  38   4.584  -6.245 -17.721
  254   1HB   ASP  38          1HB       ASP  38   5.302  -3.319 -17.385
  255   2HB   ASP  38          2HB       ASP  38   6.268  -4.319 -18.454
  256    HD2  ASP  38           HD2      ASP  38   5.457  -4.778 -20.363
  257    H    CYS  39           H        CYS  39   6.307  -7.650 -17.338
  258    HA   CYS  39           HA       CYS  39   8.574  -6.635 -15.837
  259   1HB   CYS  39          1HB       CYS  39   7.257  -9.251 -15.091
  260   2HB   CYS  39          2HB       CYS  39   8.660  -8.517 -14.342
  261    H    ASN  40           H        ASN  40  10.538  -7.906 -16.299
  262    HA   ASN  40           HA       ASN  40  10.188  -9.483 -18.724
  263   1HB   ASN  40          1HB       ASN  40  12.496  -7.762 -17.705
  264   2HB   ASN  40          2HB       ASN  40  12.732  -8.930 -18.990
  265   1HD2  ASN  40          1HD2      ASN  40  13.030  -7.694 -20.714
  266   2HD2  ASN  40          2HD2      ASN  40  11.919  -6.521 -21.339
  267    H    GLY  41           H        GLY  41   9.746 -11.394 -17.267
  268   1HA   GLY  41          1HA       GLY  41  11.994 -12.992 -16.825
  269   2HA   GLY  41          2HA       GLY  41  11.565 -12.255 -15.294
  270    H    LYS  42           H        LYS  42  11.056 -14.939 -17.241
  271    HA   LYS  42           HA       LYS  42   8.278 -15.314 -16.502
  272   1HB   LYS  42          1HB       LYS  42   8.342 -17.231 -17.938
  273   2HB   LYS  42          2HB       LYS  42   9.113 -15.897 -18.772
  274   1HG   LYS  42          1HG       LYS  42  11.363 -16.782 -17.979
  275   2HG   LYS  42          2HG       LYS  42  10.532 -18.175 -17.316
  276   1HD   LYS  42          1HD       LYS  42   9.815 -18.924 -19.487
  277   2HD   LYS  42          2HD       LYS  42  10.194 -17.385 -20.235
  278   1HE   LYS  42          1HE       LYS  42  12.443 -17.870 -20.424
  279   2HE   LYS  42          2HE       LYS  42  12.504 -18.700 -18.882
  280   1HZ   LYS  42          1HZ       LYS  42  12.650 -20.044 -21.112
  281   2HZ   LYS  42          2HZ       LYS  42  11.843 -20.680 -19.848
  282    H    LYS  43           H        LYS  43   7.578 -16.476 -14.771
  283    HA   LYS  43           HA       LYS  43   9.543 -18.203 -13.458
  284   1HB   LYS  43          1HB       LYS  43   8.982 -15.725 -12.469
  285   2HB   LYS  43          2HB       LYS  43   7.752 -16.676 -11.662
  286   1HG   LYS  43          1HG       LYS  43   9.807 -18.354 -11.234
  287   2HG   LYS  43          2HG       LYS  43  10.755 -16.898 -11.464
  288   1HD   LYS  43          1HD       LYS  43  10.029 -15.942  -9.496
  289   2HD   LYS  43          2HD       LYS  43   8.398 -16.560  -9.672
  290   1HE   LYS  43          1HE       LYS  43  10.579 -18.568  -9.137
  291   2HE   LYS  43          2HE       LYS  43  10.114 -17.521  -7.812
  292   1HZ   LYS  43          1HZ       LYS  43   8.524 -19.575  -9.148
  293   2HZ   LYS  43          2HZ       LYS  43   8.553 -19.164  -7.573
  Start of MODEL    5
    1   1H    GLY   1           H        GLY   1   3.187  -1.006  -1.809
    2   1HA   GLY   1          1HA       GLY   1   2.403   1.367  -2.229
    3   2HA   GLY   1          2HA       GLY   1   2.708   1.609  -0.521
    4    H    PHE   2           H        PHE   2   4.985   1.015   0.288
    5    HA   PHE   2           HA       PHE   2   7.160   1.357   0.218
    6   1HB   PHE   2          1HB       PHE   2   6.432   0.059  -2.398
    7   2HB   PHE   2          2HB       PHE   2   8.001   0.837  -2.396
    8    HD1  PHE   2           HD1      PHE   2   6.127  -2.043  -1.383
    9    HD2  PHE   2           HD2      PHE   2   9.694   0.134  -0.641
   10    HE1  PHE   2           HE1      PHE   2   7.125  -4.058  -0.266
   11    HE2  PHE   2           HE2      PHE   2  10.691  -1.880   0.477
   12    HZ   PHE   2           HZ       PHE   2   9.395  -3.952   0.650
   13    H    GLY   3           H        GLY   3   5.358   3.607  -0.402
   14   1HA   GLY   3          1HA       GLY   3   6.964   5.680  -0.794
   15   2HA   GLY   3          2HA       GLY   3   6.758   5.138  -2.448
   16    H    CYS   4           H        CYS   4   4.078   4.209  -2.429
   17    HA   CYS   4           HA       CYS   4   2.737   6.722  -2.511
   18   1HB   CYS   4          1HB       CYS   4   2.289   4.003  -3.491
   19   2HB   CYS   4          2HB       CYS   4   0.821   4.762  -2.908
   20    HA   PRO   5           HA       PRO   5   0.466   6.814  -2.628
   21   1HB   PRO   5          1HB       PRO   5  -1.169   8.743  -1.594
   22   2HB   PRO   5          2HB       PRO   5  -1.718   7.121  -1.966
   23   1HG   PRO   5          1HG       PRO   5  -1.145   8.324   0.674
   24   2HG   PRO   5          2HG       PRO   5  -2.078   6.888   0.301
   25   1HD   PRO   5          1HD       PRO   5   0.592   6.976   1.342
   26   2HD   PRO   5          2HD       PRO   5  -0.298   5.546   0.861
   27    H    GLY   6           H        GLY   6   0.735   8.820  -3.822
   28   1HA   GLY   6          1HA       GLY   6   1.754  10.817  -4.183
   29   2HA   GLY   6          2HA       GLY   6   2.156  10.929  -2.480
   30    H    ASN   7           H        ASN   7   2.935   8.385  -4.956
   31    HA   ASN   7           HA       ASN   7   5.494   9.152  -5.448
   32   1HB   ASN   7          1HB       ASN   7   5.439   8.422  -2.798
   33   2HB   ASN   7          2HB       ASN   7   5.766   6.861  -3.523
   34   1HD2  ASN   7          1HD2      ASN   7   7.670   7.650  -1.990
   35   2HD2  ASN   7          2HD2      ASN   7   9.049   8.285  -2.825
   36    H    GLN   8           H        GLN   8   4.435   8.247  -7.435
   37    HA   GLN   8           HA       GLN   8   3.985   5.402  -7.395
   38   1HB   GLN   8          1HB       GLN   8   2.363   6.929  -8.521
   39   2HB   GLN   8          2HB       GLN   8   3.615   7.443  -9.633
   40   1HG   GLN   8          1HG       GLN   8   3.656   4.599  -9.725
   41   2HG   GLN   8          2HG       GLN   8   1.959   5.035  -9.713
   42   1HE2  GLN   8          1HE2      GLN   8   1.087   6.298 -11.349
   43   2HE2  GLN   8          2HE2      GLN   8   1.862   6.527 -12.881
   44    H    LEU   9           H        LEU   9   6.363   7.798  -8.434
   45    HA   LEU   9           HA       LEU   9   7.659   6.177 -10.350
   46   1HB   LEU   9          1HB       LEU   9   9.282   7.853 -10.426
   47   2HB   LEU   9          2HB       LEU   9   7.758   8.671 -10.147
   48    HG   LEU   9           HG       LEU   9   9.247   8.013  -7.685
   49   1HD1  LEU   9          1HD1      LEU   9  10.769  10.043  -8.076
   50   2HD1  LEU   9          2HD1      LEU   9  11.215   8.503  -8.847
   51   3HD1  LEU   9          3HD1      LEU   9  10.444   9.788  -9.807
   52   1HD2  LEU   9          1HD2      LEU   9   8.448  10.787  -8.354
   53   2HD2  LEU   9          2HD2      LEU   9   7.136   9.587  -8.269
   54   3HD2  LEU   9          3HD2      LEU   9   8.203   9.839  -6.867
   55    H    LYS  10           H        LYS  10   7.669   6.357  -6.825
   56    HA   LYS  10           HA       LYS  10  10.164   5.035  -6.503
   57   1HB   LYS  10          1HB       LYS  10   8.373   6.429  -4.877
   58   2HB   LYS  10          2HB       LYS  10   8.293   4.784  -4.278
   59   1HG   LYS  10          1HG       LYS  10  10.979   4.957  -4.539
   60   2HG   LYS  10          2HG       LYS  10  10.642   6.667  -4.359
   61   1HD   LYS  10          1HD       LYS  10   9.182   5.929  -2.293
   62   2HD   LYS  10          2HD       LYS  10  10.068   4.422  -2.397
   63   1HE   LYS  10          1HE       LYS  10  12.231   5.822  -2.356
   64   2HE   LYS  10          2HE       LYS  10  11.232   7.210  -1.972
   65   1HZ   LYS  10          1HZ       LYS  10  12.145   5.984   0.004
   66   2HZ   LYS  10          2HZ       LYS  10  10.527   6.162   0.047
   67    H    CYS  11           H        CYS  11   6.852   4.065  -7.200
   68    HA   CYS  11           HA       CYS  11   7.243   1.377  -6.319
   69   1HB   CYS  11          1HB       CYS  11   5.069   2.492  -8.099
   70   2HB   CYS  11          2HB       CYS  11   5.055   0.952  -7.263
   71    H    ASN  12           H        ASN  12   7.540   3.322  -9.304
   72    HA   ASN  12           HA       ASN  12   7.704   1.127 -11.035
   73   1HB   ASN  12          1HB       ASN  12   8.816   3.967 -11.344
   74   2HB   ASN  12          2HB       ASN  12   8.622   2.821 -12.656
   75   1HD2  ASN  12          1HD2      ASN  12   7.285   4.381 -13.664
   76   2HD2  ASN  12          2HD2      ASN  12   5.619   4.568 -13.229
   77    H    ASN  13           H        ASN  13  10.035   3.146  -9.171
   78    HA   ASN  13           HA       ASN  13  12.320   2.068 -10.388
   79   1HB   ASN  13          1HB       ASN  13  12.098   3.309  -7.599
   80   2HB   ASN  13          2HB       ASN  13  13.544   3.217  -8.584
   81   1HD2  ASN  13          1HD2      ASN  13  11.979   5.477  -7.425
   82   2HD2  ASN  13          2HD2      ASN  13  11.656   6.564  -8.734
   83    H    HIS  14           H        HIS  14  10.298   1.322  -7.511
   84    HA   HIS  14           HA       HIS  14  12.113  -0.549  -6.408
   85   1HB   HIS  14          1HB       HIS  14  10.654   0.421  -4.875
   86   2HB   HIS  14          2HB       HIS  14   9.256   0.234  -5.915
   87    HD1  HIS  14           HD1      HIS  14  11.156  -1.444  -3.213
   88    HD2  HIS  14           HD2      HIS  14   8.213  -2.485  -6.016
   89    HE1  HIS  14           HE1      HIS  14  10.167  -3.659  -2.423
   90    H    CYS  15           H        CYS  15   9.582  -0.617  -8.882
   91    HA   CYS  15           HA       CYS  15   9.343  -3.462  -8.823
   92   1HB   CYS  15          1HB       CYS  15   8.331  -1.335 -10.710
   93   2HB   CYS  15          2HB       CYS  15   8.083  -3.046 -10.996
   94    H    LYS  16           H        LYS  16  11.298  -0.958 -10.413
   95    HA   LYS  16           HA       LYS  16  12.267  -2.746 -12.445
   96   1HB   LYS  16          1HB       LYS  16  13.017  -0.882 -13.446
   97   2HB   LYS  16          2HB       LYS  16  11.988  -0.046 -12.302
   98   1HG   LYS  16          1HG       LYS  16  14.069  -0.136 -10.695
   99   2HG   LYS  16          2HG       LYS  16  14.987  -0.505 -12.142
  100   1HD   LYS  16          1HD       LYS  16  13.206   1.733 -12.682
  101   2HD   LYS  16          2HD       LYS  16  14.124   2.065 -11.227
  102   1HE   LYS  16          1HE       LYS  16  16.023   0.949 -13.001
  103   2HE   LYS  16          2HE       LYS  16  15.037   1.979 -14.021
  104   1HZ   LYS  16          1HZ       LYS  16  15.439   3.813 -12.463
  105   2HZ   LYS  16          2HZ       LYS  16  16.335   2.857 -11.495
  106    H    SER  17           H        SER  17  13.005  -1.914  -9.127
  107    HA   SER  17           HA       SER  17  15.713  -2.816  -9.367
  108   1HB   SER  17          1HB       SER  17  14.462  -1.055  -7.674
  109   2HB   SER  17          2HB       SER  17  14.487  -2.487  -6.666
  110    HG   SER  17           HG       SER  17  16.912  -1.957  -8.002
  111    H    ILE  18           H        ILE  18  12.516  -3.984  -8.276
  112    HA   ILE  18           HA       ILE  18  13.550  -6.312  -7.000
  113    HB   ILE  18           HB       ILE  18  11.203  -6.977  -6.876
  114   1HG1  ILE  18          1HG1      ILE  18   9.567  -5.064  -7.680
  115   2HG1  ILE  18          2HG1      ILE  18  10.847  -4.730  -8.830
  116   1HG2  ILE  18          1HG2      ILE  18  12.318  -4.480  -5.857
  117   2HG2  ILE  18          2HG2      ILE  18  10.540  -4.468  -5.914
  118   3HG2  ILE  18          3HG2      ILE  18  11.393  -5.752  -5.024
  119   1HD1  ILE  18          1HD1      ILE  18   8.952  -6.980  -8.748
  120   2HD1  ILE  18          2HD1      ILE  18   9.938  -6.378 -10.103
  121   3HD1  ILE  18          3HD1      ILE  18  10.639  -7.519  -8.930
  122    H    SER  19           H        SER  19  11.821  -5.679 -10.132
  123    HA   SER  19           HA       SER  19  13.241  -6.920 -11.860
  124   1HB   SER  19          1HB       SER  19  12.174  -9.039 -10.023
  125   2HB   SER  19          2HB       SER  19  12.152  -9.404 -11.737
  126    HG   SER  19           HG       SER  19  14.406  -8.841 -10.042
  127    H    CYS  20           H        CYS  20  11.517  -5.153 -12.420
  128    HA   CYS  20           HA       CYS  20   9.472  -6.482 -13.921
  129   1HB   CYS  20          1HB       CYS  20   8.841  -5.118 -11.401
  130   2HB   CYS  20          2HB       CYS  20   7.921  -4.521 -12.768
  131    H    ARG  21           H        ARG  21   8.039  -4.360 -14.870
  132    HA   ARG  21           HA       ARG  21  10.129  -2.792 -16.066
  133   1HB   ARG  21          1HB       ARG  21   7.219  -3.355 -16.705
  134   2HB   ARG  21          2HB       ARG  21   7.985  -1.953 -17.425
  135   1HG   ARG  21          1HG       ARG  21   9.732  -4.291 -17.644
  136   2HG   ARG  21          2HG       ARG  21   8.153  -4.646 -18.316
  137   1HD   ARG  21          1HD       ARG  21   8.407  -3.155 -20.061
  138   2HD   ARG  21          2HD       ARG  21   9.238  -1.971 -19.073
  139    HE   ARG  21           HE       ARG  21  11.068  -4.055 -19.263
  140   1HH1  ARG  21          2HH2      ARG  21   9.303  -2.100 -21.633
  141   2HH1  ARG  21          1HH2      ARG  21  10.532  -2.235 -22.845
  142   1HH2  ARG  21          HH1       ARG  21  12.515  -3.494 -22.370
  143    H    ALA  22           H        ALA  22   6.805  -2.205 -14.680
  144    HA   ALA  22           HA       ALA  22   7.663  -0.136 -12.997
  145   1HB   ALA  22          1HB       ALA  22   8.026   1.108 -15.075
  146   2HB   ALA  22          2HB       ALA  22   6.373   0.729 -15.616
  147   3HB   ALA  22          3HB       ALA  22   6.628   1.781 -14.203
  148    H    GLY  23           H        GLY  23   5.960   0.509 -11.597
  149   1HA   GLY  23          1HA       GLY  23   3.403  -0.897 -12.093
  150   2HA   GLY  23          2HA       GLY  23   4.165  -0.775 -10.520
  151    H    TYR  24           H        TYR  24   1.619   0.117 -10.592
  152    HA   TYR  24           HA       TYR  24   1.978   3.009 -10.370
  153   1HB   TYR  24          1HB       TYR  24  -0.183   3.280 -11.602
  154   2HB   TYR  24          2HB       TYR  24   0.943   2.395 -12.611
  155    HD1  TYR  24           HD1      TYR  24   0.219   0.438 -13.640
  156    HD2  TYR  24           HD2      TYR  24  -1.751   1.754 -10.078
  157    HE1  TYR  24           HE1      TYR  24  -1.478  -1.441 -13.876
  158    HE2  TYR  24           HE2      TYR  24  -3.441  -0.129 -10.326
  159    HH   TYR  24           HH       TYR  24  -4.348  -1.515 -12.057
  160    H    CYS  25           H        CYS  25   0.525   4.023  -8.861
  161    HA   CYS  25           HA       CYS  25  -0.236   2.244  -6.770
  162   1HB   CYS  25          1HB       CYS  25  -0.788   5.207  -6.978
  163   2HB   CYS  25          2HB       CYS  25  -0.800   4.222  -5.530
  164    H    ASP  26           H        ASP  26  -2.200   1.213  -6.648
  165    HA   ASP  26           HA       ASP  26  -4.070   1.096  -8.445
  166   1HB   ASP  26          1HB       ASP  26  -3.913   0.545  -5.653
  167   2HB   ASP  26          2HB       ASP  26  -5.437   1.383  -5.875
  168    HD2  ASP  26           HD2      ASP  26  -6.647  -1.121  -5.651
  169    H    ALA  27           H        ALA  27  -4.959   2.826  -9.611
  170    HA   ALA  27           HA       ALA  27  -5.410   5.357  -8.393
  171   1HB   ALA  27          1HB       ALA  27  -6.604   5.675 -10.709
  172   2HB   ALA  27          2HB       ALA  27  -4.838   5.463 -10.658
  173   3HB   ALA  27          3HB       ALA  27  -5.887   4.091 -11.092
  174    H    ALA  28           H        ALA  28  -6.984   2.449  -8.019
  175    HA   ALA  28           HA       ALA  28  -9.613   3.748  -7.827
  176   1HB   ALA  28          1HB       ALA  28 -10.034   1.964  -9.210
  177   2HB   ALA  28          2HB       ALA  28  -8.667   1.014  -8.581
  178   3HB   ALA  28          3HB       ALA  28 -10.180   1.118  -7.651
  179    H    THR  29           H        THR  29  -6.967   3.318  -5.999
  180    HA   THR  29           HA       THR  29  -8.573   2.756  -3.601
  181    HB   THR  29           HB       THR  29  -6.859   0.907  -4.607
  182    HG1  THR  29           HG1      THR  29  -7.003   1.837  -1.825
  183   1HG2  THR  29          1HG2      THR  29  -4.919   2.627  -4.352
  184   2HG2  THR  29          2HG2      THR  29  -5.159   2.452  -2.597
