*HEADER    ANTIFUNGAL PROTEIN                      11-NOV-94   1AFP      
*COMPND    ANTIFUNGAL PROTEIN FROM ASPERGILLUS GIGANTEUS (AGAFP)         
*COMPND   2 (NMR, 40 STRUCTURES)                                         
*SOURCE    MOLD (ASPERGILLUS GIGANTEUS)                                  
*EXPDTA    NMR                                                           
*AUTHOR    R.CAMPOS-OLIVAS,M.BRUIX,J.SANTORO,J.LACADENA,A.M.DEL POZO,    
*AUTHOR   2 J.G.GAVILANES,M.RICO                                         
*REVDAT   1   12-OCT-04 1AFP    0   

##########################################################################
#                                                                        #
#  PRIMARY CONTACT: Ramon Campos-Olivas; email:emcampos@roca.csic.es     #
#  MOLECULE NAME: ANTIFUNGAL PROTEIN FROM ASPERGILLUS GIGANTEUS (AGAFP)  #
#                                                                        #
#               Deposition form file name :AGAFP_RCO.dep_form            #
#                                                                        #
#               PDB coordinate file name: AGAFP_RCO.pdb_file             #
#                                                                        #
#               NMR restraints file name: AGAFP_RCO.restraints           #
#                                                                        #
##########################################################################

#  This set of distance constraints from NMR data are in the DIANA
#  program format (P.GUNTERT,W.BRAUN,K.WUTHRICH, J.MOL.BIOL. (1991)     
#  V. 217, 517-530; P.GUNTERT).

  1 ALA  
         QB      3 TYR  CG      7.10
         QB      3 TYR  CZ      6.02
         QB     44 SER  HA      6.00
  2 THR  
         HN      2 THR  HB      3.30
         HN      2 THR  QG2     4.85
         HA      2 THR  HB      2.90
         HA      2 THR  QG2     3.60
         HA      3 TYR  HN      3.30
         HA      3 TYR  CG      5.93
         HA     42 PHE  CG      6.51
         HA     43 ASP  HA      2.82
         HA     44 SER  HN      3.50
         HA     44 SER  QB      5.36
         HB      3 TYR  HN      4.05
         HB     41 GLU  HB2     5.00
         HB     41 GLU  HB3     5.00
         HB     41 GLU  QB      4.68
         HB     41 GLU  QG      5.38
         HB     43 ASP  HA      5.00
         QG2     3 TYR  HA      6.00
         QG2     3 TYR  CG      7.20
         QG2     4 ASN  HD21    6.00
         QG2     4 ASN  HD22    6.00
         QG2    41 GLU  HA      5.00
         QG2    41 GLU  HB2     4.42
         QG2    41 GLU  HB3     4.42
         QG2    41 GLU  HG2     5.00
         QG2    41 GLU  HG3     5.00
         QG2    42 PHE  HN      5.15
         QG2    43 ASP  QB      6.22
         QG2    44 SER  HN      4.50
  3 TYR  
         HN      3 TYR  CZ      7.20
         HN     42 PHE  HN      4.09
         HN     42 PHE  HB2     5.00
         HN     42 PHE  HB3     5.00
         HN     42 PHE  CG      7.20
         HB2     4 ASN  HN      4.50
         HB2    16 TYR  HB2     7.75
         HB2    16 TYR  HB3     7.75
         HB2    16 TYR  CZ      7.20
         HB2    42 PHE  HN      5.00
         HB2    42 PHE  HB2     5.00
         HB2    42 PHE  HB3     5.00
         HB2    42 PHE  CG      6.59
         HB3     4 ASN  HN      4.50
         HB3    16 TYR  HB2     7.75
         HB3    16 TYR  HB3     7.75
         HB3    16 TYR  CZ      7.20
         HB3    42 PHE  HN      5.00