  185   3HG2  THR  29          3HG2      THR  29  -4.686   1.043  -3.576
  186    H    LEU  30           H        LEU  30  -7.444   5.202  -5.198
  187    HA   LEU  30           HA       LEU  30  -6.934   7.259  -4.512
  188   1HB   LEU  30          1HB       LEU  30  -6.291   6.256  -1.750
  189   2HB   LEU  30          2HB       LEU  30  -6.738   7.875  -2.249
  190    HG   LEU  30           HG       LEU  30  -8.567   5.457  -2.246
  191   1HD1  LEU  30          1HD1      LEU  30  -8.563   7.882  -0.427
  192   2HD1  LEU  30          2HD1      LEU  30  -9.688   6.504  -0.371
  193   3HD1  LEU  30          3HD1      LEU  30  -7.967   6.262   0.009
  194   1HD2  LEU  30          1HD2      LEU  30  -9.796   6.585  -3.716
  195   2HD2  LEU  30          2HD2      LEU  30 -10.112   7.767  -2.424
  196   3HD2  LEU  30          3HD2      LEU  30  -8.777   8.036  -3.570
  197    H    TRP  31           H        TRP  31  -5.122   4.978  -5.453
  198    HA   TRP  31           HA       TRP  31  -2.984   4.666  -5.933
  199   1HB   TRP  31          1HB       TRP  31  -2.906   7.630  -5.379
  200   2HB   TRP  31          2HB       TRP  31  -1.512   6.735  -5.951
  201    HD1  TRP  31           HD1      TRP  31  -1.428   6.211  -8.558
  202    HE1  TRP  31           HE1      TRP  31  -2.919   6.729 -10.674
  203    HE3  TRP  31           HE3      TRP  31  -5.468   7.875  -5.957
  204    HZ2  TRP  31           HZ2      TRP  31  -5.560   7.753 -11.014
  205    HZ3  TRP  31           HZ3      TRP  31  -7.462   8.616  -7.257
  206    HH2  TRP  31           HH2      TRP  31  -7.550   8.574  -9.700
  207    H    LEU  32           H        LEU  32  -3.823   3.847  -3.373
  208    HA   LEU  32           HA       LEU  32  -1.731   4.756  -1.559
  209   1HB   LEU  32          1HB       LEU  32  -3.754   4.795  -0.467
  210   2HB   LEU  32          2HB       LEU  32  -4.354   3.358  -1.270
  211    HG   LEU  32           HG       LEU  32  -3.136   1.908   0.138
  212   1HD1  LEU  32          1HD1      LEU  32  -1.706   3.739   1.862
  213   2HD1  LEU  32          2HD1      LEU  32  -1.114   2.329   0.952
  214   3HD1  LEU  32          3HD1      LEU  32  -1.196   3.924   0.166
  215   1HD2  LEU  32          1HD2      LEU  32  -3.897   2.474   2.365
  216   2HD2  LEU  32          2HD2      LEU  32  -4.076   4.184   1.904
  217   3HD2  LEU  32          3HD2      LEU  32  -5.125   2.949   1.168
  218    H    ARG  33           H        ARG  33  -2.779   1.998  -3.540
  219    HA   ARG  33           HA       ARG  33  -0.840   0.299  -2.303
  220   1HB   ARG  33          1HB       ARG  33  -3.216  -0.265  -3.452
  221   2HB   ARG  33          2HB       ARG  33  -2.228  -0.418  -4.891
  222   1HG   ARG  33          1HG       ARG  33  -1.239  -2.358  -4.168
  223   2HG   ARG  33          2HG       ARG  33  -1.065  -1.777  -2.524
  224   1HD   ARG  33          1HD       ARG  33  -3.750  -2.055  -2.521
  225   2HD   ARG  33          2HD       ARG  33  -3.396  -3.206  -3.794
  226    HE   ARG  33           HE       ARG  33  -2.618  -4.664  -2.155
  227   1HH1  ARG  33          2HH2      ARG  33  -2.273  -1.358  -0.930
  228   2HH1  ARG  33          1HH2      ARG  33  -1.679  -1.860   0.618
  229   1HH2  ARG  33          HH1       ARG  33  -1.431  -4.200   1.076
  230    H    CYS  34           H        CYS  34   0.276  -1.159  -4.386
  231    HA   CYS  34           HA       CYS  34   1.291   0.630  -6.380
  232   1HB   CYS  34          1HB       CYS  34   2.901  -0.095  -3.993
  233   2HB   CYS  34          2HB       CYS  34   3.707  -0.213  -5.545
  234    H    THR  35           H        THR  35   0.498  -0.856  -7.924
  235    HA   THR  35           HA       THR  35   1.342  -3.645  -7.639
  236    HB   THR  35           HB       THR  35  -1.075  -2.435  -8.341
  237    HG1  THR  35           HG1      THR  35   0.094  -4.990  -9.195
  238   1HG2  THR  35          1HG2      THR  35   0.232  -3.612 -10.849
  239   2HG2  THR  35          2HG2      THR  35  -1.451  -3.054 -10.696
  240   3HG2  THR  35          3HG2      THR  35  -0.114  -1.881 -10.627
  241    H    CYS  36           H        CYS  36   2.907  -4.566  -8.829
  242    HA   CYS  36           HA       CYS  36   4.369  -2.814 -10.577
  243   1HB   CYS  36          1HB       CYS  36   4.854  -5.632  -9.604
  244   2HB   CYS  36          2HB       CYS  36   5.894  -4.828 -10.765
  245    H    THR  37           H        THR  37   3.875  -2.663 -12.737
  246    HA   THR  37           HA       THR  37   2.520  -4.976 -13.961
  247    HB   THR  37           HB       THR  37   1.329  -3.359 -15.327
  248    HG1  THR  37           HG1      THR  37   3.017  -1.383 -13.975
  249   1HG2  THR  37          1HG2      THR  37   1.148  -1.470 -13.165
  250   2HG2  THR  37          2HG2      THR  37  -0.016  -2.749 -13.586
  251   3HG2  THR  37          3HG2      THR  37   1.302  -3.088 -12.437
  252    H    ASP  38           H        ASP  38   3.159  -5.692 -16.015
  253    HA   ASP  38           HA       ASP  38   4.558  -6.150 -17.605
  254   1HB   ASP  38          1HB       ASP  38   5.270  -3.235 -17.163
  255   2HB   ASP  38          2HB       ASP  38   6.215  -4.188 -18.289
  256    HD2  ASP  38           HD2      ASP  38   3.809  -5.418 -19.853
  257    H    CYS  39           H        CYS  39   6.435  -7.426 -17.493
  258    HA   CYS  39           HA       CYS  39   8.638  -6.496 -15.870
  259   1HB   CYS  39          1HB       CYS  39   7.426  -9.212 -15.337
  260   2HB   CYS  39          2HB       CYS  39   8.800  -8.484 -14.531
  261    H    ASN  40           H        ASN  40  10.634  -7.751 -16.386
  262    HA   ASN  40           HA       ASN  40  10.404  -8.845 -19.057
  263   1HB   ASN  40          1HB       ASN  40  12.910  -8.557 -19.097
  264   2HB   ASN  40          2HB       ASN  40  12.073  -7.054 -18.761
  265   1HD2  ASN  40          1HD2      ASN  40  14.709  -8.627 -17.999
  266   2HD2  ASN  40          2HD2      ASN  40  14.938  -8.228 -16.329
  267    H    GLY  41           H        GLY  41   9.465 -10.906 -18.063
  268   1HA   GLY  41          1HA       GLY  41  10.003 -13.153 -17.886
  269   2HA   GLY  41          2HA       GLY  41  11.627 -12.746 -17.367
  270    H    LYS  42           H        LYS  42   8.163 -12.562 -16.319
  271    HA   LYS  42           HA       LYS  42   8.626 -13.769 -13.873
  272   1HB   LYS  42          1HB       LYS  42   9.773 -11.312 -13.750
  273   2HB   LYS  42          2HB       LYS  42   8.151 -10.913 -13.224
  274   1HG   LYS  42          1HG       LYS  42   8.407 -11.990 -11.228
  275   2HG   LYS  42          2HG       LYS  42   9.122 -13.403 -11.980
  276   1HD   LYS  42          1HD       LYS  42  11.172 -11.604 -12.302
  277   2HD   LYS  42          2HD       LYS  42  10.453 -10.984 -10.829
  278   1HE   LYS  42          1HE       LYS  42  10.758 -13.946 -10.878
  279   2HE   LYS  42          2HE       LYS  42  12.275 -13.069 -10.943
  280   1HZ   LYS  42          1HZ       LYS  42  10.250 -13.031  -8.810
  281   2HZ   LYS  42          2HZ       LYS  42  11.866 -13.184  -8.676
  282    H    LYS  43           H        LYS  43   6.656 -14.284 -12.903
  283    HA   LYS  43           HA       LYS  43   4.320 -12.782 -13.321
  284   1HB   LYS  43          1HB       LYS  43   5.023 -14.451 -15.518
  285   2HB   LYS  43          2HB       LYS  43   3.661 -15.206 -14.714
  286   1HG   LYS  43          1HG       LYS  43   2.221 -13.446 -15.177
  287   2HG   LYS  43          2HG       LYS  43   3.483 -12.236 -15.065
  288   1HD   LYS  43          1HD       LYS  43   3.331 -12.187 -17.349
  289   2HD   LYS  43          2HD       LYS  43   4.341 -13.617 -17.278
  290   1HE   LYS  43          1HE       LYS  43   2.543 -15.087 -17.666
  291   2HE   LYS  43          2HE       LYS  43   1.352 -13.972 -17.025
  292   1HZ   LYS  43          1HZ       LYS  43   1.767 -12.552 -19.012
  293   2HZ   LYS  43          2HZ       LYS  43   2.765 -13.686 -19.622
  Start of MODEL    6
    1   1H    GLY   1           H        GLY   1   2.249  -0.947  -0.950
    2   1HA   GLY   1          1HA       GLY   1   2.182   1.615  -2.428
    3   2HA   GLY   1          2HA       GLY   1   1.427   1.412  -0.859
    4    H    PHE   2           H        PHE   2   4.621   0.816  -2.498
    5    HA   PHE   2           HA       PHE   2   6.090   0.818  -0.117
    6   1HB   PHE   2          1HB       PHE   2   6.502   0.209  -2.755
    7   2HB   PHE   2          2HB       PHE   2   7.195   1.818  -2.764
    8    HD1  PHE   2           HD1      PHE   2   9.309   2.260  -1.736
    9    HD2  PHE   2           HD2      PHE   2   7.508  -1.563  -1.340
   10    HE1  PHE   2           HE1      PHE   2  11.467   1.335  -0.849
   11    HE2  PHE   2           HE2      PHE   2   9.667  -2.487  -0.453
   12    HZ   PHE   2           HZ       PHE   2  11.620  -1.028  -0.219
   13    H    GLY   3           H        GLY   3   5.310   3.412  -2.513
   14   1HA   GLY   3          1HA       GLY   3   6.435   5.368  -0.599
   15   2HA   GLY   3          2HA       GLY   3   6.465   5.553  -2.341
   16    H    CYS   4           H        CYS   4   3.725   4.410  -2.742
   17    HA   CYS   4           HA       CYS   4   2.306   6.802  -2.563
   18   1HB   CYS   4          1HB       CYS   4   1.160   4.028  -2.916
   19   2HB   CYS   4          2HB       CYS   4   0.407   5.545  -3.362
   20    HA   PRO   5           HA       PRO   5   0.221   7.203  -2.444
   21   1HB   PRO   5          1HB       PRO   5  -1.061   9.259  -1.179
   22   2HB   PRO   5          2HB       PRO   5  -1.852   7.755  -1.608
   23   1HG   PRO   5          1HG       PRO   5  -0.952   8.682   1.050
   24   2HG   PRO   5          2HG       PRO   5  -2.098   7.415   0.660
   25   1HD   PRO   5          1HD       PRO   5   0.620   7.069   1.510
   26   2HD   PRO   5          2HD       PRO   5  -0.490   5.809   1.009
   27    H    GLY   6           H        GLY   6   0.695   9.228  -3.534
   28   1HA   GLY   6          1HA       GLY   6   1.992  11.043  -3.899
   29   2HA   GLY   6          2HA       GLY   6   2.418  11.076  -2.200
   30    H    ASN   7           H        ASN   7   2.891   8.665  -4.890
   31    HA   ASN   7           HA       ASN   7   5.576   9.105  -5.173
   32   1HB   ASN   7          1HB       ASN   7   5.066   7.778  -2.718
   33   2HB   ASN   7          2HB       ASN   7   5.557   6.493  -3.803
   34   1HD2  ASN   7          1HD2      ASN   7   7.016   7.336  -1.576
   35   2HD2  ASN   7          2HD2      ASN   7   8.528   8.008  -2.086
   36    H    GLN   8           H        GLN   8   4.487   8.740  -7.321
   37    HA   GLN   8           HA       GLN   8   3.628   6.033  -7.801
   38   1HB   GLN   8          1HB       GLN   8   2.897   8.574  -8.819
   39   2HB   GLN   8          2HB       GLN   8   3.678   7.757 -10.159
   40   1HG   GLN   8          1HG       GLN   8   2.166   5.696  -9.395
   41   2HG   GLN   8          2HG       GLN   8   1.202   6.940  -8.624
   42   1HE2  GLN   8          1HE2      GLN   8   2.307   5.562 -11.601
   43   2HE2  GLN   8          2HE2      GLN   8   1.281   6.432 -12.691
   44    H    LEU   9           H        LEU   9   6.488   7.934  -7.967
   45    HA   LEU   9           HA       LEU   9   7.598   6.437 -10.191
   46   1HB   LEU   9          1HB       LEU   9   9.340   7.966 -10.187
   47   2HB   LEU   9          2HB       LEU   9   7.912   8.916  -9.828
   48    HG   LEU   9           HG       LEU   9   9.357   7.944  -7.444
   49   1HD1  LEU   9          1HD1      LEU   9  10.660  10.103  -9.112
   50   2HD1  LEU   9          2HD1      LEU   9  11.246   9.374  -7.597
   51   3HD1  LEU   9          3HD1      LEU   9  11.205   8.409  -9.093
   52   1HD2  LEU   9          1HD2      LEU   9   8.846  10.823  -7.887
   53   2HD2  LEU   9          2HD2      LEU   9   7.411   9.770  -7.898
   54   3HD2  LEU   9          3HD2      LEU   9   8.490   9.787  -6.484
   55    H    LYS  10           H        LYS  10   7.548   6.511  -6.653
   56    HA   LYS  10           HA       LYS  10   9.888   4.989  -6.268
   57   1HB   LYS  10          1HB       LYS  10   7.625   5.978  -4.644
   58   2HB   LYS  10          2HB       LYS  10   8.359   4.499  -4.057
   59   1HG   LYS  10          1HG       LYS  10  10.467   6.311  -4.885
   60   2HG   LYS  10          2HG       LYS  10   9.366   7.180  -3.835
   61   1HD   LYS  10          1HD       LYS  10   9.974   5.974  -1.986
   62   2HD   LYS  10          2HD       LYS  10   9.971   4.453  -2.856
   63   1HE   LYS  10          1HE       LYS  10  12.174   5.531  -3.996
   64   2HE   LYS  10          2HE       LYS  10  12.214   6.430  -2.492
   65   1HZ   LYS  10          1HZ       LYS  10  13.272   4.561  -1.777
   66   2HZ   LYS  10          2HZ       LYS  10  11.774   3.955  -1.579
   67    H    CYS  11           H        CYS  11   6.568   4.230  -7.206
   68    HA   CYS  11           HA       CYS  11   6.689   1.506  -6.478
   69   1HB   CYS  11          1HB       CYS  11   4.908   2.991  -8.419
   70   2HB   CYS  11          2HB       CYS  11   4.710   1.301  -8.002
   71    H    ASN  12           H        ASN  12   7.338   3.447  -9.455
   72    HA   ASN  12           HA       ASN  12   7.731   1.299 -11.144
   73   1HB   ASN  12          1HB       ASN  12   7.467   3.635 -11.944
   74   2HB   ASN  12          2HB       ASN  12   8.966   4.103 -11.167
   75   1HD2  ASN  12          1HD2      ASN  12   9.262   4.820 -13.471
   76   2HD2  ASN  12          2HD2      ASN  12  10.047   3.730 -14.563
   77    H    ASN  13           H        ASN  13  10.102   3.420  -9.355
   78    HA   ASN  13           HA       ASN  13  12.390   2.209 -10.103
   79   1HB   ASN  13          1HB       ASN  13  11.865   3.113  -7.232
   80   2HB   ASN  13          2HB       ASN  13  13.387   3.170  -8.096
   81   1HD2  ASN  13          1HD2      ASN  13  12.128   5.335  -6.795
   82   2HD2  ASN  13          2HD2      ASN  13  11.735   6.551  -7.965
   83    H    HIS  14           H        HIS  14  10.058   1.317  -7.490
   84    HA   HIS  14           HA       HIS  14  11.588  -0.684  -6.318
   85   1HB   HIS  14          1HB       HIS  14   9.601   0.374  -5.308
   86   2HB   HIS  14          2HB       HIS  14   8.575  -0.414  -6.489
   87    HD1  HIS  14           HD1      HIS  14  10.979  -1.339  -3.661
   88    HD2  HIS  14           HD2      HIS  14   7.717  -2.926  -5.766
   89    HE1  HIS  14           HE1      HIS  14  10.354  -3.512  -2.479
   90    H    CYS  15           H        CYS  15   8.994  -0.875  -8.854
   91    HA   CYS  15           HA       CYS  15   9.026  -3.567  -9.234
   92   1HB   CYS  15          1HB       CYS  15   8.742  -1.506 -11.428
   93   2HB   CYS  15          2HB       CYS  15   8.143  -3.152 -11.447
   94    H    LYS  16           H        LYS  16  11.262  -1.020 -10.437
   95    HA   LYS  16           HA       LYS  16  12.689  -2.739 -12.173
   96   1HB   LYS  16          1HB       LYS  16  13.867  -0.250 -10.973
   97   2HB   LYS  16          2HB       LYS  16  14.055  -0.904 -12.587
   98   1HG   LYS  16          1HG       LYS  16  11.259  -0.442 -12.267
   99   2HG   LYS  16          2HG       LYS  16  12.050   0.967 -11.589
  100   1HD   LYS  16          1HD       LYS  16  12.758  -0.173 -14.330
  101   2HD   LYS  16          2HD       LYS  16  11.549   1.075 -14.103
  102   1HE   LYS  16          1HE       LYS  16  13.124   2.699 -13.497
  103   2HE   LYS  16          2HE       LYS  16  14.249   1.525 -12.845
  104   1HZ   LYS  16          1HZ       LYS  16  14.741   0.818 -15.134
  105   2HZ   LYS  16          2HZ       LYS  16  13.696   1.911 -15.739
  106    H    SER  17           H        SER  17  12.764  -2.037  -8.704
  107    HA   SER  17           HA       SER  17  15.361  -2.987  -8.280
  108   1HB   SER  17          1HB       SER  17  13.642  -1.604  -6.758
  109   2HB   SER  17          2HB       SER  17  13.236  -3.197  -6.152
  110    HG   SER  17           HG       SER  17  15.654  -1.720  -5.897
  111    H    ILE  18           H        ILE  18  12.092  -4.483  -8.313
  112    HA   ILE  18           HA       ILE  18  13.117  -7.022  -7.432
  113    HB   ILE  18           HB       ILE  18  10.940  -7.688  -7.280
  114   1HG1  ILE  18          1HG1      ILE  18  10.509  -6.022  -9.718
  115   2HG1  ILE  18          2HG1      ILE  18  10.031  -7.674  -9.384
  116   1HG2  ILE  18          1HG2      ILE  18  10.477  -4.706  -7.168
  117   2HG2  ILE  18          2HG2      ILE  18   9.733  -5.990  -6.184
  118   3HG2  ILE  18          3HG2      ILE  18  11.449  -5.574  -5.955
  119   1HD1  ILE  18          1HD1      ILE  18   8.778  -5.198  -8.108
  120   2HD1  ILE  18          2HD1      ILE  18   8.066  -6.153  -9.431
  121   3HD1  ILE  18          3HD1      ILE  18   8.276  -6.881  -7.821
  122    H    SER  19           H        SER  19  12.794  -5.251 -10.413
  123    HA   SER  19           HA       SER  19  13.705  -5.815 -12.355
  124   1HB   SER  19          1HB       SER  19  13.546  -8.785 -11.763
  125   2HB   SER  19          2HB       SER  19  14.619  -7.953 -12.871
  126    HG   SER  19           HG       SER  19  15.580  -6.905 -10.914
  127    H    CYS  20           H        CYS  20  11.321  -5.012 -12.567
  128    HA   CYS  20           HA       CYS  20   9.793  -7.145 -13.871
  129   1HB   CYS  20          1HB       CYS  20   9.005  -5.329 -11.730
  130   2HB   CYS  20          2HB       CYS  20   7.939  -5.216 -13.116
  131    H    ARG  21           H        ARG  21   8.948  -3.675 -13.617
  132    HA   ARG  21           HA       ARG  21  10.234  -2.916 -15.975
  133   1HB   ARG  21          1HB       ARG  21   8.361  -4.407 -16.890
  134   2HB   ARG  21          2HB       ARG  21   7.206  -3.266 -16.231
  135   1HG   ARG  21          1HG       ARG  21   7.853  -2.957 -18.713
  136   2HG   ARG  21          2HG       ARG  21   7.887  -1.524 -17.708
  137   1HD   ARG  21          1HD       ARG  21  10.251  -1.461 -17.629
  138   2HD   ARG  21          2HD       ARG  21  10.414  -3.172 -17.976
  139    HE   ARG  21           HE       ARG  21  10.168  -2.729 -20.289
  140   1HH1  ARG  21          2HH2      ARG  21   9.514   0.201 -18.407
  141   2HH1  ARG  21          1HH2      ARG  21   9.541   1.244 -19.790
  142   1HH2  ARG  21          HH1       ARG  21   9.950   0.308 -21.958
  143    H    ALA  22           H        ALA  22   6.939  -2.306 -14.531
  144    HA   ALA  22           HA       ALA  22   7.714  -0.048 -13.084
  145   1HB   ALA  22          1HB       ALA  22   6.157   0.824 -15.501
  146   2HB   ALA  22          2HB       ALA  22   7.251   1.758 -14.453
  147   3HB   ALA  22          3HB       ALA  22   7.919   0.627 -15.653
  148    H    GLY  23           H        GLY  23   6.024   0.576 -11.718
  149   1HA   GLY  23          1HA       GLY  23   3.447  -0.795 -12.215
  150   2HA   GLY  23          2HA       GLY  23   4.187  -0.641 -10.635
  151    H    TYR  24           H        TYR  24   2.013   0.384 -10.122
  152    HA   TYR  24           HA       TYR  24   2.319   3.227 -10.191
  153   1HB   TYR  24          1HB       TYR  24   0.105   3.537 -11.375
  154   2HB   TYR  24          2HB       TYR  24   1.255   2.721 -12.417
  155    HD1  TYR  24           HD1      TYR  24  -1.424   1.902  -9.917
  156    HD2  TYR  24           HD2      TYR  24   0.569   0.804 -13.540
  157    HE1  TYR  24           HE1      TYR  24  -3.071  -0.004 -10.253
  158    HE2  TYR  24           HE2      TYR  24  -1.085  -1.099 -13.864
  159    HH   TYR  24           HH       TYR  24  -2.769  -2.414 -11.668
  160    H    CYS  25           H        CYS  25   0.402   4.299  -9.007
  161    HA   CYS  25           HA       CYS  25  -0.155   2.639  -6.721
  162   1HB   CYS  25          1HB       CYS  25  -0.959   5.517  -7.164
  163   2HB   CYS  25          2HB       CYS  25  -0.892   4.646  -5.645
  164    H    ASP  26           H        ASP  26  -1.989   1.389  -6.669
  165    HA   ASP  26           HA       ASP  26  -3.821   1.133  -8.529
  166   1HB   ASP  26          1HB       ASP  26  -3.584   0.430  -5.785
  167   2HB   ASP  26          2HB       ASP  26  -5.186   1.123  -5.936
  168    HD2  ASP  26           HD2      ASP  26  -6.688  -0.101  -6.852
  169    H    ALA  27           H        ALA  27  -4.670   2.987  -9.594
  170    HA   ALA  27           HA       ALA  27  -5.444   5.326  -8.265
  171   1HB   ALA  27          1HB       ALA  27  -4.926   5.491 -10.563
  172   2HB   ALA  27          2HB       ALA  27  -5.978   4.121 -10.992
  173   3HB   ALA  27          3HB       ALA  27  -6.696   5.676 -10.508
  174    H    ALA  28           H        ALA  28  -6.837   2.199  -8.300
  175    HA   ALA  28           HA       ALA  28  -9.546   3.215  -7.958
  176   1HB   ALA  28          1HB       ALA  28  -9.931   1.302  -9.085
  177   2HB   ALA  28          2HB       ALA  28  -8.271   0.722  -8.808
  178   3HB   ALA  28          3HB       ALA  28  -9.528   0.444  -7.578
  179    H    THR  29           H        THR  29  -6.796   2.965  -6.108
  180    HA   THR  29           HA       THR  29  -8.394   2.463  -3.686
  181    HB   THR  29           HB       THR  29  -6.568   0.685  -4.596
  182    HG1  THR  29           HG1      THR  29  -7.123   0.055  -2.549
  183   1HG2  THR  29          1HG2      THR  29  -4.377   1.179  -4.114
  184   2HG2  THR  29          2HG2      THR  29  -4.896   2.881  -4.077
  185   3HG2  THR  29          3HG2      THR  29  -4.817   1.942  -2.568
  186    H    LEU  30           H        LEU  30  -7.629   4.949  -5.292
  187    HA   LEU  30           HA       LEU  30  -7.112   7.037  -4.795
  188   1HB   LEU  30          1HB       LEU  30  -6.822   6.155  -1.922
  189   2HB   LEU  30          2HB       LEU  30  -7.044   7.792  -2.506
  190    HG   LEU  30           HG       LEU  30  -9.074   5.552  -2.733
  191   1HD1  LEU  30          1HD1      LEU  30  -9.982   7.763  -1.167
  192   2HD1  LEU  30          2HD1      LEU  30  -9.752   6.065  -0.687
  193   3HD1  LEU  30          3HD1      LEU  30  -8.408   7.223  -0.535
  194   1HD2  LEU  30          1HD2      LEU  30  -9.639   6.854  -4.530
  195   2HD2  LEU  30          2HD2      LEU  30 -10.552   7.674  -3.241
  196   3HD2  LEU  30          3HD2      LEU  30  -9.001   8.346  -3.798
  197    H    TRP  31           H        TRP  31  -5.142   5.249  -5.795
  198    HA   TRP  31           HA       TRP  31  -2.938   4.884  -5.913
  199   1HB   TRP  31          1HB       TRP  31  -3.001   7.868  -5.431
  200   2HB   TRP  31          2HB       TRP  31  -1.607   6.986  -6.024
  201    HD1  TRP  31           HD1      TRP  31  -1.495   6.670  -8.634
  202    HE1  TRP  31           HE1      TRP  31  -3.056   7.075 -10.723
  203    HE3  TRP  31           HE3      TRP  31  -5.676   7.768  -5.956
  204    HZ2  TRP  31           HZ2      TRP  31  -5.803   7.791 -11.014
  205    HZ3  TRP  31           HZ3      TRP  31  -7.755   8.310  -7.220
  206    HH2  TRP  31           HH2      TRP  31  -7.862   8.332  -9.662
  207    H    LEU  32           H        LEU  32  -3.128   3.583  -3.833
  208    HA   LEU  32           HA       LEU  32  -1.508   4.885  -1.759
  209   1HB   LEU  32          1HB       LEU  32  -3.557   4.846  -0.726
  210   2HB   LEU  32          2HB       LEU  32  -4.071   3.376  -1.530
  211    HG   LEU  32           HG       LEU  32  -2.729   2.007  -0.087
  212   1HD1  LEU  32          1HD1      LEU  32  -0.985   4.089   0.056
  213   2HD1  LEU  32          2HD1      LEU  32  -1.736   4.158   1.668
  214   3HD1  LEU  32          3HD1      LEU  32  -0.950   2.659   1.116
  215   1HD2  LEU  32          1HD2      LEU  32  -4.606   3.977   1.069
  216   2HD2  LEU  32          2HD2      LEU  32  -4.622   2.198   1.116
  217   3HD2  LEU  32          3HD2      LEU  32  -3.582   3.108   2.237
  218    H    ARG  33           H        ARG  33  -2.545   1.852  -3.406
  219    HA   ARG  33           HA       ARG  33  -0.467   0.381  -2.170
  220   1HB   ARG  33          1HB       ARG  33  -2.787  -0.152  -3.842
  221   2HB   ARG  33          2HB       ARG  33  -1.397  -0.961  -4.537
  222   1HG   ARG  33          1HG       ARG  33  -0.958  -2.187  -2.506
  223   2HG   ARG  33          2HG       ARG  33  -2.031  -1.168  -1.567
  224   1HD   ARG  33          1HD       ARG  33  -3.980  -2.013  -2.941
  225   2HD   ARG  33          2HD       ARG  33  -2.886  -3.087  -3.789
  226    HE   ARG  33           HE       ARG  33  -2.851  -4.498  -1.920
  227   1HH1  ARG  33          2HH2      ARG  33  -4.131  -1.341  -0.945
  228   2HH1  ARG  33          1HH2      ARG  33  -4.582  -1.874   0.640
  229   1HH2  ARG  33          HH1       ARG  33  -4.169  -4.147   1.275
  230    H    CYS  34           H        CYS  34   0.877  -1.092  -3.975
  231    HA   CYS  34           HA       CYS  34   1.855   0.723  -6.033
  232   1HB   CYS  34          1HB       CYS  34   3.355  -0.213  -3.676
  233   2HB   CYS  34          2HB       CYS  34   4.179  -0.454  -5.204
  234    H    THR  35           H        THR  35   0.718  -0.669  -7.534
  235    HA   THR  35           HA       THR  35   1.446  -3.490  -7.522
  236    HB   THR  35           HB       THR  35  -0.856  -1.942  -8.192
  237    HG1  THR  35           HG1      THR  35  -1.276  -4.028  -7.557
  238   1HG2  THR  35          1HG2      THR  35  -0.127  -1.645 -10.505
  239   2HG2  THR  35          2HG2      THR  35   0.458  -3.324 -10.585
  240   3HG2  THR  35          3HG2      THR  35  -1.288  -2.994 -10.489
  241    H    CYS  36           H        CYS  36   3.031  -4.357  -8.701
  242    HA   CYS  36           HA       CYS  36   4.434  -2.597 -10.502
  243   1HB   CYS  36          1HB       CYS  36   4.994  -5.272  -9.270
  244   2HB   CYS  36          2HB       CYS  36   5.882  -4.777 -10.697
  245    H    THR  37           H        THR  37   4.053  -2.585 -12.696
  246    HA   THR  37           HA       THR  37   2.640  -4.920 -13.808
  247    HB   THR  37           HB       THR  37   1.862  -3.031 -15.489
  248    HG1  THR  37           HG1      THR  37   1.923  -0.949 -14.274
  249   1HG2  THR  37          1HG2      THR  37   0.846  -3.830 -12.860
  250   2HG2  THR  37          2HG2      THR  37   0.489  -2.114 -13.172
  251   3HG2  THR  37          3HG2      THR  37  -0.070  -3.361 -14.312
  252    H    ASP  38           H        ASP  38   3.154  -5.539 -15.996
  253    HA   ASP  38           HA       ASP  38   4.519  -6.013 -17.611
  254   1HB   ASP  38          1HB       ASP  38   5.344  -3.183 -16.999
  255   2HB   ASP  38          2HB       ASP  38   6.418  -4.117 -18.022
  256    HD2  ASP  38           HD2      ASP  38   2.866  -2.964 -18.352
  257    H    CYS  39           H        CYS  39   6.182  -7.538 -17.472
  258    HA   CYS  39           HA       CYS  39   8.514  -6.901 -15.893
  259   1HB   CYS  39          1HB       CYS  39   6.951  -9.418 -15.300
  260   2HB   CYS  39          2HB       CYS  39   8.440  -8.890 -14.542
  261    H    ASN  40           H        ASN  40  10.327  -8.353 -16.472
  262    HA   ASN  40           HA       ASN  40   9.974  -9.329 -19.146
  263   1HB   ASN  40          1HB       ASN  40  12.005  -7.950 -18.150
  264   2HB   ASN  40          2HB       ASN  40  12.547  -9.494 -17.524
  265   1HD2  ASN  40          1HD2      ASN  40  14.040  -8.058 -19.312
  266   2HD2  ASN  40          2HD2      ASN  40  14.125  -8.871 -20.839
  267    H    GLY  41           H        GLY  41   8.515 -11.158 -18.276
  268   1HA   GLY  41          1HA       GLY  41   9.219 -13.605 -18.472
  269   2HA   GLY  41          2HA       GLY  41  10.053 -13.305 -16.960
  270    H    LYS  42           H        LYS  42   6.794 -12.984 -18.519
  271    HA   LYS  42           HA       LYS  42   5.643 -13.907 -15.999
  272   1HB   LYS  42          1HB       LYS  42   3.976 -12.204 -15.960
  273   2HB   LYS  42          2HB       LYS  42   5.534 -11.410 -16.069
  274   1HG   LYS  42          1HG       LYS  42   4.091 -12.062 -18.640
  275   2HG   LYS  42          2HG       LYS  42   3.497 -10.723 -17.678
  276   1HD   LYS  42          1HD       LYS  42   5.442  -9.451 -17.976
  277   2HD   LYS  42          2HD       LYS  42   6.464 -10.858 -18.187
  278   1HE   LYS  42          1HE       LYS  42   4.394  -9.896 -20.220
  279   2HE   LYS  42          2HE       LYS  42   6.113  -9.574 -20.322
  280   1HZ   LYS  42          1HZ       LYS  42   5.532 -11.525 -21.633
  281   2HZ   LYS  42          2HZ       LYS  42   6.488 -11.997 -20.402
  282    H    LYS  43           H        LYS  43   3.419 -14.800 -16.303
  283    HA   LYS  43           HA       LYS  43   2.030 -16.174 -17.328
  284   1HB   LYS  43          1HB       LYS  43   2.606 -14.160 -19.459
  285   2HB   LYS  43          2HB       LYS  43   1.751 -15.616 -19.927
  286   1HG   LYS  43          1HG       LYS  43  -0.154 -14.699 -19.112
  287   2HG   LYS  43          2HG       LYS  43   0.524 -14.818 -17.500
  288   1HD   LYS  43          1HD       LYS  43   1.785 -12.542 -18.542
  289   2HD   LYS  43          2HD       LYS  43   0.171 -12.436 -19.218
  290   1HE   LYS  43          1HE       LYS  43  -0.112 -13.224 -16.463
  291   2HE   LYS  43          2HE       LYS  43   1.025 -11.891 -16.505
  292   1HZ   LYS  43          1HZ       LYS  43  -0.568 -10.480 -17.396
  293   2HZ   LYS  43          2HZ       LYS  43  -1.449 -11.666 -18.081
  Start of MODEL    7
    1   1H    GLY   1           H        GLY   1   3.641  -0.764   1.888
    2   1HA   GLY   1          1HA       GLY   1   2.664   1.707   0.631
    3   2HA   GLY   1          2HA       GLY   1   3.398   1.791   2.220
    4    H    PHE   2           H        PHE   2   3.971   0.686  -1.171
    5    HA   PHE   2           HA       PHE   2   6.799   0.477  -0.696
    6   1HB   PHE   2          1HB       PHE   2   4.914   0.314  -3.118
    7   2HB   PHE   2          2HB       PHE   2   6.644   0.088  -3.280
    8    HD1  PHE   2           HD1      PHE   2   7.730  -1.906  -2.368
    9    HD2  PHE   2           HD2      PHE   2   3.528  -1.382  -2.087
   10    HE1  PHE   2           HE1      PHE   2   7.464  -4.340  -1.817
   11    HE2  PHE   2           HE2      PHE   2   3.261  -3.817  -1.536
   12    HZ   PHE   2           HZ       PHE   2   5.232  -5.266  -1.409
   13    H    GLY   3           H        GLY   3   5.001   3.128  -0.656
   14   1HA   GLY   3          1HA       GLY   3   6.769   5.047  -1.005
   15   2HA   GLY   3          2HA       GLY   3   6.427   4.679  -2.684
   16    H    CYS   4           H        CYS   4   3.660   4.023  -2.566
   17    HA   CYS   4           HA       CYS   4   2.599   6.663  -2.372
   18   1HB   CYS   4          1HB       CYS   4   1.852   4.135  -3.592
   19   2HB   CYS   4          2HB       CYS   4   0.483   4.887  -2.796
   20    HA   PRO   5           HA       PRO   5   0.348   7.000  -2.347
   21   1HB   PRO   5          1HB       PRO   5  -1.015   8.991  -1.064
   22   2HB   PRO   5          2HB       PRO   5  -1.753   7.473  -1.534
   23   1HG   PRO   5          1HG       PRO   5  -0.923   8.374   1.156
   24   2HG   PRO   5          2HG       PRO   5  -2.024   7.080   0.722
   25   1HD   PRO   5          1HD       PRO   5   0.690   6.800   1.609
   26   2HD   PRO   5          2HD       PRO   5  -0.374   5.518   1.065
   27    H    GLY   6           H        GLY   6   0.849   8.988  -3.434
   28   1HA   GLY   6          1HA       GLY   6   2.048  10.904  -3.692
   29   2HA   GLY   6          2HA       GLY   6   2.514  10.856  -2.003
   30    H    ASN   7           H        ASN   7   2.973   8.674  -4.887
   31    HA   ASN   7           HA       ASN   7   5.541   9.114  -5.379
   32   1HB   ASN   7          1HB       ASN   7   5.313   7.846  -2.766
   33   2HB   ASN   7          2HB       ASN   7   6.108   6.732  -3.861
   34   1HD2  ASN   7          1HD2      ASN   7   7.574   8.165  -5.506
   35   2HD2  ASN   7          2HD2      ASN   7   8.765   9.127  -4.696
   36    H    GLN   8           H        GLN   8   4.364   8.399  -7.356
   37    HA   GLN   8           HA       GLN   8   3.634   5.611  -7.417
   38   1HB   GLN   8          1HB       GLN   8   2.094   7.277  -8.403
   39   2HB   GLN   8          2HB       GLN   8   3.347   7.820  -9.501
   40   1HG   GLN   8          1HG       GLN   8   3.255   5.017  -9.872
   41   2HG   GLN   8          2HG       GLN   8   1.575   5.489  -9.716
   42   1HE2  GLN   8          1HE2      GLN   8   0.563   6.372 -11.372
   43   2HE2  GLN   8          2HE2      GLN   8   1.284   6.927 -12.846
   44    H    LEU   9           H        LEU   9   6.168   7.835  -8.491
   45    HA   LEU   9           HA       LEU   9   7.231   6.112 -10.482
   46   1HB   LEU   9          1HB       LEU   9   8.894   7.702 -10.741
   47   2HB   LEU   9          2HB       LEU   9   7.468   8.621 -10.304
   48    HG   LEU   9           HG       LEU   9   9.141   7.867  -8.001