         HB3    42 PHE  HB2     5.00
         HB3    42 PHE  HB3     5.00
         HB3    42 PHE  CG      6.59
         QB      4 ASN  HN      3.93
         QB     16 TYR  QB      6.57
         QB     16 TYR  CG      6.38
         QB     42 PHE  HN      4.55
         QB     42 PHE  QB      4.10
         QB     42 PHE  CG      6.24
         CG      4 ASN  HN      6.70
         CG     16 TYR  CG      8.30
         CG     16 TYR  CZ      8.44
         CG     18 ALA  HA      5.85
         CG     18 ALA  QB      7.43
         CG     42 PHE  HN      7.20
         CG     42 PHE  HB2     6.31
         CG     42 PHE  HB3     6.31
         CG     42 PHE  QB      6.18
         CG     42 PHE  CZ      8.60
         CG     44 SER  HN      6.70
         CG     44 SER  QB      8.08
         CZ     18 ALA  QB      8.20
         CZ     19 GLN  HN      6.38
         CZ     19 GLN  HA      5.23
         CZ     19 GLN  HB2     6.20
         CZ     19 GLN  HB3     6.20
         CZ     19 GLN  QB      6.06
         CZ     19 GLN  QG      6.96
         CZ     44 SER  HN      6.70
         CZ     44 SER  HA      5.70
         CZ     44 SER  HB2     6.70
         CZ     44 SER  HB3     6.70
         CZ     44 SER  QB      6.16
  4 ASN  
         HN      4 ASN  HB2     3.90
         HN      4 ASN  HB3     3.90
         HN      4 ASN  QB      3.48
         HN      4 ASN  HD21    5.00
         HN      4 ASN  HD22    5.00
         HN     17 LYS  HN      5.00
         HA      5 GLY  HN      2.60
         HA     41 GLU  HA      2.92
         HA     41 GLU  HB2     5.00
         HA     41 GLU  HB3     5.00
         HA     41 GLU  QB      4.44
         HA     41 GLU  QG      5.18
         HA     42 PHE  HN      3.90
         HB2     5 GLY  HN      4.20
         HB3     5 GLY  HN      4.20
         QB      5 GLY  HN      3.83
         QB      5 GLY  QA      6.25
         QB     39 LYS  QG      4.59
  5 GLY  
         HN      6 LYS  HN      5.00
         HN     16 TYR  HB2     5.00
         HN     16 TYR  HB3     5.00
         HN     16 TYR  QB      4.68
         HN     39 LYS  QG      4.76
         HN     40 CYSS HN      3.43
         HN     41 GLU  HA      3.71
         HN     41 GLU  QB      5.88
         HA1    16 TYR  HA      3.85
         HA1    16 TYR  HB2     5.00
         HA1    16 TYR  HB3     5.00
         HA2    16 TYR  HA      3.85
         HA2    16 TYR  HB2     5.00
         HA2    16 TYR  HB3     5.00
         QA     15 LYS  HN      5.88
         QA     16 TYR  HA      3.43
         QA     16 TYR  QB      4.12
         QA     17 LYS  HN      5.38
  6 LYS  
         HN      6 LYS  HB2     4.10
         HN      6 LYS  HB3     4.10
         HN      6 LYS  QB      3.71
         HN      6 LYS  QG      4.15
         HN      6 LYS  QD      5.25
         HN      8 TYR  CZ      7.20
         HN     15 LYS  HN      3.56
         HN     15 LYS  QB      5.29
         HN     16 TYR  QB      5.88
         HA      6 LYS  QD      4.50
         HA      7 CYSS HN      2.50
         HA      7 CYSS HA      5.00
         HA     39 LYS  HA      2.92
         HA     40 CYSS HN      3.24
         HB2     7 CYSS HN      4.10
         HB2     8 TYR  CZ      6.31
         HB2    37 GLY  HN      5.00
         HB2    37 GLY  HA1     4.95
         HB2    37 GLY  HA2     4.95
         HB3     7 CYSS HN      4.10
         HB3     8 TYR  CZ      6.31
         HB3    37 GLY  HN      5.00
         HB3    37 GLY  HA1     4.95