   49   1HD1  LEU   9          1HD1      LEU   9  10.858   8.202  -9.795
   50   2HD1  LEU   9          2HD1      LEU   9  10.270   9.873  -9.966
   51   3HD1  LEU   9          3HD1      LEU   9  10.978   9.333  -8.425
   52   1HD2  LEU   9          1HD2      LEU   9   8.260  10.620  -8.867
   53   2HD2  LEU   9          2HD2      LEU   9   7.151   9.465  -8.089
   54   3HD2  LEU   9          3HD2      LEU   9   8.607  10.019  -7.229
   55    H    LYS  10           H        LYS  10   7.388   6.307  -6.980
   56    HA   LYS  10           HA       LYS  10   9.858   4.941  -6.710
   57   1HB   LYS  10          1HB       LYS  10   8.196   6.374  -5.048
   58   2HB   LYS  10          2HB       LYS  10   7.926   4.733  -4.496
   59   1HG   LYS  10          1HG       LYS  10  10.604   4.595  -4.663
   60   2HG   LYS  10          2HG       LYS  10  10.484   6.337  -4.509
   61   1HD   LYS  10          1HD       LYS  10   8.749   5.538  -2.523
   62   2HD   LYS  10          2HD       LYS  10   9.892   4.210  -2.500
   63   1HE   LYS  10          1HE       LYS  10  11.761   5.693  -2.084
   64   2HE   LYS  10          2HE       LYS  10  10.809   7.115  -2.461
   65   1HZ   LYS  10          1HZ       LYS  10  10.143   5.328  -0.189
   66   2HZ   LYS  10          2HZ       LYS  10  11.090   6.642  -0.023
   67    H    CYS  11           H        CYS  11   6.515   4.009  -7.343
   68    HA   CYS  11           HA       CYS  11   6.815   1.333  -6.473
   69   1HB   CYS  11          1HB       CYS  11   4.805   2.523  -8.395
   70   2HB   CYS  11          2HB       CYS  11   4.700   0.943  -7.643
   71    H    ASN  12           H        ASN  12   7.426   3.207  -9.447
   72    HA   ASN  12           HA       ASN  12   7.687   0.925 -11.088
   73   1HB   ASN  12          1HB       ASN  12   8.753   3.772 -11.482
   74   2HB   ASN  12          2HB       ASN  12   8.628   2.560 -12.742
   75   1HD2  ASN  12          1HD2      ASN  12   7.095   3.190 -14.064
   76   2HD2  ASN  12          2HD2      ASN  12   5.487   3.674 -13.643
   77    H    ASN  13           H        ASN  13   9.898   3.225  -9.364
   78    HA   ASN  13           HA       ASN  13  12.257   2.141 -10.337
   79   1HB   ASN  13          1HB       ASN  13  11.923   3.413  -7.580
   80   2HB   ASN  13          2HB       ASN  13  13.345   3.454  -8.604
   81   1HD2  ASN  13          1HD2      ASN  13  11.657   5.577  -7.401
   82   2HD2  ASN  13          2HD2      ASN  13  11.185   6.625  -8.697
   83    H    HIS  14           H        HIS  14   9.965   1.193  -7.814
   84    HA   HIS  14           HA       HIS  14  11.811  -0.449  -6.387
   85   1HB   HIS  14          1HB       HIS  14  10.181   0.202  -4.954
   86   2HB   HIS  14          2HB       HIS  14   8.956   0.307  -6.203
   87    HD1  HIS  14           HD1      HIS  14  10.531  -2.122  -3.783
   88    HD2  HIS  14           HD2      HIS  14   7.439  -2.038  -6.616
   89    HE1  HIS  14           HE1      HIS  14   9.172  -4.250  -3.421
   90    H    CYS  15           H        CYS  15   9.116  -0.970  -8.751
   91    HA   CYS  15           HA       CYS  15   9.368  -3.752  -8.777
   92   1HB   CYS  15          1HB       CYS  15   8.301  -1.912 -10.929
   93   2HB   CYS  15          2HB       CYS  15   8.060  -3.646 -10.853
   94    H    LYS  16           H        LYS  16  11.233  -1.111 -10.146
   95    HA   LYS  16           HA       LYS  16  12.428  -2.749 -12.197
   96   1HB   LYS  16          1HB       LYS  16  12.447  -0.670 -13.050
   97   2HB   LYS  16          2HB       LYS  16  12.329   0.097 -11.479
   98   1HG   LYS  16          1HG       LYS  16  14.929  -1.264 -12.158
   99   2HG   LYS  16          2HG       LYS  16  14.568   0.237 -12.988
  100   1HD   LYS  16          1HD       LYS  16  14.039   1.216 -10.632
  101   2HD   LYS  16          2HD       LYS  16  14.814  -0.219  -9.988
  102   1HE   LYS  16          1HE       LYS  16  16.644   1.229 -10.097
  103   2HE   LYS  16          2HE       LYS  16  16.784   0.432 -11.652
  104   1HZ   LYS  16          1HZ       LYS  16  16.323   3.166 -11.159
  105   2HZ   LYS  16          2HZ       LYS  16  16.550   2.439 -12.598
  106    H    SER  17           H        SER  17  13.123  -1.575  -8.893
  107    HA   SER  17           HA       SER  17  15.817  -2.327  -8.940
  108   1HB   SER  17          1HB       SER  17  14.843  -0.709  -7.317
  109   2HB   SER  17          2HB       SER  17  13.907  -1.995  -6.583
  110    HG   SER  17           HG       SER  17  15.607  -2.493  -5.396
  111    H    ILE  18           H        ILE  18  12.751  -4.015  -8.297
  112    HA   ILE  18           HA       ILE  18  14.049  -6.294  -7.126
  113    HB   ILE  18           HB       ILE  18  11.834  -7.236  -7.034
  114   1HG1  ILE  18          1HG1      ILE  18  11.065  -4.922  -8.822
  115   2HG1  ILE  18          2HG1      ILE  18  10.886  -6.636  -9.134
  116   1HG2  ILE  18          1HG2      ILE  18  11.172  -4.466  -6.254
  117   2HG2  ILE  18          2HG2      ILE  18  11.196  -5.964  -5.293
  118   3HG2  ILE  18          3HG2      ILE  18  12.713  -5.092  -5.619
  119   1HD1  ILE  18          1HD1      ILE  18   9.383  -4.977  -7.065
  120   2HD1  ILE  18          2HD1      ILE  18   8.710  -5.803  -8.491
  121   3HD1  ILE  18          3HD1      ILE  18   9.321  -6.754  -7.116
  122    H    SER  19           H        SER  19  12.193  -5.658 -10.188
  123    HA   SER  19           HA       SER  19  13.728  -6.456 -12.052
  124   1HB   SER  19          1HB       SER  19  13.186  -8.902 -10.394
  125   2HB   SER  19          2HB       SER  19  13.201  -9.107 -12.134
  126    HG   SER  19           HG       SER  19  15.335  -8.857 -12.174
  127    H    CYS  20           H        CYS  20  11.713  -5.061 -12.512
  128    HA   CYS  20           HA       CYS  20   9.796  -6.758 -13.855
  129   1HB   CYS  20          1HB       CYS  20   9.188  -5.428 -11.379
  130   2HB   CYS  20          2HB       CYS  20   8.241  -4.714 -12.669
  131    H    ARG  21           H        ARG  21   8.022  -4.623 -14.596
  132    HA   ARG  21           HA       ARG  21   9.858  -3.135 -16.256
  133   1HB   ARG  21          1HB       ARG  21   8.083  -4.296 -17.464
  134   2HB   ARG  21          2HB       ARG  21   6.850  -3.638 -16.409
  135   1HG   ARG  21          1HG       ARG  21   7.131  -2.509 -18.720
  136   2HG   ARG  21          2HG       ARG  21   7.042  -1.449 -17.327
  137   1HD   ARG  21          1HD       ARG  21   8.888  -0.679 -18.703
  138   2HD   ARG  21          2HD       ARG  21   9.581  -1.401 -17.265
  139    HE   ARG  21           HE       ARG  21   9.477  -3.529 -19.025
  140   1HH1  ARG  21          2HH2      ARG  21  10.824  -0.260 -19.255
  141   2HH1  ARG  21          1HH2      ARG  21  12.073  -0.719 -20.364
  142   1HH2  ARG  21          HH1       ARG  21  12.232  -3.002 -21.075
  143    H    ALA  22           H        ALA  22   6.730  -2.548 -14.471
  144    HA   ALA  22           HA       ALA  22   7.629  -0.443 -12.945
  145   1HB   ALA  22          1HB       ALA  22   7.914   1.211 -14.455
  146   2HB   ALA  22          2HB       ALA  22   7.130   0.272 -15.747
  147   3HB   ALA  22          3HB       ALA  22   6.142   1.223 -14.612
  148    H    GLY  23           H        GLY  23   5.975   0.251 -11.536
  149   1HA   GLY  23          1HA       GLY  23   3.338  -0.990 -12.052
  150   2HA   GLY  23          2HA       GLY  23   4.098  -0.914 -10.475
  151    H    TYR  24           H        TYR  24   1.660   0.127 -10.428
  152    HA   TYR  24           HA       TYR  24   2.169   2.991 -10.250
  153   1HB   TYR  24          1HB       TYR  24   0.002   3.381 -11.457
  154   2HB   TYR  24          2HB       TYR  24   1.089   2.468 -12.484
  155    HD1  TYR  24           HD1      TYR  24  -1.612   1.885  -9.943
  156    HD2  TYR  24           HD2      TYR  24   0.273   0.570 -13.552
  157    HE1  TYR  24           HE1      TYR  24  -3.379   0.077 -10.217
  158    HE2  TYR  24           HE2      TYR  24  -1.500  -1.233 -13.813
  159    HH   TYR  24           HH       TYR  24  -3.305  -2.333 -11.493
  160    H    CYS  25           H        CYS  25   0.397   4.113  -8.981
  161    HA   CYS  25           HA       CYS  25  -0.297   2.395  -6.773
  162   1HB   CYS  25          1HB       CYS  25  -0.756   5.367  -7.088
  163   2HB   CYS  25          2HB       CYS  25  -0.886   4.433  -5.612
  164    H    ASP  26           H        ASP  26  -2.254   1.347  -6.740
  165    HA   ASP  26           HA       ASP  26  -4.101   1.308  -8.579
  166   1HB   ASP  26          1HB       ASP  26  -3.957   0.581  -5.840
  167   2HB   ASP  26          2HB       ASP  26  -5.463   1.466  -5.982
  168    HD2  ASP  26           HD2      ASP  26  -4.333  -1.809  -6.549
  169    H    ALA  27           H        ALA  27  -4.839   3.180  -9.662
  170    HA   ALA  27           HA       ALA  27  -5.336   5.615  -8.330
  171   1HB   ALA  27          1HB       ALA  27  -5.895   4.476 -11.076
  172   2HB   ALA  27          2HB       ALA  27  -6.520   6.075 -10.607
  173   3HB   ALA  27          3HB       ALA  27  -4.768   5.771 -10.605
  174    H    ALA  28           H        ALA  28  -6.991   2.668  -8.250
  175    HA   ALA  28           HA       ALA  28  -9.597   3.972  -7.969
  176   1HB   ALA  28          1HB       ALA  28 -10.490   2.039  -8.752
  177   2HB   ALA  28          2HB       ALA  28  -8.836   1.690  -9.311
  178   3HB   ALA  28          3HB       ALA  28  -9.409   1.028  -7.762
  179    H    THR  29           H        THR  29  -6.937   3.472  -6.119
  180    HA   THR  29           HA       THR  29  -8.580   2.984  -3.729
  181    HB   THR  29           HB       THR  29  -6.916   1.078  -4.712
  182    HG1  THR  29           HG1      THR  29  -6.974   0.411  -2.482
  183   1HG2  THR  29          1HG2      THR  29  -4.700   1.317  -4.142
  184   2HG2  THR  29          2HG2      THR  29  -5.048   3.062  -4.095
  185   3HG2  THR  29          3HG2      THR  29  -5.103   2.102  -2.596
  186    H    LEU  30           H        LEU  30  -7.512   5.429  -5.260
  187    HA   LEU  30           HA       LEU  30  -6.834   7.444  -4.657
  188   1HB   LEU  30          1HB       LEU  30  -6.493   6.483  -1.823
  189   2HB   LEU  30          2HB       LEU  30  -6.757   8.121  -2.388
  190    HG   LEU  30           HG       LEU  30  -8.784   5.873  -2.572
  191   1HD1  LEU  30          1HD1      LEU  30  -9.526   8.068  -0.843
  192   2HD1  LEU  30          2HD1      LEU  30  -9.448   6.322  -0.502
  193   3HD1  LEU  30          3HD1      LEU  30  -7.995   7.332  -0.311
  194   1HD2  LEU  30          1HD2      LEU  30  -8.627   8.330  -3.972
  195   2HD2  LEU  30          2HD2      LEU  30  -9.967   7.160  -3.933
  196   3HD2  LEU  30          3HD2      LEU  30  -9.919   8.499  -2.760
  197    H    TRP  31           H        TRP  31  -5.060   5.445  -5.723
  198    HA   TRP  31           HA       TRP  31  -2.902   4.890  -5.896
  199   1HB   TRP  31          1HB       TRP  31  -2.692   7.860  -5.380
  200   2HB   TRP  31          2HB       TRP  31  -1.380   6.867  -5.983
  201    HD1  TRP  31           HD1      TRP  31  -1.312   6.524  -8.596
  202    HE1  TRP  31           HE1      TRP  31  -2.830   7.092 -10.678
  203    HE3  TRP  31           HE3      TRP  31  -5.345   8.052  -5.902
  204    HZ2  TRP  31           HZ2      TRP  31  -5.488   8.094 -10.958
  205    HZ3  TRP  31           HZ3      TRP  31  -7.361   8.809  -7.157
  206    HH2  TRP  31           HH2      TRP  31  -7.473   8.847  -9.599
  207    H    LEU  32           H        LEU  32  -3.250   3.610  -3.793
  208    HA   LEU  32           HA       LEU  32  -1.497   4.733  -1.720
  209   1HB   LEU  32          1HB       LEU  32  -3.537   4.761  -0.676
  210   2HB   LEU  32          2HB       LEU  32  -4.134   3.355  -1.535
  211    HG   LEU  32           HG       LEU  32  -2.939   1.851  -0.139
  212   1HD1  LEU  32          1HD1      LEU  32  -1.647   3.675   1.713
  213   2HD1  LEU  32          2HD1      LEU  32  -0.986   2.276   0.834
  214   3HD1  LEU  32          3HD1      LEU  32  -1.033   3.875   0.054
  215   1HD2  LEU  32          1HD2      LEU  32  -4.196   4.082   1.470
  216   2HD2  LEU  32          2HD2      LEU  32  -4.955   2.580   0.890
  217   3HD2  LEU  32          3HD2      LEU  32  -3.710   2.515   2.161
  218    H    ARG  33           H        ARG  33  -2.650   1.842  -3.521
  219    HA   ARG  33           HA       ARG  33  -0.659   0.217  -2.320
  220   1HB   ARG  33          1HB       ARG  33  -3.057  -0.232  -3.714
  221   2HB   ARG  33          2HB       ARG  33  -1.838  -0.777  -4.848
  222   1HG   ARG  33          1HG       ARG  33  -0.825  -2.207  -3.040
  223   2HG   ARG  33          2HG       ARG  33  -2.089  -1.691  -1.943
  224   1HD   ARG  33          1HD       ARG  33  -3.722  -2.977  -2.983
  225   2HD   ARG  33          2HD       ARG  33  -3.018  -2.782  -4.577
  226    HE   ARG  33           HE       ARG  33  -1.135  -4.311  -3.227
  227   1HH1  ARG  33          2HH2      ARG  33  -4.609  -4.663  -3.832
  228   2HH1  ARG  33          1HH2      ARG  33  -4.563  -6.394  -3.804
  229   1HH2  ARG  33          HH1       ARG  33  -2.475  -7.509  -3.426
  230    H    CYS  34           H        CYS  34   0.516  -1.285  -4.288
  231    HA   CYS  34           HA       CYS  34   1.563   0.520  -6.295
  232   1HB   CYS  34          1HB       CYS  34   3.136  -0.504  -3.982
  233   2HB   CYS  34          2HB       CYS  34   3.915  -0.511  -5.551
  234    H    THR  35           H        THR  35   0.479  -0.880  -7.802
  235    HA   THR  35           HA       THR  35   1.138  -3.714  -7.709
  236    HB   THR  35           HB       THR  35  -1.124  -2.195  -8.415
  237    HG1  THR  35           HG1      THR  35  -1.703  -4.465  -9.188
  238   1HG2  THR  35          1HG2      THR  35  -0.151  -1.740 -10.679
  239   2HG2  THR  35          2HG2      THR  35   0.153  -3.482 -10.886
  240   3HG2  THR  35          3HG2      THR  35  -1.517  -2.876 -10.783
  241    H    CYS  36           H        CYS  36   2.722  -4.663  -8.828
  242    HA   CYS  36           HA       CYS  36   4.290  -2.986 -10.556
  243   1HB   CYS  36          1HB       CYS  36   4.616  -5.800  -9.520
  244   2HB   CYS  36          2HB       CYS  36   5.684  -5.124 -10.733
  245    H    THR  37           H        THR  37   3.734  -2.767 -12.695
  246    HA   THR  37           HA       THR  37   2.329  -5.030 -13.951
  247    HB   THR  37           HB       THR  37   1.151  -3.393 -15.249
  248    HG1  THR  37           HG1      THR  37   3.232  -1.623 -14.170
  249   1HG2  THR  37          1HG2      THR  37   0.452  -1.573 -13.629
  250   2HG2  THR  37          2HG2      THR  37   0.341  -3.204 -12.925
  251   3HG2  THR  37          3HG2      THR  37   1.710  -2.145 -12.507
  252    H    ASP  38           H        ASP  38   2.992  -5.824 -15.947
  253    HA   ASP  38           HA       ASP  38   4.396  -6.351 -17.511
  254   1HB   ASP  38          1HB       ASP  38   5.031  -3.415 -17.193
  255   2HB   ASP  38          2HB       ASP  38   6.086  -4.381 -18.206
  256    HD2  ASP  38           HD2      ASP  38   3.532  -2.350 -18.896
  257    H    CYS  39           H        CYS  39   6.555  -7.278 -17.704
  258    HA   CYS  39           HA       CYS  39   8.591  -6.416 -15.882
  259   1HB   CYS  39          1HB       CYS  39   7.420  -9.190 -15.578
  260   2HB   CYS  39          2HB       CYS  39   8.880  -8.607 -14.804
  261    H    ASN  40           H        ASN  40  10.636  -7.829 -16.298
  262    HA   ASN  40           HA       ASN  40  10.493  -8.876 -19.016
  263   1HB   ASN  40          1HB       ASN  40  12.280  -6.816 -17.806
  264   2HB   ASN  40          2HB       ASN  40  13.139  -8.049 -18.710
  265   1HD2  ASN  40          1HD2      ASN  40  13.736  -6.652 -20.326
  266   2HD2  ASN  40          2HD2      ASN  40  12.642  -6.035 -21.519
  267    H    GLY  41           H        GLY  41  10.212 -11.003 -17.841
  268   1HA   GLY  41          1HA       GLY  41  12.221 -12.701 -17.775
  269   2HA   GLY  41          2HA       GLY  41  12.494 -11.893 -16.245
  270    H    LYS  42           H        LYS  42   9.658 -13.201 -18.122
  271    HA   LYS  42           HA       LYS  42   8.643 -14.247 -15.579
  272   1HB   LYS  42          1HB       LYS  42   6.460 -14.133 -16.500
  273   2HB   LYS  42          2HB       LYS  42   7.238 -12.603 -16.855
  274   1HG   LYS  42          1HG       LYS  42   7.721 -14.597 -18.973
  275   2HG   LYS  42          2HG       LYS  42   6.011 -14.318 -18.718
  276   1HD   LYS  42          1HD       LYS  42   7.894 -11.951 -18.918
  277   2HD   LYS  42          2HD       LYS  42   7.374 -12.764 -20.380
  278   1HE   LYS  42          1HE       LYS  42   4.950 -12.500 -19.178
  279   2HE   LYS  42          2HE       LYS  42   5.761 -11.140 -18.429
  280   1HZ   LYS  42          1HZ       LYS  42   4.640 -11.068 -20.883
  281   2HZ   LYS  42          2HZ       LYS  42   5.791 -10.026 -20.389
  282    H    LYS  43           H        LYS  43   7.780 -16.436 -15.531
  283    HA   LYS  43           HA       LYS  43   7.981 -18.608 -15.877
  284   1HB   LYS  43          1HB       LYS  43   7.603 -17.512 -18.628
  285   2HB   LYS  43          2HB       LYS  43   8.075 -19.194 -18.490
  286   1HG   LYS  43          1HG       LYS  43   5.706 -19.276 -18.428
  287   2HG   LYS  43          2HG       LYS  43   6.165 -19.424 -16.743
  288   1HD   LYS  43          1HD       LYS  43   5.645 -17.108 -16.290
  289   2HD   LYS  43          2HD       LYS  43   5.541 -16.719 -17.996
  290   1HE   LYS  43          1HE       LYS  43   3.627 -18.607 -17.965
  291   2HE   LYS  43          2HE       LYS  43   3.562 -18.201 -16.261
  292   1HZ   LYS  43          1HZ       LYS  43   3.502 -16.036 -18.263
  293   2HZ   LYS  43          2HZ       LYS  43   2.132 -16.845 -17.917
  Start of MODEL    8
    1   1H    GLY   1           H        GLY   1   1.142   0.947   0.698
    2   1HA   GLY   1          1HA       GLY   1   1.786  -0.868  -0.500
    3   2HA   GLY   1          2HA       GLY   1   2.008   0.139  -1.917
    4    H    PHE   2           H        PHE   2   3.995   1.620  -1.929
    5    HA   PHE   2           HA       PHE   2   6.114   0.903  -0.149
    6   1HB   PHE   2          1HB       PHE   2   5.787  -0.158  -2.971
    7   2HB   PHE   2          2HB       PHE   2   7.403   0.342  -2.511
    8    HD1  PHE   2           HD1      PHE   2   5.094  -2.317  -2.494
    9    HD2  PHE   2           HD2      PHE   2   8.298  -0.660  -0.260
   10    HE1  PHE   2           HE1      PHE   2   5.462  -4.535  -1.377
   11    HE2  PHE   2           HE2      PHE   2   8.666  -2.878   0.858
   12    HZ   PHE   2           HZ       PHE   2   7.244  -4.788   0.285
   13    H    GLY   3           H        GLY   3   4.796   3.357  -0.681
   14   1HA   GLY   3          1HA       GLY   3   6.724   5.191  -0.904
   15   2HA   GLY   3          2HA       GLY   3   6.415   4.832  -2.591
   16    H    CYS   4           H        CYS   4   3.651   4.364  -2.661
   17    HA   CYS   4           HA       CYS   4   2.705   7.029  -2.498
   18   1HB   CYS   4          1HB       CYS   4   1.792   4.469  -3.595
   19   2HB   CYS   4          2HB       CYS   4   0.490   5.449  -2.951
   20    HA   PRO   5           HA       PRO   5   0.462   7.463  -2.542
   21   1HB   PRO   5          1HB       PRO   5  -0.843   9.551  -1.355
   22   2HB   PRO   5          2HB       PRO   5  -1.636   8.051  -1.796
   23   1HG   PRO   5          1HG       PRO   5  -0.828   9.004   0.884
   24   2HG   PRO   5          2HG       PRO   5  -1.973   7.746   0.466
   25   1HD   PRO   5          1HD       PRO   5   0.704   7.379   1.426
   26   2HD   PRO   5          2HD       PRO   5  -0.401   6.125   0.898
   27    H    GLY   6           H        GLY   6   0.953   9.523  -3.606
   28   1HA   GLY   6          1HA       GLY   6   2.272  11.336  -3.914
   29   2HA   GLY   6          2HA       GLY   6   2.704  11.311  -2.216
   30    H    ASN   7           H        ASN   7   3.102   8.883  -4.898
   31    HA   ASN   7           HA       ASN   7   5.739   9.282  -5.353
   32   1HB   ASN   7          1HB       ASN   7   5.291   7.945  -2.785
   33   2HB   ASN   7          2HB       ASN   7   6.140   6.865  -3.872
   34   1HD2  ASN   7          1HD2      ASN   7   7.736   7.263  -2.077
   35   2HD2  ASN   7          2HD2      ASN   7   8.884   8.543  -2.288
   36    H    GLN   8           H        GLN   8   4.511   8.678  -7.368
   37    HA   GLN   8           HA       GLN   8   3.689   5.921  -7.509
   38   1HB   GLN   8          1HB       GLN   8   2.393   7.942  -8.493
   39   2HB   GLN   8          2HB       GLN   8   3.604   7.963  -9.760
   40   1HG   GLN   8          1HG       GLN   8   3.078   5.490 -10.176
   41   2HG   GLN   8          2HG       GLN   8   1.741   5.650  -9.055
   42   1HE2  GLN   8          1HE2      GLN   8   2.921   6.221 -12.209
   43   2HE2  GLN   8          2HE2      GLN   8   1.528   6.986 -12.898
   44    H    LEU   9           H        LEU   9   6.402   7.985  -8.306
   45    HA   LEU   9           HA       LEU   9   7.415   6.290 -10.380
   46   1HB   LEU   9          1HB       LEU   9   9.124   7.824 -10.589
   47   2HB   LEU   9          2HB       LEU   9   7.744   8.796 -10.118
   48    HG   LEU   9           HG       LEU   9   9.309   7.913  -7.810
   49   1HD1  LEU   9          1HD1      LEU   9  10.751   9.918  -9.508
   50   2HD1  LEU   9          2HD1      LEU   9  11.358   8.889  -8.188
   51   3HD1  LEU   9          3HD1      LEU   9  11.011   8.179  -9.783
   52   1HD2  LEU   9          1HD2      LEU   9   7.567   9.966  -8.459
   53   2HD2  LEU   9          2HD2      LEU   9   8.529   9.822  -6.968
   54   3HD2  LEU   9          3HD2      LEU   9   9.147  10.778  -8.337
   55    H    LYS  10           H        LYS  10   7.578   6.506  -6.856
   56    HA   LYS  10           HA       LYS  10   9.949   5.008  -6.557
   57   1HB   LYS  10          1HB       LYS  10   8.299   6.481  -4.912
   58   2HB   LYS  10          2HB       LYS  10   7.966   4.843  -4.387
   59   1HG   LYS  10          1HG       LYS  10  10.735   4.801  -4.659
   60   2HG   LYS  10          2HG       LYS  10  10.452   6.443  -4.114
   61   1HD   LYS  10          1HD       LYS  10   9.360   5.712  -2.102
   62   2HD   LYS  10          2HD       LYS  10   9.139   4.084  -2.713
   63   1HE   LYS  10          1HE       LYS  10  11.980   4.969  -2.635
   64   2HE   LYS  10          2HE       LYS  10  11.216   4.888  -1.060
   65   1HZ   LYS  10          1HZ       LYS  10  11.935   2.726  -2.809
   66   2HZ   LYS  10          2HZ       LYS  10  11.645   2.690  -1.207
   67    H    CYS  11           H        CYS  11   6.623   4.212  -7.359
   68    HA   CYS  11           HA       CYS  11   6.791   1.513  -6.490
   69   1HB   CYS  11          1HB       CYS  11   4.866   2.887  -8.377
   70   2HB   CYS  11          2HB       CYS  11   4.702   1.236  -7.811
   71    H    ASN  12           H        ASN  12   7.189   3.349  -9.578
   72    HA   ASN  12           HA       ASN  12   7.483   1.146 -11.212
   73   1HB   ASN  12          1HB       ASN  12   7.139   3.328 -12.209
   74   2HB   ASN  12          2HB       ASN  12   8.518   4.013 -11.372
   75   1HD2  ASN  12          1HD2      ASN  12   9.018   4.702 -13.587
   76   2HD2  ASN  12          2HD2      ASN  12   9.945   3.658 -14.613
   77    H    ASN  13           H        ASN  13   9.944   3.334  -9.640
   78    HA   ASN  13           HA       ASN  13  12.178   2.062 -10.529
   79   1HB   ASN  13          1HB       ASN  13  11.902   3.227  -7.717
   80   2HB   ASN  13          2HB       ASN  13  13.345   3.193  -8.712
   81   1HD2  ASN  13          1HD2      ASN  13  11.859   5.407  -7.452
   82   2HD2  ASN  13          2HD2      ASN  13  11.486   6.541  -8.707
   83    H    HIS  14           H        HIS  14  10.099   1.457  -7.629
   84    HA   HIS  14           HA       HIS  14  11.739  -0.504  -6.491
   85   1HB   HIS  14          1HB       HIS  14  10.224   0.423  -5.020
   86   2HB   HIS  14          2HB       HIS  14   8.904   0.395  -6.173
   87    HD1  HIS  14           HD1      HIS  14  10.726  -1.789  -3.689
   88    HD2  HIS  14           HD2      HIS  14   7.402  -1.990  -6.240
   89    HE1  HIS  14           HE1      HIS  14   9.444  -3.893  -3.028
   90    H    CYS  15           H        CYS  15   9.333  -0.530  -9.100
   91    HA   CYS  15           HA       CYS  15   8.910  -3.312  -9.083
   92   1HB   CYS  15          1HB       CYS  15   8.502  -1.193 -11.196
   93   2HB   CYS  15          2HB       CYS  15   8.099  -2.880 -11.450
   94    H    LYS  16           H        LYS  16  11.281  -1.068 -10.566
   95    HA   LYS  16           HA       LYS  16  12.426  -3.104 -12.224
   96   1HB   LYS  16          1HB       LYS  16  13.906  -0.590 -11.628
   97   2HB   LYS  16          2HB       LYS  16  13.656  -1.420 -13.152
   98   1HG   LYS  16          1HG       LYS  16  11.077  -0.716 -12.620
   99   2HG   LYS  16          2HG       LYS  16  11.896   0.572 -11.759
  100   1HD   LYS  16          1HD       LYS  16  11.397   1.183 -14.137
  101   2HD   LYS  16          2HD       LYS  16  13.111   1.243 -13.779
  102   1HE   LYS  16          1HE       LYS  16  13.600  -0.470 -15.221
  103   2HE   LYS  16          2HE       LYS  16  12.227  -1.427 -14.705
  104   1HZ   LYS  16          1HZ       LYS  16  10.793  -0.087 -16.111
  105   2HZ   LYS  16          2HZ       LYS  16  12.009   0.915 -16.520
  106    H    SER  17           H        SER  17  12.682  -2.055  -8.903
  107    HA   SER  17           HA       SER  17  15.334  -3.041  -8.591
  108   1HB   SER  17          1HB       SER  17  13.215  -1.905  -6.766
  109   2HB   SER  17          2HB       SER  17  14.561  -2.771  -6.054
  110    HG   SER  17           HG       SER  17  15.989  -1.298  -7.335
  111    H    ILE  18           H        ILE  18  11.973  -4.166  -8.082
  112    HA   ILE  18           HA       ILE  18  12.782  -6.518  -6.671
  113    HB   ILE  18           HB       ILE  18  10.451  -7.103  -6.741
  114   1HG1  ILE  18          1HG1      ILE  18  10.221  -4.883  -8.783
  115   2HG1  ILE  18          2HG1      ILE  18   9.818  -6.578  -8.978
  116   1HG2  ILE  18          1HG2      ILE  18  11.522  -4.790  -5.573
  117   2HG2  ILE  18          2HG2      ILE  18   9.935  -4.307  -6.219
  118   3HG2  ILE  18          3HG2      ILE  18  10.056  -5.675  -5.088
  119   1HD1  ILE  18          1HD1      ILE  18   8.339  -4.446  -7.421
  120   2HD1  ILE  18          2HD1      ILE  18   7.707  -5.605  -8.614
  121   3HD1  ILE  18          3HD1      ILE  18   8.143  -6.159  -6.981
  122    H    SER  19           H        SER  19  11.390  -5.854  -9.963
  123    HA   SER  19           HA       SER  19  12.998  -7.100 -11.535
  124   1HB   SER  19          1HB       SER  19  11.707  -9.202  -9.834
  125   2HB   SER  19          2HB       SER  19  11.828  -9.560 -11.545
  126    HG   SER  19           HG       SER  19  14.126  -8.564 -10.139
  127    H    CYS  20           H        CYS  20  11.367  -5.286 -12.250
  128    HA   CYS  20           HA       CYS  20   9.478  -6.570 -13.985
  129   1HB   CYS  20          1HB       CYS  20   8.611  -5.043 -11.594
  130   2HB   CYS  20          2HB       CYS  20   7.789  -4.664 -13.094
  131    H    ARG  21           H        ARG  21   8.173  -4.326 -14.979
  132    HA   ARG  21           HA       ARG  21  10.438  -2.834 -15.963
  133   1HB   ARG  21          1HB       ARG  21   7.571  -3.204 -16.931
  134   2HB   ARG  21          2HB       ARG  21   8.607  -1.974 -17.626
  135   1HG   ARG  21          1HG       ARG  21  10.239  -4.258 -17.632
  136   2HG   ARG  21          2HG       ARG  21   8.654  -4.900 -18.016
  137   1HD   ARG  21          1HD       ARG  21   8.910  -4.166 -20.148
  138   2HD   ARG  21          2HD       ARG  21   8.886  -2.516 -19.556
  139    HE   ARG  21           HE       ARG  21  11.504  -3.689 -19.167
  140   1HH1  ARG  21          2HH2      ARG  21   9.415  -2.295 -21.667
  141   2HH1  ARG  21          1HH2      ARG  21  10.738  -1.797 -22.669
  142   1HH2  ARG  21          HH1       ARG  21  12.982  -2.241 -21.955
  143    H    ALA  22           H        ALA  22   6.973  -2.161 -15.037
  144    HA   ALA  22           HA       ALA  22   7.667  -0.125 -13.227
  145   1HB   ALA  22          1HB       ALA  22   6.713   1.785 -14.596
  146   2HB   ALA  22          2HB       ALA  22   8.298   1.187 -15.144
  147   3HB   ALA  22          3HB       ALA  22   6.820   0.725 -16.021
  148    H    GLY  23           H        GLY  23   5.782   0.657 -12.108
  149   1HA   GLY  23          1HA       GLY  23   3.251  -0.609 -12.957
  150   2HA   GLY  23          2HA       GLY  23   3.841  -0.757 -11.314
  151    H    TYR  24           H        TYR  24   2.440   0.477 -10.098
  152    HA   TYR  24           HA       TYR  24   2.664   3.242 -10.107
  153   1HB   TYR  24          1HB       TYR  24   0.297   3.708 -10.989
  154   2HB   TYR  24          2HB       TYR  24   1.388   3.126 -12.231
  155    HD1  TYR  24           HD1      TYR  24   0.622   1.452 -13.644
  156    HD2  TYR  24           HD2      TYR  24  -1.030   1.742  -9.708
  157    HE1  TYR  24           HE1      TYR  24  -1.000  -0.430 -14.179
  158    HE2  TYR  24           HE2      TYR  24  -2.646  -0.141 -10.256
  159    HH   TYR  24           HH       TYR  24  -3.572  -1.276 -11.966
  160    H    CYS  25           H        CYS  25   0.199   4.058  -9.083
  161    HA   CYS  25           HA       CYS  25  -0.002   2.291  -6.759
  162   1HB   CYS  25          1HB       CYS  25  -0.737   5.218  -6.889
  163   2HB   CYS  25          2HB       CYS  25  -0.644   4.204  -5.464
  164    H    ASP  26           H        ASP  26  -1.938   1.218  -6.507
  165    HA   ASP  26           HA       ASP  26  -3.826   0.990  -8.302
  166   1HB   ASP  26          1HB       ASP  26  -3.602   0.497  -5.478
  167   2HB   ASP  26          2HB       ASP  26  -5.201   1.158  -5.751
  168    HD2  ASP  26           HD2      ASP  26  -3.185  -1.499  -6.308
  169    H    ALA  27           H        ALA  27  -4.569   2.847  -9.444
  170    HA   ALA  27           HA       ALA  27  -5.259   5.253  -8.119
  171   1HB   ALA  27          1HB       ALA  27  -6.374   5.583 -10.507
  172   2HB   ALA  27          2HB       ALA  27  -4.604   5.581 -10.319
  173   3HB   ALA  27          3HB       ALA  27  -5.440   4.120 -10.900
  174    H    ALA  28           H        ALA  28  -6.731   2.228  -8.128
  175    HA   ALA  28           HA       ALA  28  -9.426   3.373  -8.036
  176   1HB   ALA  28          1HB       ALA  28  -8.593   0.449  -8.098
  177   2HB   ALA  28          2HB       ALA  28 -10.208   1.129  -8.410
  178   3HB   ALA  28          3HB       ALA  28  -8.884   1.419  -9.563
  179    H    THR  29           H        THR  29  -6.861   2.974  -6.019
  180    HA   THR  29           HA       THR  29  -8.628   2.355  -3.749
  181    HB   THR  29           HB       THR  29  -6.731   0.616  -4.648
  182    HG1  THR  29           HG1      THR  29  -6.927  -0.124  -2.443
  183   1HG2  THR  29          1HG2      THR  29  -5.087   2.700  -3.846
  184   2HG2  THR  29          2HG2      THR  29  -5.237   1.766  -2.338
  185   3HG2  THR  29          3HG2      THR  29  -4.612   0.985  -3.810
  186    H    LEU  30           H        LEU  30  -7.942   4.938  -5.032
  187    HA   LEU  30           HA       LEU  30  -7.421   6.981  -4.381
  188   1HB   LEU  30          1HB       LEU  30  -6.989   6.027  -1.566
  189   2HB   LEU  30          2HB       LEU  30  -7.555   7.588  -2.127
  190    HG   LEU  30           HG       LEU  30  -9.132   5.013  -2.389
  191   1HD1  LEU  30          1HD1      LEU  30 -10.440   5.710  -0.496
  192   2HD1  LEU  30          2HD1      LEU  30  -8.725   5.657  -0.022
  193   3HD1  LEU  30          3HD1      LEU  30  -9.509   7.220  -0.349
  194   1HD2  LEU  30          1HD2      LEU  30 -10.548   7.587  -2.436
  195   2HD2  LEU  30          2HD2      LEU  30  -9.438   7.339  -3.806
  196   3HD2  LEU  30          3HD2      LEU  30 -10.723   6.153  -3.476
  197    H    TRP  31           H        TRP  31  -5.396   5.000  -5.301
  198    HA   TRP  31           HA       TRP  31  -3.199   4.774  -5.501
  199   1HB   TRP  31          1HB       TRP  31  -3.361   7.721  -4.876
  200   2HB   TRP  31          2HB       TRP  31  -1.876   6.925  -5.356
  201    HD1  TRP  31           HD1      TRP  31  -1.507   6.653  -7.955
  202    HE1  TRP  31           HE1      TRP  31  -2.869   7.090 -10.173
  203    HE3  TRP  31           HE3      TRP  31  -5.943   7.611  -5.663
  204    HZ2  TRP  31           HZ2      TRP  31  -5.589   7.773 -10.707
  205    HZ3  TRP  31           HZ3      TRP  31  -7.902   8.154  -7.105