         HB3    37 GLY  HA2     4.95
         QB      6 LYS  QD      3.72
         QB      7 CYSS HN      3.85
         QB      8 TYR  CZ      5.90
         QB     37 GLY  HN      4.60
         QB     37 GLY  QA      3.56
         HG2    37 GLY  HA1     6.25
         HG2    37 GLY  HA2     6.25
         HG3    37 GLY  HA1     6.25
         HG3    37 GLY  HA2     6.25
         QG     37 GLY  HN      6.00
         QG     37 GLY  QA      5.30
         QG     39 LYS  QG      4.62
         QD      7 CYSS HN      5.38
  7 CYSS 
         HN      7 CYSS HB2     4.00
         HN      7 CYSS HB3     4.00
         HN     15 LYS  HN      4.50
         HN     38 ALA  HN      3.79
         HN     38 ALA  QB      5.12
         HN     39 LYS  HA      4.05
         HN     40 CYSS HN      5.00
         HA      8 TYR  HN      2.80
         HA      8 TYR  CG      5.82
         HA     14 CYSS HA      3.52
         HA     14 CYSS QB      5.88
         HA     15 LYS  HN      3.58
         HA     33 CYSS QB      5.88
         HA     38 ALA  QB      6.00
         HB2     8 TYR  HN      4.15
         HB2    33 CYSS HB2     5.91
         HB2    33 CYSS HB3     5.91
         HB2    40 CYSS HB2     5.67
         HB2    40 CYSS HB3     5.67
         HB3     8 TYR  HN      4.15
         HB3    33 CYSS HB2     5.91
         HB3    33 CYSS HB3     5.91
         HB3    40 CYSS HB2     5.67
         HB3    40 CYSS HB3     5.67
         QB      8 TYR  HN      3.78
         QB     13 ILE  HA      5.32
         QB     15 LYS  HN      5.38
         QB     33 CYSS QB      4.64
         QB     37 GLY  HN      5.88
         QB     38 ALA  QB      6.33
         QB     40 CYSS QB      4.73
  8 TYR  
         HN      8 TYR  HB2     4.00
         HN      8 TYR  HB3     4.00
         HN      8 TYR  QB      3.80
         HN     13 ILE  HN      3.77
         HN     13 ILE  QG1     5.33
         HN     13 ILE  QD1     5.33
         HN     14 CYSS HA      4.50
         HA      9 LYS  HN      2.70
         HA     37 GLY  HN      4.00
         HB2    10 LYS  HN      5.00
         HB2    13 ILE  HG12    6.75
         HB2    13 ILE  HG13    6.75
         HB3    10 LYS  HN      5.00
         HB3    13 ILE  HG12    6.75
         HB3    13 ILE  HG13    6.75
         QB     10 LYS  HN      4.68
         QB     13 ILE  HN      5.38
         QB     13 ILE  QG1     5.14
         QB     36 ASP  HN      5.38
         QB     36 ASP  HA      5.24
         CG      9 LYS  HN      5.70
         CG     13 ILE  HN      6.62
         CG     13 ILE  QG2     7.70
         CG     13 ILE  HG12    7.20
         CG     13 ILE  HG13    7.20
         CG     13 ILE  QG1     6.66
         CG     13 ILE  QD1     6.54
         CG     15 LYS  HN      7.20
         CG     15 LYS  HB2     7.20
         CG     15 LYS  HB3     7.20
         CG     15 LYS  QB      6.90
         CG     15 LYS  HG2     6.70
         CG     15 LYS  HG3     6.70
         CG     15 LYS  QG      6.16
         CG     15 LYS  QE      6.47
         CG     33 CYSS HB2     6.70
         CG     33 CYSS HB3     6.70
         CG     36 ASP  QB      6.70
         CG     37 GLY  HN      6.08
         CZ     11 ASP  QB      6.30
         CZ     15 LYS  HN      6.05
         CZ     15 LYS  HB2     5.70
         CZ     15 LYS  HB3     5.70
         CZ     15 LYS  HG2     6.70
         CZ     15 LYS  HG3     6.70
         CZ     15 LYS  QG      6.16
         CZ     15 LYS  QD      6.34
         CZ     15 LYS  QE      6.91