  206    HH2  TRP  31           HH2      TRP  31  -7.777   8.243  -9.545
  207    H    LEU  32           H        LEU  32  -2.815   3.280  -3.799
  208    HA   LEU  32           HA       LEU  32  -1.451   4.469  -1.522
  209   1HB   LEU  32          1HB       LEU  32  -3.910   2.758  -1.371
  210   2HB   LEU  32          2HB       LEU  32  -2.705   2.689  -0.101
  211    HG   LEU  32           HG       LEU  32  -4.322   5.099  -0.961
  212   1HD1  LEU  32          1HD1      LEU  32  -5.419   3.351   0.474
  213   2HD1  LEU  32          2HD1      LEU  32  -4.215   3.722   1.732
  214   3HD1  LEU  32          3HD1      LEU  32  -5.348   4.982   1.185
  215   1HD2  LEU  32          1HD2      LEU  32  -3.160   6.239   0.984
  216   2HD2  LEU  32          2HD2      LEU  32  -1.965   4.923   0.920
  217   3HD2  LEU  32          3HD2      LEU  32  -2.187   5.991  -0.486
  218    H    ARG  33           H        ARG  33  -2.494   1.455  -3.240
  219    HA   ARG  33           HA       ARG  33  -0.340  -0.011  -2.209
  220   1HB   ARG  33          1HB       ARG  33  -2.696  -0.550  -3.675
  221   2HB   ARG  33          2HB       ARG  33  -1.407  -1.007  -4.771
  222   1HG   ARG  33          1HG       ARG  33  -0.466  -2.565  -3.181
  223   2HG   ARG  33          2HG       ARG  33  -1.429  -1.921  -1.866
  224   1HD   ARG  33          1HD       ARG  33  -3.051  -3.440  -2.326
  225   2HD   ARG  33          2HD       ARG  33  -3.290  -2.699  -3.895
  226    HE   ARG  33           HE       ARG  33  -0.966  -4.403  -3.971
  227   1HH1  ARG  33          2HH2      ARG  33  -4.505  -4.563  -3.903
  228   2HH1  ARG  33          1HH2      ARG  33  -4.575  -6.096  -4.706
  229   1HH2  ARG  33          HH1       ARG  33  -2.537  -7.172  -5.360
  230    H    CYS  34           H        CYS  34   1.098  -1.274  -4.050
  231    HA   CYS  34           HA       CYS  34   1.995   0.706  -5.995
  232   1HB   CYS  34          1HB       CYS  34   3.515  -0.316  -3.693
  233   2HB   CYS  34          2HB       CYS  34   4.355  -0.458  -5.224
  234    H    THR  35           H        THR  35   0.895  -0.635  -7.579
  235    HA   THR  35           HA       THR  35   1.567  -3.433  -7.734
  236    HB   THR  35           HB       THR  35  -0.548  -1.734  -8.556
  237    HG1  THR  35           HG1      THR  35  -1.346  -3.852  -9.093
  238   1HG2  THR  35          1HG2      THR  35  -0.747  -2.336 -10.974
  239   2HG2  THR  35          2HG2      THR  35   0.655  -1.275 -10.702
  240   3HG2  THR  35          3HG2      THR  35   0.894  -3.024 -10.933
  241    H    CYS  36           H        CYS  36   2.422  -4.415  -9.764
  242    HA   CYS  36           HA       CYS  36   4.370  -2.620 -11.009
  243   1HB   CYS  36          1HB       CYS  36   4.858  -5.382  -9.891
  244   2HB   CYS  36          2HB       CYS  36   5.921  -4.634 -11.066
  245    H    THR  37           H        THR  37   3.979  -2.571 -13.194
  246    HA   THR  37           HA       THR  37   2.685  -4.941 -14.372
  247    HB   THR  37           HB       THR  37   1.486  -3.424 -15.795
  248    HG1  THR  37           HG1      THR  37   3.445  -1.518 -14.719
  249   1HG2  THR  37          1HG2      THR  37   0.621  -1.585 -14.290
  250   2HG2  THR  37          2HG2      THR  37   0.585  -3.181 -13.501
  251   3HG2  THR  37          3HG2      THR  37   1.872  -2.018 -13.100
  252    H    ASP  38           H        ASP  38   3.338  -5.624 -16.479
  253    HA   ASP  38           HA       ASP  38   4.798  -6.130 -17.997
  254   1HB   ASP  38          1HB       ASP  38   5.539  -3.241 -17.496
  255   2HB   ASP  38          2HB       ASP  38   6.585  -4.201 -18.524
  256    HD2  ASP  38           HD2      ASP  38   5.763  -2.400 -19.859
  257    H    CYS  39           H        CYS  39   6.356  -7.674 -17.486
  258    HA   CYS  39           HA       CYS  39   8.626  -6.789 -15.887
  259   1HB   CYS  39          1HB       CYS  39   7.186  -9.393 -15.360
  260   2HB   CYS  39          2HB       CYS  39   8.583  -8.764 -14.510
  261    H    ASN  40           H        ASN  40  10.587  -7.983 -16.404
  262    HA   ASN  40           HA       ASN  40  10.394  -9.215 -19.003
  263   1HB   ASN  40          1HB       ASN  40  12.514  -7.861 -17.385
  264   2HB   ASN  40          2HB       ASN  40  13.091  -9.212 -18.340
  265   1HD2  ASN  40          1HD2      ASN  40  14.191  -8.142 -19.867
  266   2HD2  ASN  40          2HD2      ASN  40  13.505  -7.054 -21.027
  267    H    GLY  41           H        GLY  41   9.334 -11.206 -17.995
  268   1HA   GLY  41          1HA       GLY  41  11.073 -13.337 -17.705
  269   2HA   GLY  41          2HA       GLY  41  10.725 -12.780 -16.080
  270    H    LYS  42           H        LYS  42   8.722 -12.985 -19.111
  271    HA   LYS  42           HA       LYS  42   7.118 -15.068 -17.990
  272   1HB   LYS  42          1HB       LYS  42   5.037 -13.846 -17.833
  273   2HB   LYS  42          2HB       LYS  42   6.224 -13.134 -16.758
  274   1HG   LYS  42          1HG       LYS  42   5.771 -11.141 -17.748
  275   2HG   LYS  42          2HG       LYS  42   6.629 -11.736 -19.155
  276   1HD   LYS  42          1HD       LYS  42   4.184 -12.922 -19.552
  277   2HD   LYS  42          2HD       LYS  42   3.685 -11.478 -18.693
  278   1HE   LYS  42          1HE       LYS  42   5.594 -10.541 -20.553
  279   2HE   LYS  42          2HE       LYS  42   4.694 -11.752 -21.444
  280   1HZ   LYS  42          1HZ       LYS  42   3.330  -9.938 -21.715
  281   2HZ   LYS  42          2HZ       LYS  42   2.669 -10.489 -20.332
  282    H    LYS  43           H        LYS  43   5.452 -15.802 -19.574
  283    HA   LYS  43           HA       LYS  43   6.441 -15.261 -22.265
  284   1HB   LYS  43          1HB       LYS  43   5.005 -17.555 -20.958
  285   2HB   LYS  43          2HB       LYS  43   4.901 -17.343 -22.693
  286   1HG   LYS  43          1HG       LYS  43   7.645 -17.113 -21.508
  287   2HG   LYS  43          2HG       LYS  43   6.923 -18.709 -21.465
  288   1HD   LYS  43          1HD       LYS  43   6.653 -17.258 -24.064
  289   2HD   LYS  43          2HD       LYS  43   8.290 -17.702 -23.623
  290   1HE   LYS  43          1HE       LYS  43   7.872 -19.817 -24.324
  291   2HE   LYS  43          2HE       LYS  43   6.702 -19.992 -23.031
  292   1HZ   LYS  43          1HZ       LYS  43   5.436 -18.517 -25.012
  293   2HZ   LYS  43          2HZ       LYS  43   6.202 -19.715 -25.806
  Start of MODEL    9
    1   1H    GLY   1           H        GLY   1   1.513   0.731   2.337
    2   1HA   GLY   1          1HA       GLY   1   1.865  -0.560   0.238
    3   2HA   GLY   1          2HA       GLY   1   2.132   1.165   0.072
    4    H    PHE   2           H        PHE   2   4.055   1.828  -0.797
    5    HA   PHE   2           HA       PHE   2   6.506   0.637  -0.160
    6   1HB   PHE   2          1HB       PHE   2   4.918  -0.314  -2.546
    7   2HB   PHE   2          2HB       PHE   2   6.609   0.018  -2.866
    8    HD1  PHE   2           HD1      PHE   2   8.220  -1.007  -0.927
    9    HD2  PHE   2           HD2      PHE   2   4.401  -2.492  -2.032
   10    HE1  PHE   2           HE1      PHE   2   8.836  -3.266  -0.022
   11    HE2  PHE   2           HE2      PHE   2   5.017  -4.750  -1.125
   12    HZ   PHE   2           HZ       PHE   2   7.227  -5.110  -0.130
   13    H    GLY   3           H        GLY   3   5.259   3.273  -0.327
   14   1HA   GLY   3          1HA       GLY   3   6.972   5.041  -0.954
   15   2HA   GLY   3          2HA       GLY   3   6.718   4.477  -2.593
   16    H    CYS   4           H        CYS   4   3.805   3.858  -2.131
   17    HA   CYS   4           HA       CYS   4   2.894   6.614  -2.361
   18   1HB   CYS   4          1HB       CYS   4   2.273   4.159  -3.718
   19   2HB   CYS   4          2HB       CYS   4   0.816   4.789  -2.978
   20    HA   PRO   5           HA       PRO   5   0.853   7.272  -2.447
   21   1HB   PRO   5          1HB       PRO   5  -0.314   9.383  -1.163
   22   2HB   PRO   5          2HB       PRO   5  -1.224   8.027  -1.799
   23   1HG   PRO   5          1HG       PRO   5  -0.539   8.646   1.010
   24   2HG   PRO   5          2HG       PRO   5  -1.774   7.568   0.393
   25   1HD   PRO   5          1HD       PRO   5   0.763   6.817   1.502
   26   2HD   PRO   5          2HD       PRO   5  -0.423   5.748   0.780
   27    H    GLY   6           H        GLY   6   1.654   9.336  -3.279
   28   1HA   GLY   6          1HA       GLY   6   3.049  11.244  -2.208
   29   2HA   GLY   6          2HA       GLY   6   4.167   9.935  -1.881
   30    H    ASN   7           H        ASN   7   3.776   8.329  -4.231
   31    HA   ASN   7           HA       ASN   7   3.896   9.859  -6.549
   32   1HB   ASN   7          1HB       ASN   7   6.469   9.125  -6.915
   33   2HB   ASN   7          2HB       ASN   7   6.057  10.667  -6.191
   34   1HD2  ASN   7          1HD2      ASN   7   8.191  10.503  -5.266
   35   2HD2  ASN   7          2HD2      ASN   7   8.444   9.634  -3.788
   36    H    GLN   8           H        GLN   8   3.643   8.391  -8.299
   37    HA   GLN   8           HA       GLN   8   3.568   5.623  -7.546
   38   1HB   GLN   8          1HB       GLN   8   2.802   6.990 -10.164
   39   2HB   GLN   8          2HB       GLN   8   2.479   5.314  -9.767
   40   1HG   GLN   8          1HG       GLN   8   0.701   5.841  -8.424
   41   2HG   GLN   8          2HG       GLN   8   1.539   7.187  -7.677
   42   1HE2  GLN   8          1HE2      GLN   8   0.894   9.149  -8.136
   43   2HE2  GLN   8          2HE2      GLN   8  -0.064   9.647  -9.491
   44    H    LEU   9           H        LEU   9   5.938   7.721  -8.623
   45    HA   LEU   9           HA       LEU   9   7.125   6.009 -10.597
   46   1HB   LEU   9          1HB       LEU   9   8.742   7.674 -10.838
   47   2HB   LEU   9          2HB       LEU   9   7.224   8.513 -10.586
   48    HG   LEU   9           HG       LEU   9   8.587   8.103  -8.058
   49   1HD1  LEU   9          1HD1      LEU   9  10.716   8.396  -8.634
   50   2HD1  LEU   9          2HD1      LEU   9  10.287   8.785 -10.316
   51   3HD1  LEU   9          3HD1      LEU   9  10.278  10.063  -9.078
   52   1HD2  LEU   9          1HD2      LEU   9   6.748   9.782  -8.854
   53   2HD2  LEU   9          2HD2      LEU   9   7.961  10.283  -7.652
   54   3HD2  LEU   9          3HD2      LEU   9   8.140  10.771  -9.355
   55    H    LYS  10           H        LYS  10   7.192   6.444  -7.099
   56    HA   LYS  10           HA       LYS  10   9.703   5.192  -6.700
   57   1HB   LYS  10          1HB       LYS  10   7.849   6.611  -5.156
   58   2HB   LYS  10          2HB       LYS  10   7.845   5.001  -4.464
   59   1HG   LYS  10          1HG       LYS  10  10.545   5.361  -4.830
   60   2HG   LYS  10          2HG       LYS  10  10.048   7.019  -4.563
   61   1HD   LYS  10          1HD       LYS  10   8.893   6.328  -2.448
   62   2HD   LYS  10          2HD       LYS  10   9.406   4.674  -2.713
   63   1HE   LYS  10          1HE       LYS  10  11.207   5.276  -1.425
   64   2HE   LYS  10          2HE       LYS  10  11.826   5.945  -2.922
   65   1HZ   LYS  10          1HZ       LYS  10  10.223   7.489  -0.951
   66   2HZ   LYS  10          2HZ       LYS  10  11.844   7.575  -1.091
   67    H    CYS  11           H        CYS  11   6.370   4.094  -7.209
   68    HA   CYS  11           HA       CYS  11   6.823   1.484  -6.211
   69   1HB   CYS  11          1HB       CYS  11   4.679   2.562  -8.053
   70   2HB   CYS  11          2HB       CYS  11   4.685   0.952  -7.361
   71    H    ASN  12           H        ASN  12   7.163   3.207  -9.328
   72    HA   ASN  12           HA       ASN  12   7.410   0.922 -10.905
   73   1HB   ASN  12          1HB       ASN  12   8.564   3.731 -11.321
   74   2HB   ASN  12          2HB       ASN  12   8.434   2.514 -12.574
   75   1HD2  ASN  12          1HD2      ASN  12   7.285   4.956 -12.882
   76   2HD2  ASN  12          2HD2      ASN  12   5.556   4.848 -12.846
   77    H    ASN  13           H        ASN  13   9.821   3.255  -9.475
   78    HA   ASN  13           HA       ASN  13  12.084   2.063 -10.398
   79   1HB   ASN  13          1HB       ASN  13  11.863   3.244  -7.591
   80   2HB   ASN  13          2HB       ASN  13  13.247   3.298  -8.665
   81   1HD2  ASN  13          1HD2      ASN  13  11.547   5.370  -7.311
   82   2HD2  ASN  13          2HD2      ASN  13  11.086   6.489  -8.551
   83    H    HIS  14           H        HIS  14  10.068   1.384  -7.478
   84    HA   HIS  14           HA       HIS  14  11.830  -0.461  -6.320
   85   1HB   HIS  14          1HB       HIS  14  10.182   0.569  -4.959
   86   2HB   HIS  14          2HB       HIS  14   8.876   0.083  -6.022
   87    HD1  HIS  14           HD1      HIS  14  11.169  -1.247  -3.336
   88    HD2  HIS  14           HD2      HIS  14   7.927  -2.549  -5.657
   89    HE1  HIS  14           HE1      HIS  14  10.385  -3.444  -2.301
   90    H    CYS  15           H        CYS  15   9.129  -0.745  -8.679
   91    HA   CYS  15           HA       CYS  15   9.040  -3.533  -8.678
   92   1HB   CYS  15          1HB       CYS  15   8.261  -1.504 -10.777
   93   2HB   CYS  15          2HB       CYS  15   7.960  -3.223 -10.936
   94    H    LYS  16           H        LYS  16  11.256  -1.150 -10.025
   95    HA   LYS  16           HA       LYS  16  12.334  -2.926 -12.004
   96   1HB   LYS  16          1HB       LYS  16  12.653  -0.829 -12.778
   97   2HB   LYS  16          2HB       LYS  16  12.669  -0.113 -11.178
   98   1HG   LYS  16          1HG       LYS  16  14.998  -1.880 -11.805
   99   2HG   LYS  16          2HG       LYS  16  14.902  -0.408 -12.752
  100   1HD   LYS  16          1HD       LYS  16  14.528   0.821 -10.482
  101   2HD   LYS  16          2HD       LYS  16  15.059  -0.668  -9.724
  102   1HE   LYS  16          1HE       LYS  16  17.243  -0.528 -10.683
  103   2HE   LYS  16          2HE       LYS  16  16.732   0.612 -11.913
  104   1HZ   LYS  16          1HZ       LYS  16  17.870   1.297  -9.543
  105   2HZ   LYS  16          2HZ       LYS  16  17.039   2.326 -10.494
  106    H    SER  17           H        SER  17  13.048  -1.903  -8.649
  107    HA   SER  17           HA       SER  17  15.591  -3.056  -8.582
  108   1HB   SER  17          1HB       SER  17  14.901  -1.365  -6.953
  109   2HB   SER  17          2HB       SER  17  13.602  -2.386  -6.370
  110    HG   SER  17           HG       SER  17  15.548  -2.412  -5.007
  111    H    ILE  18           H        ILE  18  12.272  -4.245  -7.888
  112    HA   ILE  18           HA       ILE  18  13.160  -6.713  -6.787
  113    HB   ILE  18           HB       ILE  18  10.827  -7.323  -6.841
  114   1HG1  ILE  18          1HG1      ILE  18  10.509  -4.892  -8.613
  115   2HG1  ILE  18          2HG1      ILE  18  10.111  -6.559  -8.984
  116   1HG2  ILE  18          1HG2      ILE  18  11.256  -4.444  -5.994
  117   2HG2  ILE  18          2HG2      ILE  18   9.913  -5.491  -5.476
  118   3HG2  ILE  18          3HG2      ILE  18  11.585  -5.900  -5.023
  119   1HD1  ILE  18          1HD1      ILE  18   8.705  -4.688  -7.043
  120   2HD1  ILE  18          2HD1      ILE  18   8.022  -5.542  -8.448
  121   3HD1  ILE  18          3HD1      ILE  18   8.464  -6.450  -6.982
  122    H    SER  19           H        SER  19  11.613  -5.793  -9.946
  123    HA   SER  19           HA       SER  19  13.152  -6.841 -11.704
  124   1HB   SER  19          1HB       SER  19  13.606  -8.963 -10.854
  125   2HB   SER  19          2HB       SER  19  12.014  -9.145 -10.147
  126    HG   SER  19           HG       SER  19  11.152  -9.761 -12.097
  127    H    CYS  20           H        CYS  20  11.493  -5.086 -12.309
  128    HA   CYS  20           HA       CYS  20   9.482  -6.336 -13.928
  129   1HB   CYS  20          1HB       CYS  20   8.793  -4.960 -11.419
  130   2HB   CYS  20          2HB       CYS  20   7.925  -4.369 -12.822
  131    H    ARG  21           H        ARG  21   8.233  -4.313 -15.084
  132    HA   ARG  21           HA       ARG  21  10.394  -2.710 -16.061
  133   1HB   ARG  21          1HB       ARG  21   7.540  -3.260 -16.929
  134   2HB   ARG  21          2HB       ARG  21   8.373  -1.868 -17.592
  135   1HG   ARG  21          1HG       ARG  21   9.886  -4.462 -17.603
  136   2HG   ARG  21          2HG       ARG  21   8.524  -4.348 -18.700