         CZ     36 ASP  HN      7.20
         CZ     36 ASP  QB      7.20
         CZ     37 GLY  HN      6.00
  9 LYS  
         HN      9 LYS  HB2     3.50
         HN      9 LYS  HB3     3.50
         HN      9 LYS  HG2     4.00
         HN      9 LYS  HG3     4.00
         HN      9 LYS  QD      5.20
         HN     10 LYS  HN      3.55
         HN     36 ASP  HA      3.20
         HN     36 ASP  HB2     4.50
         HN     36 ASP  HB3     4.50
         HA      9 LYS  QD      4.90
         HA      9 LYS  QE      5.10
         HA     12 ASN  HN      3.92
         HA     12 ASN  HA      3.62
         HA     12 ASN  QB      4.38
         HA     33 CYSS HN      4.18
         HA     33 CYSS HB2     3.50
         HA     33 CYSS HB3     3.50
         HA     33 CYSS QB      3.06
         HB2    10 LYS  HN      3.90
         HB3    10 LYS  HN      3.90
         QB      9 LYS  QE      6.08
         QB     10 LYS  HN      3.60
         QB     35 ARG  HA      4.16
         QB     36 ASP  HN      4.99
         HG2    10 LYS  HN      5.00
         HG3    10 LYS  HN      5.00
         QG     10 LYS  HA      5.88
         QG     35 ARG  HN      5.12
         QG     35 ARG  HA      5.14
         QD     36 ASP  HN      4.67
         QE     35 ARG  HA      4.76
 10 LYS  
         HN     10 LYS  HB2     3.10
         HN     10 LYS  HB3     3.10
         HN     11 ASP  HN      3.50
         HN     12 ASN  HN      4.00
         HA     10 LYS  QB      2.69
         HA     10 LYS  HG2     3.75
         HA     10 LYS  HG3     3.75
         HA     10 LYS  QG      3.35
         HA     10 LYS  QD      5.28
         HA     10 LYS  QE      5.31
         HA     12 ASN  HN      4.40
         HB2    11 ASP  HN      3.50
         HB3    11 ASP  HN      3.50
 11 ASP  
         HN     11 ASP  HB2     4.10
         HN     11 ASP  HB3     4.10
         HN     11 ASP  QB      3.69
         HN     12 ASN  HN      3.15
         HN     12 ASN  HA      5.00
         HN     13 ILE  HN      5.00
         HN     13 ILE  QG1     5.88
         HA     12 ASN  QB      5.88
         HB2    12 ASN  HN      4.20
         HB2    13 ILE  QG2     5.50
         HB2    13 ILE  HG12    6.75
         HB2    13 ILE  HG13    6.75
         HB2    13 ILE  QD1     6.00
         HB3    12 ASN  HN      4.20
         HB3    13 ILE  QG2     5.50
         HB3    13 ILE  HG12    6.75
         HB3    13 ILE  HG13    6.75
         HB3    13 ILE  QD1     6.00
         QB     13 ILE  HN      5.15
         QB     13 ILE  QG2     4.95
         QB     13 ILE  QG1     5.25
         QB     13 ILE  QD1     5.28
 12 ASN  
         HN     12 ASN  HA      2.70
         HN     12 ASN  HB2     3.95
         HN     12 ASN  HB3     3.95
         HN     12 ASN  QB      3.70
         HN     13 ILE  HN      3.35
         HN     33 CYSS QB      5.88
         HA     13 ILE  HN      2.85
         HA     33 CYSS HN      3.50
         HA     33 CYSS QB      4.66
         HB2    33 CYSS HN      5.00
         HB3    33 CYSS HN      5.00
         QB     13 ILE  QG1     6.75
         QB     28 CYSS HN      5.88
         HD21   28 CYSS HB2     4.00
         HD21   28 CYSS HB3     4.00
         HD21   32 LYS  HA      4.00
         HD21   32 LYS  HG2     5.25
         HD21   32 LYS  HG3     5.25
         HD21   33 CYSS HN      5.00
         HD22   28 CYSS HB2     4.00
         HD22   28 CYSS HB3     4.00
         HD22   32 LYS  HA      4.00
         HD22   32 LYS  HG2     5.25
         HD22   32 LYS  HG3     5.25
         HD22   33 CYSS HN      5.00
         QD2    13 ILE  QG2     6.87
         QD2    28 CYSS HN      5.87
         QD2    28 CYSS QB      3.55
         QD2    29 TYR  HA      5.37
         QD2    32 LYS  HA      3.66
         QD2    32 LYS  QB      6.24
         QD2    32 LYS  QG      4.51
         QD2    33 CYSS HN      4.68
 13 ILE  
         HN     13 ILE  HB      3.75
         HN     13 ILE  QG2     4.30
         HN     13 ILE  HG12    4.00
         HN     13 ILE  HG13    4.00
         HN     13 ILE  QG1     3.49
         HN     13 ILE  QD1     4.85
         HN     14 CYSS HN      5.00
         HA     13 ILE  HB      2.90
         HA     13 ILE  QG2     3.70
         HA     14 CYSS HN      2.70
         HA     14 CYSS QB      5.88
         HA     25 ILE  QG2     5.17
         HA     27 LYS  HA      2.89
         HA     28 CYSS HN      3.19
         HB     14 CYSS HN      3.05
         HB     25 ILE  QG2     3.75
         HB     26 CYSS HN      4.50
         QG2    14 CYSS HN      4.37
         QG2    26 CYSS HN      6.00
         QG2    27 LYS  HN      5.50
         QG2    27 LYS  HA      3.94
         QG2    27 LYS  QG      5.48
         QG2    28 CYSS HN      4.50
         QD1    14 CYSS HN      5.29
         QD1    15 LYS  HN      6.00
         QD1    26 CYSS HN      6.00
 14 CYSS 
         HN     14 CYSS HB2     3.40
         HN     14 CYSS HB3     3.40
         HN     14 CYSS QB      3.21
         HN     25 ILE  QG2     4.92
         HN     26 CYSS HN      3.79
         HN     27 LYS  HA      3.85
         HN     28 CYSS HN      4.28
         HA     15 LYS  HN      3.40
         HB2    40 CYSS HB2     5.75
         HB2    40 CYSS HB3     5.75
         HB3    40 CYSS HB2     5.75
         HB3    40 CYSS HB3     5.75
         QB     15 LYS  HN      4.86
         QB     25 ILE  QG2     6.38
         QB     26 CYSS HN      5.28
         QB     40 CYSS QB      5.03
 15 LYS  
         HN     15 LYS  HB2     3.65
         HN     15 LYS  HB3     3.65
         HN     15 LYS  QB      3.47
         HN     15 LYS  HG2     5.00
         HN     15 LYS  HG3     5.00
         HN     15 LYS  QG      4.49
         HA     15 LYS  HG2     4.00
         HA     15 LYS  HG3     4.00
         HA     15 LYS  QG      3.70
         HA     16 TYR  HN      2.60
         HA     16 TYR  CG      5.70
         HA     23 THR  QG2     6.00
         HA     25 ILE  HA      4.00
         HA     25 ILE  QG2     4.26
         HA     25 ILE  QG1     4.94
         HB2    16 TYR  HN      5.00
         HB3    16 TYR  HN      5.00
         QB     16 TYR  HN      4.53
         QB     16 TYR  CG      8.08
         QB     25 ILE  HA      5.33
         HG2    15 LYS  HE2     4.20
         HG2    15 LYS  HE3     4.20
         HG2    16 TYR  HN      5.00
         HG3    15 LYS  HE2     4.20
         HG3    15 LYS  HE3     4.20
         HG3    16 TYR  HN      5.00
         QG     16 TYR  HN      4.65
         QG     25 ILE  QG2     6.38
         QG     25 ILE  QD1     6.38
         QE     25 ILE  QD1     5.85
 16 TYR  
         HN     16 TYR  CZ      7.20
         HN     23 THR  QG2     5.10
         HN     24 ALA  HN      5.00
         HN     24 ALA  QB      5.50
         HN     25 ILE  HA      4.00
         HN     25 ILE  QG2     6.00
         HA     16 TYR  HB2     2.90
         HA     16 TYR  HB3     2.90
         HA     17 LYS  HN      3.00
         HB2    17 LYS  HN      3.90
         HB3    17 LYS  HN      3.90