  137   1HD   ARG  21          1HD       ARG  21  10.058  -3.376 -20.110
  138   2HD   ARG  21          2HD       ARG  21   9.707  -1.926 -19.192
  139    HE   ARG  21           HE       ARG  21  11.812  -3.607 -18.012
  140   1HH1  ARG  21          2HH2      ARG  21  11.111  -0.930 -20.225
  141   2HH1  ARG  21          1HH2      ARG  21  12.712  -0.273 -20.136
  142   1HH2  ARG  21          HH1       ARG  21  14.348  -1.354 -18.759
  143    H    ALA  22           H        ALA  22   6.979  -2.128 -14.915
  144    HA   ALA  22           HA       ALA  22   7.680  -0.078 -13.161
  145   1HB   ALA  22          1HB       ALA  22   7.172   1.907 -14.343
  146   2HB   ALA  22          2HB       ALA  22   8.201   0.982 -15.462
  147   3HB   ALA  22          3HB       ALA  22   6.437   1.016 -15.698
  148    H    GLY  23           H        GLY  23   5.818   0.674 -11.999
  149   1HA   GLY  23          1HA       GLY  23   3.280  -0.599 -12.825
  150   2HA   GLY  23          2HA       GLY  23   3.886  -0.714 -11.185
  151    H    TYR  24           H        TYR  24   2.429   0.511 -10.009
  152    HA   TYR  24           HA       TYR  24   2.646   3.278 -10.029
  153   1HB   TYR  24          1HB       TYR  24   0.311   3.747 -10.966
  154   2HB   TYR  24          2HB       TYR  24   1.403   3.115 -12.182
  155    HD1  TYR  24           HD1      TYR  24  -1.134   1.916  -9.691
  156    HD2  TYR  24           HD2      TYR  24   0.697   1.341 -13.515
  157    HE1  TYR  24           HE1      TYR  24  -2.778   0.046 -10.205
  158    HE2  TYR  24           HE2      TYR  24  -0.954  -0.527 -14.016
  159    HH   TYR  24           HH       TYR  24  -2.323  -2.180 -12.469
  160    H    CYS  25           H        CYS  25   0.151   4.083  -9.057
  161    HA   CYS  25           HA       CYS  25  -0.104   2.306  -6.742
  162   1HB   CYS  25          1HB       CYS  25  -0.773   5.250  -6.828
  163   2HB   CYS  25          2HB       CYS  25  -0.690   4.208  -5.420
  164    H    ASP  26           H        ASP  26  -2.010   1.169  -6.733
  165    HA   ASP  26           HA       ASP  26  -3.894   1.132  -8.523
  166   1HB   ASP  26          1HB       ASP  26  -3.808   0.588  -5.629
  167   2HB   ASP  26          2HB       ASP  26  -5.430   0.984  -6.160
  168    HD2  ASP  26           HD2      ASP  26  -6.156  -1.783  -7.612
  169    H    ALA  27           H        ALA  27  -4.599   3.093  -9.508
  170    HA   ALA  27           HA       ALA  27  -5.237   5.405  -8.040
  171   1HB   ALA  27          1HB       ALA  27  -6.369   5.997 -10.293
  172   2HB   ALA  27          2HB       ALA  27  -4.616   5.687 -10.303
  173   3HB   ALA  27          3HB       ALA  27  -5.745   4.429 -10.862
  174    H    ALA  28           H        ALA  28  -6.802   2.394  -8.263
  175    HA   ALA  28           HA       ALA  28  -9.461   3.560  -7.976
  176   1HB   ALA  28          1HB       ALA  28  -9.870   1.761  -9.285
  177   2HB   ALA  28          2HB       ALA  28  -8.308   1.006  -8.885
  178   3HB   ALA  28          3HB       ALA  28  -9.699   0.805  -7.793
  179    H    THR  29           H        THR  29  -6.797   2.986  -6.060
  180    HA   THR  29           HA       THR  29  -8.509   2.397  -3.735
  181    HB   THR  29           HB       THR  29  -6.724   0.626  -4.672
  182    HG1  THR  29           HG1      THR  29  -7.936   0.476  -2.664
  183   1HG2  THR  29          1HG2      THR  29  -4.725   2.056  -4.636
  184   2HG2  THR  29          2HG2      THR  29  -5.092   2.587  -2.978
  185   3HG2  THR  29          3HG2      THR  29  -4.604   0.903  -3.286
  186    H    LEU  30           H        LEU  30  -7.265   4.897  -5.280
  187    HA   LEU  30           HA       LEU  30  -6.878   6.967  -4.550
  188   1HB   LEU  30          1HB       LEU  30  -6.518   5.985  -1.730
  189   2HB   LEU  30          2HB       LEU  30  -6.941   7.594  -2.282
  190    HG   LEU  30           HG       LEU  30  -8.710   5.138  -2.443
  191   1HD1  LEU  30          1HD1      LEU  30  -9.433   5.628  -0.405
  192   2HD1  LEU  30          2HD1      LEU  30  -8.173   6.879  -0.284
  193   3HD1  LEU  30          3HD1      LEU  30  -9.792   7.301  -0.893
  194   1HD2  LEU  30          1HD2      LEU  30 -10.408   7.144  -2.919
  195   2HD2  LEU  30          2HD2      LEU  30  -8.941   7.857  -3.629
  196   3HD2  LEU  30          3HD2      LEU  30  -9.540   6.288  -4.215
  197    H    TRP  31           H        TRP  31  -4.948   5.026  -5.558
  198    HA   TRP  31           HA       TRP  31  -2.760   4.672  -5.739
  199   1HB   TRP  31          1HB       TRP  31  -2.744   7.610  -5.032
  200   2HB   TRP  31          2HB       TRP  31  -1.350   6.736  -5.634
  201    HD1  TRP  31           HD1      TRP  31  -1.170   6.516  -8.261
  202    HE1  TRP  31           HE1      TRP  31  -2.629   7.139 -10.369
  203    HE3  TRP  31           HE3      TRP  31  -5.361   7.737  -5.653
  204    HZ2  TRP  31           HZ2      TRP  31  -5.312   8.052 -10.702
  205    HZ3  TRP  31           HZ3      TRP  31  -7.356   8.485  -6.946
  206    HH2  TRP  31           HH2      TRP  31  -7.378   8.652  -9.385
  207    H    LEU  32           H        LEU  32  -3.434   3.402  -3.549
  208    HA   LEU  32           HA       LEU  32  -1.662   4.406  -1.432
  209   1HB   LEU  32          1HB       LEU  32  -4.177   2.749  -1.321
  210   2HB   LEU  32          2HB       LEU  32  -3.060   2.862   0.025
  211    HG   LEU  32           HG       LEU  32  -4.986   4.859  -1.031
  212   1HD1  LEU  32          1HD1      LEU  32  -4.131   5.086   1.743
  213   2HD1  LEU  32          2HD1      LEU  32  -5.748   4.799   1.059
  214   3HD1  LEU  32          3HD1      LEU  32  -4.640   3.432   1.325
  215   1HD2  LEU  32          1HD2      LEU  32  -2.283   5.663   0.069
  216   2HD2  LEU  32          2HD2      LEU  32  -2.991   6.088  -1.508
  217   3HD2  LEU  32          3HD2      LEU  32  -3.696   6.743  -0.010
  218    H    ARG  33           H        ARG  33  -2.603   1.671  -3.527
  219    HA   ARG  33           HA       ARG  33  -0.692  -0.030  -2.265
  220   1HB   ARG  33          1HB       ARG  33  -2.931  -0.320  -4.097
  221   2HB   ARG  33          2HB       ARG  33  -1.529  -1.103  -4.799
  222   1HG   ARG  33          1HG       ARG  33  -1.990  -1.618  -1.883
  223   2HG   ARG  33          2HG       ARG  33  -3.175  -2.306  -2.977
  224   1HD   ARG  33          1HD       ARG  33  -1.691  -4.036  -3.184
  225   2HD   ARG  33          2HD       ARG  33  -0.830  -2.971  -4.278
  226    HE   ARG  33           HE       ARG  33   0.822  -2.628  -2.638
  227   1HH1  ARG  33          2HH2      ARG  33  -1.991  -4.200  -1.163
  228   2HH1  ARG  33          1HH2      ARG  33  -1.181  -4.522   0.334
  229   1HH2  ARG  33          HH1       ARG  33   1.100  -3.840   0.605
  230    H    CYS  34           H        CYS  34   0.771  -1.346  -4.045
  231    HA   CYS  34           HA       CYS  34   1.902   0.621  -5.882
  232   1HB   CYS  34          1HB       CYS  34   3.226  -0.636  -3.565
  233   2HB   CYS  34          2HB       CYS  34   4.131  -0.722  -5.064
  234    H    THR  35           H        THR  35   0.773  -0.575  -7.564
  235    HA   THR  35           HA       THR  35   1.270  -3.408  -7.805
  236    HB   THR  35           HB       THR  35  -0.690  -1.513  -8.654
  237    HG1  THR  35           HG1      THR  35  -1.669  -3.547  -9.121
  238   1HG2  THR  35          1HG2      THR  35   0.531  -1.149 -10.775
  239   2HG2  THR  35          2HG2      THR  35   0.766  -2.903 -10.965
  240   3HG2  THR  35          3HG2      THR  35  -0.867  -2.207 -11.081
  241    H    CYS  36           H        CYS  36   2.152  -4.372  -9.817
  242    HA   CYS  36           HA       CYS  36   4.226  -2.647 -10.951
  243   1HB   CYS  36          1HB       CYS  36   4.551  -5.488  -9.971
  244   2HB   CYS  36          2HB       CYS  36   5.711  -4.671 -10.999
  245    H    THR  37           H        THR  37   3.952  -2.537 -13.153
  246    HA   THR  37           HA       THR  37   2.580  -4.805 -14.440
  247    HB   THR  37           HB       THR  37   1.456  -3.210 -15.825
  248    HG1  THR  37           HG1      THR  37   3.505  -1.427 -14.709
  249   1HG2  THR  37          1HG2      THR  37   1.303  -2.832 -13.026
  250   2HG2  THR  37          2HG2      THR  37   1.580  -1.199 -13.678
  251   3HG2  THR  37          3HG2      THR  37   0.186  -2.155 -14.236
  252    H    ASP  38           H        ASP  38   3.332  -5.559 -16.445
  253    HA   ASP  38           HA       ASP  38   4.829  -6.086 -17.919
  254   1HB   ASP  38          1HB       ASP  38   5.625  -3.188 -17.475
  255   2HB   ASP  38          2HB       ASP  38   6.550  -4.197 -18.569
  256    HD2  ASP  38           HD2      ASP  38   3.948  -2.207 -18.363
  257    H    CYS  39           H        CYS  39   6.553  -7.490 -17.526
  258    HA   CYS  39           HA       CYS  39   8.729  -6.548 -15.862
  259   1HB   CYS  39          1HB       CYS  39   7.348  -9.164 -15.246
  260   2HB   CYS  39          2HB       CYS  39   8.719  -8.462 -14.408
  261    H    ASN  40           H        ASN  40  10.707  -7.792 -16.275
  262    HA   ASN  40           HA       ASN  40  10.747  -8.795 -18.914
  263   1HB   ASN  40          1HB       ASN  40  12.746  -8.280 -16.719
  264   2HB   ASN  40          2HB       ASN  40  13.222  -9.437 -17.946
  265   1HD2  ASN  40          1HD2      ASN  40  13.976  -6.587 -17.208
  266   2HD2  ASN  40          2HD2      ASN  40  13.955  -5.708 -18.700
  267    H    GLY  41           H        GLY  41   9.075 -10.588 -18.268
  268   1HA   GLY  41          1HA       GLY  41  10.372 -12.856 -16.902
  269   2HA   GLY  41          2HA       GLY  41   8.649 -12.612 -17.108
  270    H    LYS  42           H        LYS  42  11.469 -14.125 -18.366
  271    HA   LYS  42           HA       LYS  42  11.807 -15.480 -20.076
  272   1HB   LYS  42          1HB       LYS  42   9.755 -16.584 -19.507
  273   2HB   LYS  42          2HB       LYS  42   8.791 -15.352 -20.295
  274   1HG   LYS  42          1HG       LYS  42   9.536 -16.014 -22.489
  275   2HG   LYS  42          2HG       LYS  42  10.856 -16.967 -21.841
  276   1HD   LYS  42          1HD       LYS  42   8.543 -18.049 -20.621
  277   2HD   LYS  42          2HD       LYS  42   8.056 -17.732 -22.274
  278   1HE   LYS  42          1HE       LYS  42  10.646 -18.855 -22.506
  279   2HE   LYS  42          2HE       LYS  42   9.875 -19.793 -21.241
  280   1HZ   LYS  42          1HZ       LYS  42   7.960 -20.094 -22.791
  281   2HZ   LYS  42          2HZ       LYS  42   8.793 -19.341 -23.971
  282    H    LYS  43           H        LYS  43  12.222 -15.435 -22.377
  283    HA   LYS  43           HA       LYS  43  12.240 -12.746 -23.364
  284   1HB   LYS  43          1HB       LYS  43  13.871 -14.966 -23.640
  285   2HB   LYS  43          2HB       LYS  43  13.082 -14.872 -25.202
  286   1HG   LYS  43          1HG       LYS  43  13.719 -12.450 -25.367
  287   2HG   LYS  43          2HG       LYS  43  14.530 -12.563 -23.818
  288   1HD   LYS  43          1HD       LYS  43  15.278 -14.513 -26.009
  289   2HD   LYS  43          2HD       LYS  43  15.893 -12.874 -26.087
  290   1HE   LYS  43          1HE       LYS  43  17.068 -13.086 -24.007
  291   2HE   LYS  43          2HE       LYS  43  16.153 -14.503 -23.532
  292   1HZ   LYS  43          1HZ       LYS  43  17.912 -15.617 -24.386
  293   2HZ   LYS  43          2HZ       LYS  43  17.294 -15.299 -25.859
  Start of MODEL   10
    1   1H    GLY   1           H        GLY   1   1.103  -0.242  -0.186
    2   1HA   GLY   1          1HA       GLY   1   2.238   1.619  -1.962
    3   2HA   GLY   1          2HA       GLY   1   1.537   1.953  -0.392
    4    H    PHE   2           H        PHE   2   4.539   0.808  -2.036
    5    HA   PHE   2           HA       PHE   2   6.148   0.929   0.264
    6   1HB   PHE   2          1HB       PHE   2   6.284   0.143  -2.447
    7   2HB   PHE   2          2HB       PHE   2   7.364   1.522  -2.404
    8    HD1  PHE   2           HD1      PHE   2   9.466   1.420  -1.229
    9    HD2  PHE   2           HD2      PHE   2   6.790  -1.872  -1.132
   10    HE1  PHE   2           HE1      PHE   2  11.292  -0.036  -0.311
   11    HE2  PHE   2           HE2      PHE   2   8.616  -3.329  -0.214
   12    HZ   PHE   2           HZ       PHE   2  10.845  -2.394   0.186
   13    H    GLY   3           H        GLY   3   5.346   3.291  -2.339
   14   1HA   GLY   3          1HA       GLY   3   6.804   5.344  -0.783
   15   2HA   GLY   3          2HA       GLY   3   6.709   5.320  -2.532
   16    H    CYS   4           H        CYS   4   3.866   4.390  -2.604
   17    HA   CYS   4           HA       CYS   4   2.682   6.951  -2.484
   18   1HB   CYS   4          1HB       CYS   4   1.852   4.219  -3.291
   19   2HB   CYS   4          2HB       CYS   4   0.567   5.310  -2.812
   20    HA   PRO   5           HA       PRO   5   0.450   7.252  -2.410
   21   1HB   PRO   5          1HB       PRO   5  -0.914   9.302  -1.225
   22   2HB   PRO   5          2HB       PRO   5  -1.638   7.745  -1.574
   23   1HG   PRO   5          1HG       PRO   5  -0.754   8.837   1.027
   24   2HG   PRO   5          2HG       PRO   5  -1.842   7.501   0.711
   25   1HD   PRO   5          1HD       PRO   5   0.898   7.322   1.540
   26   2HD   PRO   5          2HD       PRO   5  -0.156   5.990   1.112
   27    H    GLY   6           H        GLY   6   0.831   9.228  -3.609
   28   1HA   GLY   6          1HA       GLY   6   2.021  11.103  -4.057
   29   2HA   GLY   6          2HA       GLY   6   2.492  11.210  -2.372
   30    H    ASN   7           H        ASN   7   2.975   8.616  -4.877
   31    HA   ASN   7           HA       ASN   7   5.584   9.160  -5.417
   32   1HB   ASN   7          1HB       ASN   7   5.477   8.338  -2.772
   33   2HB   ASN   7          2HB       ASN   7   5.727   6.802  -3.578
   34   1HD2  ASN   7          1HD2      ASN   7   7.536   8.124  -1.840
   35   2HD2  ASN   7          2HD2      ASN   7   8.987   8.490  -2.711
   36    H    GLN   8           H        GLN   8   4.365   8.402  -7.386
   37    HA   GLN   8           HA       GLN   8   3.695   5.601  -7.392
   38   1HB   GLN   8          1HB       GLN   8   2.103   7.154  -8.417
   39   2HB   GLN   8          2HB       GLN   8   3.343   7.800  -9.472
   40   1HG   GLN   8          1HG       GLN   8   3.627   5.387 -10.376
   41   2HG   GLN   8          2HG       GLN   8   2.148   4.998  -9.522
   42   1HE2  GLN   8          1HE2      GLN   8   3.304   5.711 -12.429
   43   2HE2  GLN   8          2HE2      GLN   8   1.968   6.523 -13.175
   44    H    LEU   9           H        LEU   9   6.244   7.804  -8.392
   45    HA   LEU   9           HA       LEU   9   7.324   6.105 -10.405
   46   1HB   LEU   9          1HB       LEU   9   8.990   7.698 -10.629
   47   2HB   LEU   9          2HB       LEU   9   7.558   8.614 -10.204
   48    HG   LEU   9           HG       LEU   9   9.174   7.850  -7.873
   49   1HD1  LEU   9          1HD1      LEU   9  10.424   9.962  -9.601
   50   2HD1  LEU   9          2HD1      LEU   9  11.123   9.022  -8.261
   51   3HD1  LEU   9          3HD1      LEU   9  10.843   8.248  -9.839
   52   1HD2  LEU   9          1HD2      LEU   9   8.506   9.875  -7.053
   53   2HD2  LEU   9          2HD2      LEU   9   8.549  10.668  -8.646
   54   3HD2  LEU   9          3HD2      LEU   9   7.205   9.577  -8.231
   55    H    LYS  10           H        LYS  10   7.457   6.300  -6.895
   56    HA   LYS  10           HA       LYS  10   9.913   4.916  -6.611
   57   1HB   LYS  10          1HB       LYS  10   7.794   5.995  -4.887
   58   2HB   LYS  10          2HB       LYS  10   8.493   4.511  -4.273
   59   1HG   LYS  10          1HG       LYS  10  10.780   5.800  -5.044
   60   2HG   LYS  10          2HG       LYS  10   9.774   7.189  -4.679
   61   1HD   LYS  10          1HD       LYS  10   9.428   6.480  -2.403
   62   2HD   LYS  10          2HD       LYS  10  10.014   4.861  -2.731
   63   1HE   LYS  10          1HE       LYS  10  11.927   5.745  -1.758
   64   2HE   LYS  10          2HE       LYS  10  12.254   6.170  -3.426
   65   1HZ   LYS  10          1HZ       LYS  10  10.959   8.329  -2.796
   66   2HZ   LYS  10          2HZ       LYS  10  11.319   7.927  -1.259
   67    H    CYS  11           H        CYS  11   6.568   4.003  -7.264
   68    HA   CYS  11           HA       CYS  11   6.853   1.322  -6.399