         QB     17 LYS  HN      3.55
         QB     42 PHE  CG      6.79
         CG     17 LYS  HN      5.70
         CG     18 ALA  HN      6.70
         CG     18 ALA  HA      5.57
         CG     18 ALA  QB      7.14
         CG     24 ALA  QB      7.11
         CG     26 CYSS HN      7.20
         CG     42 PHE  HB2     6.49
         CG     42 PHE  HB3     6.49
         CG     42 PHE  QB      6.37
         CZ     17 LYS  HN      6.70
         CZ     18 ALA  HA      5.16
         CZ     18 ALA  QB      6.12
         CZ     24 ALA  HA      7.20
         CZ     25 ILE  HA      6.54
         CZ     26 CYSS HN      6.45
         CZ     26 CYSS HA      6.50
         CZ     26 CYSS HB2     5.58
         CZ     26 CYSS HB3     5.58
         CZ     42 PHE  HB2     6.70
         CZ     42 PHE  HB3     6.70
         CZ     42 PHE  QB      6.51
         CZ     42 PHE  CG      7.85
         CZ     42 PHE  CZ      8.80
 17 LYS  
         HN     17 LYS  HB2     3.80
         HN     17 LYS  HB3     3.80
         HN     17 LYS  QB      3.55
         HN     17 LYS  HG2     5.00
         HN     17 LYS  HG3     5.00
         HN     17 LYS  QG      4.68
         HN     23 THR  QG2     6.00
         HA     17 LYS  HG2     4.20
         HA     17 LYS  HG3     4.20
         HA     17 LYS  QG      3.96
         HA     17 LYS  QE      4.90
         HA     18 ALA  HN      3.50
         HB2    21 GLY  HA1     6.75
         HB2    21 GLY  HA2     6.75
         HB3    21 GLY  HA1     6.75
         HB3    21 GLY  HA2     6.75
         QB     17 LYS  QE      4.83
         QB     21 GLY  QA      5.81
         HG2    21 GLY  HA1     6.25
         HG2    21 GLY  HA2     6.25
         HG3    21 GLY  HA1     6.25
         HG3    21 GLY  HA2     6.25
         QG     21 GLY  QA      5.30
         QD     21 GLY  QA      5.88
 18 ALA  
         HN     23 THR  QG2     6.00
         HA     19 GLN  HN      3.50
         QB     19 GLN  HN      4.35
         QB     20 SER  HN      4.38
         QB     21 GLY  HN      4.50
         QB     22 LYS  HN      4.50
         QB     23 THR  HA      5.07
         QB     24 ALA  QB      6.50
 19 GLN  
         HN     19 GLN  HB2     3.40
         HN     19 GLN  HB3     3.40
         HN     19 GLN  QB      3.21
         HN     19 GLN  QG      4.90
         HN     20 SER  HN      3.60
         HA     19 GLN  HB2     3.00
         HA     19 GLN  HB3     3.00
         HA     19 GLN  QG      3.80
         HA     20 SER  HN      3.55
         HB2    20 SER  HN      4.10
         HB3    20 SER  HN      4.10
         QB     20 SER  HN      3.83
 20 SER  
         HN     20 SER  QB      3.81
         HN     21 GLY  HN      4.50
         HA     20 SER  HB2     2.70
         HA     20 SER  HB3     2.70
         HA     20 SER  QB      2.45
         HB2    22 LYS  HB2     5.70
         HB2    22 LYS  HB3     5.70
         HB3    22 LYS  HB2     5.70
         HB3    22 LYS  HB3     5.70
         QB     22 LYS  HN      5.88
         QB     22 LYS  QB      4.35
 21 GLY  
         HN     22 LYS  HN      3.10
         HN     23 THR  HN      5.00
 22 LYS  
         HN     22 LYS  HB2     3.80
         HN     22 LYS  HB3     3.80
         HN     22 LYS  QB      3.43
         HN     22 LYS  QG      4.45
         HN     23 THR  HN      5.00
         HA     22 LYS  QB      2.69
         HA     23 THR  HN      3.50
         QB     23 THR  HA      4.86
 23 THR  
         HN     23 THR  HB      2.85
         HN     23 THR  QG2     4.85