   69   1HB   CYS  11          1HB       CYS  11   4.850   2.541  -8.312
   70   2HB   CYS  11          2HB       CYS  11   4.740   0.948  -7.590
   71    H    ASN  12           H        ASN  12   7.407   3.192  -9.400
   72    HA   ASN  12           HA       ASN  12   7.664   0.938 -11.049
   73   1HB   ASN  12          1HB       ASN  12   7.188   3.096 -12.068
   74   2HB   ASN  12          2HB       ASN  12   8.568   3.847 -11.291
   75   1HD2  ASN  12          1HD2      ASN  12   9.002   4.511 -13.515
   76   2HD2  ASN  12          2HD2      ASN  12   9.922   3.476 -14.555
   77    H    ASN  13           H        ASN  13   9.976   3.221  -9.409
   78    HA   ASN  13           HA       ASN  13  12.287   2.067 -10.345
   79   1HB   ASN  13          1HB       ASN  13  11.940   3.313  -7.574
   80   2HB   ASN  13          2HB       ASN  13  13.403   3.285  -8.539
   81   1HD2  ASN  13          1HD2      ASN  13  11.643   5.446  -7.392
   82   2HD2  ASN  13          2HD2      ASN  13  11.324   6.535  -8.701
   83    H    HIS  14           H        HIS  14  10.034   1.208  -7.720
   84    HA   HIS  14           HA       HIS  14  11.816  -0.527  -6.365
   85   1HB   HIS  14          1HB       HIS  14  10.105   0.318  -5.040
   86   2HB   HIS  14          2HB       HIS  14   8.875   0.064  -6.263
   87    HD1  HIS  14           HD1      HIS  14  10.941  -1.863  -3.715
   88    HD2  HIS  14           HD2      HIS  14   7.561  -2.384  -6.143
   89    HE1  HIS  14           HE1      HIS  14   9.863  -4.054  -2.977
   90    H    CYS  15           H        CYS  15   9.046  -1.032  -8.659
   91    HA   CYS  15           HA       CYS  15   9.296  -3.794  -8.753
   92   1HB   CYS  15          1HB       CYS  15   8.268  -1.935 -10.908
   93   2HB   CYS  15          2HB       CYS  15   7.980  -3.660 -10.812
   94    H    LYS  16           H        LYS  16  11.234  -1.184 -10.043
   95    HA   LYS  16           HA       LYS  16  12.383  -2.775 -12.151
   96   1HB   LYS  16          1HB       LYS  16  12.535  -0.676 -12.920
   97   2HB   LYS  16          2HB       LYS  16  12.364   0.030 -11.326
   98   1HG   LYS  16          1HG       LYS  16  14.959  -1.366 -11.958
   99   2HG   LYS  16          2HG       LYS  16  14.670   0.186 -12.717
  100   1HD   LYS  16          1HD       LYS  16  14.034   1.008 -10.303
  101   2HD   LYS  16          2HD       LYS  16  14.833  -0.451  -9.751
  102   1HE   LYS  16          1HE       LYS  16  16.310   1.641  -9.870
  103   2HE   LYS  16          2HE       LYS  16  16.949   0.221 -10.671
  104   1HZ   LYS  16          1HZ       LYS  16  16.635   2.630 -11.860
  105   2HZ   LYS  16          2HZ       LYS  16  16.778   1.230 -12.677
  106    H    SER  17           H        SER  17  13.088  -1.812  -8.785
  107    HA   SER  17           HA       SER  17  15.754  -2.668  -8.856
  108   1HB   SER  17          1HB       SER  17  14.533  -1.114  -7.155
  109   2HB   SER  17          2HB       SER  17  14.007  -2.591  -6.370
  110    HG   SER  17           HG       SER  17  16.742  -1.756  -6.835
  111    H    ILE  18           H        ILE  18  12.608  -4.240  -8.260
  112    HA   ILE  18           HA       ILE  18  13.799  -6.628  -7.207
  113    HB   ILE  18           HB       ILE  18  11.541  -7.474  -7.172
  114   1HG1  ILE  18          1HG1      ILE  18  10.891  -5.040  -8.843
  115   2HG1  ILE  18          2HG1      ILE  18  10.631  -6.726  -9.241
  116   1HG2  ILE  18          1HG2      ILE  18  11.552  -4.585  -6.264
  117   2HG2  ILE  18          2HG2      ILE  18  10.576  -5.923  -5.613
  118   3HG2  ILE  18          3HG2      ILE  18  12.343  -5.922  -5.395
  119   1HD1  ILE  18          1HD1      ILE  18   9.197  -5.095  -7.105
  120   2HD1  ILE  18          2HD1      ILE  18   8.494  -5.833  -8.564
  121   3HD1  ILE  18          3HD1      ILE  18   9.058  -6.866  -7.228
  122    H    SER  19           H        SER  19  11.991  -5.774 -10.245
  123    HA   SER  19           HA       SER  19  13.521  -6.574 -12.128
  124   1HB   SER  19          1HB       SER  19  12.795  -9.044 -10.586
  125   2HB   SER  19          2HB       SER  19  12.798  -9.178 -12.333
  126    HG   SER  19           HG       SER  19  14.891  -9.648 -11.782
  127    H    CYS  20           H        CYS  20  11.619  -5.022 -12.557
  128    HA   CYS  20           HA       CYS  20   9.555  -6.551 -13.917
  129   1HB   CYS  20          1HB       CYS  20   9.057  -5.289 -11.474
  130   2HB   CYS  20          2HB       CYS  20   8.428  -4.179 -12.676
  131    H    ARG  21           H        ARG  21   8.076  -4.066 -14.576
  132    HA   ARG  21           HA       ARG  21  10.139  -2.802 -16.194
  133   1HB   ARG  21          1HB       ARG  21   8.746  -3.871 -17.775
  134   2HB   ARG  21          2HB       ARG  21   7.300  -3.642 -16.813
  135   1HG   ARG  21          1HG       ARG  21   7.300  -2.156 -18.806
  136   2HG   ARG  21          2HG       ARG  21   7.289  -1.226 -17.321
  137   1HD   ARG  21          1HD       ARG  21   9.548  -0.556 -17.558
  138   2HD   ARG  21          2HD       ARG  21   9.949  -1.907 -18.600
  139    HE   ARG  21           HE       ARG  21   7.961  -0.024 -19.705
  140   1HH1  ARG  21          2HH2      ARG  21  11.378  -0.946 -19.538
  141   2HH1  ARG  21          1HH2      ARG  21  11.804  -0.106 -20.991
  142   1HH2  ARG  21          HH1       ARG  21  10.110   1.082 -22.200
  143    H    ALA  22           H        ALA  22   6.848  -2.318 -14.715
  144    HA   ALA  22           HA       ALA  22   7.567   0.024 -13.386
  145   1HB   ALA  22          1HB       ALA  22   6.826   0.339 -16.213
  146   2HB   ALA  22          2HB       ALA  22   5.794   1.288 -15.115
  147   3HB   ALA  22          3HB       ALA  22   7.560   1.508 -15.089
  148    H    GLY  23           H        GLY  23   6.003   0.460 -11.845
  149   1HA   GLY  23          1HA       GLY  23   3.495  -1.088 -12.116
  150   2HA   GLY  23          2HA       GLY  23   4.332  -0.780 -10.606
  151    H    TYR  24           H        TYR  24   2.072   0.053 -10.028
  152    HA   TYR  24           HA       TYR  24   2.128   2.885 -10.086
  153   1HB   TYR  24          1HB       TYR  24   0.062   3.156 -11.439
  154   2HB   TYR  24          2HB       TYR  24   1.217   2.249 -12.397
  155    HD1  TYR  24           HD1      TYR  24  -1.593   1.665  -9.977
  156    HD2  TYR  24           HD2      TYR  24   0.511   0.294 -13.442
  157    HE1  TYR  24           HE1      TYR  24  -3.299  -0.195 -10.286
  158    HE2  TYR  24           HE2      TYR  24  -1.203  -1.560 -13.740
  159    HH   TYR  24           HH       TYR  24  -2.955  -2.743 -11.659
  160    H    CYS  25           H        CYS  25   0.608   3.808  -8.598
  161    HA   CYS  25           HA       CYS  25  -0.255   1.908  -6.642
  162   1HB   CYS  25          1HB       CYS  25  -0.729   4.891  -6.659
  163   2HB   CYS  25          2HB       CYS  25  -0.800   3.805  -5.285
  164    H    ASP  26           H        ASP  26  -2.296   1.016  -6.543
  165    HA   ASP  26           HA       ASP  26  -4.080   0.985  -8.430
  166   1HB   ASP  26          1HB       ASP  26  -4.079   0.065  -5.909
  167   2HB   ASP  26          2HB       ASP  26  -5.188   1.397  -5.648
  168    HD2  ASP  26           HD2      ASP  26  -7.822  -0.219  -7.208
  169    H    ALA  27           H        ALA  27  -4.775   2.779  -9.641
  170    HA   ALA  27           HA       ALA  27  -5.186   5.319  -8.429
  171   1HB   ALA  27          1HB       ALA  27  -6.199   5.718 -10.815
  172   2HB   ALA  27          2HB       ALA  27  -4.455   5.405 -10.650
  173   3HB   ALA  27          3HB       ALA  27  -5.547   4.099 -11.168
  174    H    ALA  28           H        ALA  28  -6.930   2.481  -8.224
  175    HA   ALA  28           HA       ALA  28  -9.497   3.908  -8.188
  176   1HB   ALA  28          1HB       ALA  28  -9.528   2.066  -9.736
  177   2HB   ALA  28          2HB       ALA  28  -8.773   0.978  -8.547
  178   3HB   ALA  28          3HB       ALA  28 -10.437   1.555  -8.294
  179    H    THR  29           H        THR  29  -7.079   3.560  -6.160
  180    HA   THR  29           HA       THR  29  -8.850   2.958  -3.899
  181    HB   THR  29           HB       THR  29  -6.959   1.155  -4.822
  182    HG1  THR  29           HG1      THR  29  -7.370   0.313  -2.675
  183   1HG2  THR  29          1HG2      THR  29  -5.686   2.240  -2.323
  184   2HG2  THR  29          2HG2      THR  29  -4.945   1.333  -3.664
  185   3HG2  THR  29          3HG2      THR  29  -5.282   3.072  -3.843
  186    H    LEU  30           H        LEU  30  -7.545   5.380  -5.417
  187    HA   LEU  30           HA       LEU  30  -7.061   7.434  -4.703
  188   1HB   LEU  30          1HB       LEU  30  -6.689   6.442  -1.888
  189   2HB   LEU  30          2HB       LEU  30  -7.058   8.065  -2.434
  190    HG   LEU  30           HG       LEU  30  -8.932   5.689  -2.614
  191   1HD1  LEU  30          1HD1      LEU  30 -10.191   7.304  -0.923
  192   2HD1  LEU  30          2HD1      LEU  30  -8.998   6.104  -0.374
  193   3HD1  LEU  30          3HD1      LEU  30  -8.524   7.809  -0.556
  194   1HD2  LEU  30          1HD2      LEU  30  -9.256   7.346  -4.418
  195   2HD2  LEU  30          2HD2      LEU  30 -10.636   7.264  -3.298
  196   3HD2  LEU  30          3HD2      LEU  30  -9.481   8.614  -3.188
  197    H    TRP  31           H        TRP  31  -5.211   5.027  -5.358
  198    HA   TRP  31           HA       TRP  31  -3.043   4.678  -5.641
  199   1HB   TRP  31          1HB       TRP  31  -2.960   7.664  -5.223
  200   2HB   TRP  31          2HB       TRP  31  -1.540   6.722  -5.629
  201    HD1  TRP  31           HD1      TRP  31  -1.264   6.025  -8.190
  202    HE1  TRP  31           HE1      TRP  31  -2.547   6.482 -10.450
  203    HE3  TRP  31           HE3      TRP  31  -5.428   7.991  -6.035
  204    HZ2  TRP  31           HZ2      TRP  31  -5.103   7.591 -11.068
  205    HZ3  TRP  31           HZ3      TRP  31  -7.272   8.736  -7.539
  206    HH2  TRP  31           HH2      TRP  31  -7.157   8.561  -9.974
  207    H    LEU  32           H        LEU  32  -3.439   3.426  -3.529
  208    HA   LEU  32           HA       LEU  32  -1.805   4.623  -1.398
  209   1HB   LEU  32          1HB       LEU  32  -4.325   3.012  -1.319
  210   2HB   LEU  32          2HB       LEU  32  -3.180   2.879   0.000
  211    HG   LEU  32           HG       LEU  32  -5.201   4.645  -0.046
  212   1HD1  LEU  32          1HD1      LEU  32  -2.777   4.278   1.449
  213   2HD1  LEU  32          2HD1      LEU  32  -3.151   6.014   1.333
  214   3HD1  LEU  32          3HD1      LEU  32  -4.359   4.885   1.990
  215   1HD2  LEU  32          1HD2      LEU  32  -2.860   6.256  -1.096
  216   2HD2  LEU  32          2HD2      LEU  32  -4.297   5.804  -2.043
  217   3HD2  LEU  32          3HD2      LEU  32  -4.463   6.866  -0.624
  218    H    ARG  33           H        ARG  33  -2.702   1.667  -3.246
  219    HA   ARG  33           HA       ARG  33  -0.629   0.189  -1.982
  220   1HB   ARG  33          1HB       ARG  33  -2.925  -0.359  -3.670
  221   2HB   ARG  33          2HB       ARG  33  -1.518  -1.096  -4.407
  222   1HG   ARG  33          1HG       ARG  33  -1.767  -2.805  -2.933
  223   2HG   ARG  33          2HG       ARG  33  -1.200  -1.710  -1.688
  224   1HD   ARG  33          1HD       ARG  33  -3.295  -1.454  -0.778
  225   2HD   ARG  33          2HD       ARG  33  -4.072  -1.343  -2.344
  226    HE   ARG  33           HE       ARG  33  -3.150  -4.040  -1.913
  227   1HH1  ARG  33          2HH2      ARG  33  -5.684  -1.792  -0.869
  228   2HH1  ARG  33          1HH2      ARG  33  -6.812  -3.049  -0.483
  229   1HH2  ARG  33          HH1       ARG  33  -6.175  -5.338  -0.805
  230    H    CYS  34           H        CYS  34   0.779  -1.205  -3.794
  231    HA   CYS  34           HA       CYS  34   1.736   0.683  -5.797
  232   1HB   CYS  34          1HB       CYS  34   3.197  -0.203  -3.423
  233   2HB   CYS  34          2HB       CYS  34   4.058  -0.536  -4.912
  234    H    THR  35           H        THR  35   0.642  -0.696  -7.345
  235    HA   THR  35           HA       THR  35   1.286  -3.511  -7.376
  236    HB   THR  35           HB       THR  35  -0.849  -1.876  -8.216
  237    HG1  THR  35           HG1      THR  35  -1.416  -4.102  -9.155
  238   1HG2  THR  35          1HG2      THR  35   0.616  -3.110 -10.609
  239   2HG2  THR  35          2HG2      THR  35  -1.048  -2.481 -10.639
  240   3HG2  THR  35          3HG2      THR  35   0.318  -1.372 -10.367
  241    H    CYS  36           H        CYS  36   2.103  -4.568  -9.394
  242    HA   CYS  36           HA       CYS  36   4.124  -2.846 -10.632
  243   1HB   CYS  36          1HB       CYS  36   4.411  -5.662  -9.589
  244   2HB   CYS  36          2HB       CYS  36   5.508  -4.992 -10.780
  245    H    THR  37           H        THR  37   3.938  -2.793 -12.854
  246    HA   THR  37           HA       THR  37   2.478  -5.017 -14.120
  247    HB   THR  37           HB       THR  37   1.765  -3.034 -15.727
  248    HG1  THR  37           HG1      THR  37   2.811  -1.249 -14.886
  249   1HG2  THR  37          1HG2      THR  37   0.463  -2.459 -13.132
  250   2HG2  THR  37          2HG2      THR  37  -0.260  -3.059 -14.644
  251   3HG2  THR  37          3HG2      THR  37   0.502  -4.198 -13.508
  252    H    ASP  38           H        ASP  38   3.179  -5.706 -16.163
  253    HA   ASP  38           HA       ASP  38   4.632  -6.148 -17.709
  254   1HB   ASP  38          1HB       ASP  38   5.388  -3.242 -17.225
  255   2HB   ASP  38          2HB       ASP  38   6.247  -4.205 -18.410
  256    HD2  ASP  38           HD2      ASP  38   3.509  -2.423 -17.824
  257    H    CYS  39           H        CYS  39   6.647  -7.260 -17.708
  258    HA   CYS  39           HA       CYS  39   8.753  -6.360 -15.986
  259   1HB   CYS  39          1HB       CYS  39   7.553  -9.080 -15.446
  260   2HB   CYS  39          2HB       CYS  39   8.926  -8.348 -14.640
  261    H    ASN  40           H        ASN  40  10.723  -7.862 -16.320
  262    HA   ASN  40           HA       ASN  40  10.546  -8.931 -19.022
  263   1HB   ASN  40          1HB       ASN  40  12.628  -7.406 -17.507
  264   2HB   ASN  40          2HB       ASN  40  13.258  -8.719 -18.482
  265   1HD2  ASN  40          1HD2      ASN  40  12.631  -5.543 -18.480
  266   2HD2  ASN  40          2HD2      ASN  40  12.365  -5.226 -20.162
  267    H    GLY  41           H        GLY  41   9.694 -10.992 -17.991
  268   1HA   GLY  41          1HA       GLY  41  11.916 -12.699 -17.144
  269   2HA   GLY  41          2HA       GLY  41  10.555 -12.537 -16.053
  270    H    LYS  42           H        LYS  42   8.283 -12.836 -17.164
  271    HA   LYS  42           HA       LYS  42   8.154 -14.355 -19.525
  272   1HB   LYS  42          1HB       LYS  42   9.223 -16.089 -18.166
  273   2HB   LYS  42          2HB       LYS  42   7.973 -15.941 -16.948
  274   1HG   LYS  42          1HG       LYS  42   6.814 -16.334 -19.621
  275   2HG   LYS  42          2HG       LYS  42   7.927 -17.626 -19.214
  276   1HD   LYS  42          1HD       LYS  42   6.709 -17.819 -16.957
  277   2HD   LYS  42          2HD       LYS  42   5.508 -16.712 -17.594
  278   1HE   LYS  42          1HE       LYS  42   6.055 -18.876 -19.502
  279   2HE   LYS  42          2HE       LYS  42   5.579 -19.521 -17.943
  280   1HZ   LYS  42          1HZ       LYS  42   4.050 -17.500 -19.496
  281   2HZ   LYS  42          2HZ       LYS  42   3.627 -19.059 -19.292
  282    H    LYS  43           H        LYS  43   6.054 -14.342 -20.288
  283    HA   LYS  43           HA       LYS  43   4.256 -12.594 -19.173
  284   1HB   LYS  43          1HB       LYS  43   4.368 -14.428 -21.402
  285   2HB   LYS  43          2HB       LYS  43   2.777 -14.479 -20.674
  286   1HG   LYS  43          1HG       LYS  43   4.084 -11.792 -21.155
  287   2HG   LYS  43          2HG       LYS  43   3.366 -12.641 -22.509
  288   1HD   LYS  43          1HD       LYS  43   1.792 -12.278 -19.939
  289   2HD   LYS  43          2HD       LYS  43   1.888 -10.970 -21.100
  290   1HE   LYS  43          1HE       LYS  43   0.456 -12.001 -22.553
  291   2HE   LYS  43          2HE       LYS  43   1.272 -13.543 -22.401
  292   1HZ   LYS  43          1HZ       LYS  43  -1.036 -13.531 -21.497
  293   2HZ   LYS  43          2HZ       LYS  43   0.059 -13.982 -20.379