         HA     23 THR  QG2     3.50
         HA     24 ALA  HN      2.80
         HA     24 ALA  QB      5.07
         QG2    24 ALA  HN      4.35
         QG2    24 ALA  HA      4.58
 24 ALA  
         HA     25 ILE  HN      2.90
         HA     25 ILE  HA      4.33
         QB     25 ILE  HN      3.90
         QB     25 ILE  HA      6.00
 25 ILE  
         HN     25 ILE  HB      3.34
         HN     25 ILE  QG2     4.85
         HN     25 ILE  HG12    3.95
         HN     25 ILE  HG13    3.95
         HN     26 CYSS HN      5.00
         HA     25 ILE  HG12    3.80
         HA     25 ILE  HG13    3.80
         HA     25 ILE  QG1     3.60
         HA     25 ILE  QD1     4.80
         HA     26 CYSS HN      2.90
         HA     26 CYSS HA      4.40
         HB     26 CYSS HN      4.03
         QG2    26 CYSS HN      4.37
         QG2    27 LYS  HN      5.00
 26 CYSS 
         HA     26 CYSS QB      2.71
         HA     27 LYS  HN      3.30
         HB2    42 PHE  CG      5.95
         HB2    42 PHE  CZ      6.70
         HB3    42 PHE  CG      5.95
         HB3    42 PHE  CZ      6.70
 27 LYS  
         HN     27 LYS  HB2     3.60
         HN     27 LYS  HB3     3.60
         HN     27 LYS  QB      3.22
         HN     27 LYS  HG2     4.50
         HN     27 LYS  HG3     4.50
         HN     28 CYSS HN      5.00
         HA     28 CYSS HN      2.50
         HA     28 CYSS HA      4.23
         HB2    27 LYS  HE2     5.65
         HB2    27 LYS  HE3     5.65
         HB2    28 CYSS HN      3.86
         HB3    27 LYS  HE2     5.65
         HB3    27 LYS  HE3     5.65
         HB3    28 CYSS HN      3.86
         QB     27 LYS  QD      3.72
         QB     27 LYS  QE      4.26
 28 CYSS 
         HN     28 CYSS HB2     3.55
         HN     28 CYSS HB3     3.55
         HN     28 CYSS QB      3.19
         HN     29 TYR  HN      4.50
         HN     29 TYR  CG      7.20
         HA     29 TYR  HN      3.00
         HB2    29 TYR  HN      5.00
         HB2    32 LYS  HA      3.80
         HB2    33 CYSS HN      4.00
         HB3    29 TYR  HN      5.00
         HB3    32 LYS  HA      3.80
         HB3    33 CYSS HN      4.00
         QB     29 TYR  HN      4.44
 29 TYR  
         HN     29 TYR  HB2     3.55
         HN     29 TYR  HB3     3.55
         HN     29 TYR  QB      3.31
         HN     30 VAL  HN      5.00
         HA     30 VAL  HN      3.20
         HA     30 VAL  QQG     6.92
         HB2    30 VAL  HN      5.00
         HB2    30 VAL  QG1     9.12
         HB2    30 VAL  QG2     9.12
         HB3    30 VAL  HN      5.00
         HB3    30 VAL  QG1     9.12
         HB3    30 VAL  QG2     9.12
         QB     30 VAL  QQG     7.51
         CG     30 VAL  HN      7.20
         CG     30 VAL  HB      6.21
         CG     30 VAL  QG1     7.12
         CG     30 VAL  QG2     7.12
         CG     30 VAL  QQG     6.62
         CG     48 LYS  HB2     6.70
         CG     48 LYS  HB3     6.70
         CG     48 LYS  HG2     6.70
         CG     48 LYS  HG3     6.70
         CG     48 LYS  QG      6.40
         CG     48 LYS  QD      7.52
         CZ     30 VAL  QG1     7.05
         CZ     30 VAL  QG2     7.05
         CZ     30 VAL  QQG     6.51
         CZ     48 LYS  HG2     7.20
         CZ     48 LYS  HG3     7.20
 30 VAL  
         HN     31 LYS  HN      4.00
         HB     31 LYS  HN      3.00
         QG1    31 LYS  HN      5.50
         QG2    31 LYS  HN      5.50
         QQG    31 LYS  HN      4.84
         QQG    31 LYS  HA      6.14
         QQG    31 LYS  QB      7.39
 31 LYS  
         HN     31 LYS  QB      3.90
         HN     31 LYS  QG      5.18
         HA     31 LYS  HG2     3.45
         HA     31 LYS  HG3     3.45
         HA     31 LYS  QG      3.26
         HA     31 LYS  QD      5.10
         HA     32 LYS  HN      2.60
         QB     32 LYS  HN      4.90
 32 LYS  
         HN     32 LYS  HA      2.63
         HN     32 LYS  HB2     3.25
         HN     32 LYS  HB3     3.25
         HN     32 LYS  QB      3.03
         HN     33 CYSS HN      5.00
         HA     32 LYS  QB      2.64
         HA     32 LYS  QE      4.78
         HA     33 CYSS HN      2.70
         HB2    32 LYS  HE2     5.05
         HB2    32 LYS  HE3     5.05
         HB2    33 CYSS HN      4.10
         HB3    32 LYS  HE2     5.05
         HB3    32 LYS  HE3     5.05
         HB3    33 CYSS HN      4.10
         QB     32 LYS  QE      3.98
         QB     33 CYSS HN      3.81
         QB     33 CYSS QB      6.75
         HG2    33 CYSS HN      5.00
         HG3    33 CYSS HN      5.00
         QG     33 CYSS HN      4.68
 33 CYSS 
         HN     33 CYSS HB2     3.35
         HN     33 CYSS HB3     3.35
         HN     34 PRO  HD2     5.00
         HN     34 PRO  HD3     5.00
         HN     51 CYSS HB2     5.00
         HN     51 CYSS HB3     5.00
         HA     34 PRO  QG      5.48
         HA     34 PRO  HD2     2.98
         HA     34 PRO  HD3     2.98
         HA     35 ARG  HN      5.00
         HA     38 ALA  QB      5.00
         HA     51 CYSS QB      4.88
         HB2    34 PRO  HD2     6.75
         HB2    34 PRO  HD3     6.75
         HB3    34 PRO  HD2     6.75
         HB3    34 PRO  HD3     6.75
         QB     34 PRO  QD      5.56
         QB     51 CYSS QB      6.25
 34 PRO  
         QB     35 ARG  HN      4.30
         QB     38 ALA  QB      6.88
         HG2    38 ALA  QB      5.00
         HG3    38 ALA  QB      5.00
         QG     35 ARG  HN      4.77
         QG     38 ALA  QB      4.68
         HD2    35 ARG  HN      3.66
         HD2    38 ALA  QB      5.00
         HD3    35 ARG  HN      3.66
         HD3    38 ALA  QB      5.00
         QD     35 ARG  HN      3.47
         QD     38 ALA  QB      4.45
 35 ARG  
         HN     35 ARG  HA      2.80
         HN     35 ARG  HB2     4.00
         HN     35 ARG  HB3     4.00
         HN     35 ARG  QB      3.80
         HN     35 ARG  HG2     4.10
         HN     35 ARG  HG3     4.10
         HN     35 ARG  QG      3.85
         HN     36 ASP  HN      4.50
         HN     38 ALA  QB      5.00
         HA     35 ARG  QG      3.69
         HA     35 ARG  QD      5.28
         HA     36 ASP  HN      2.60
         HA     38 ALA  HN      5.00
         HB2    35 ARG  HD2     3.80
         HB2    35 ARG  HD3     3.80
         HB3    35 ARG  HD2     3.80
         HB3    35 ARG  HD3     3.80
         QB     35 ARG  QD      3.45
         QB     38 ALA  HN      5.38
         QG     38 ALA  HN      5.09
         QD     38 ALA  QB      5.88
 36 ASP  
         HN     36 ASP  HB2     3.30
         HN     36 ASP  HB3     3.30
         HN     36 ASP  QB      3.08
         HA     38 ALA  HN      3.90
 37 GLY  
         HN     38 ALA  HN      3.05
 38 ALA  
         HN     38 ALA  HA      2.90
         HN     38 ALA  QB      3.40
         HN     39 LYS  HN      4.50
         HA     39 LYS  HN      2.65
         QB     39 LYS  HN      3.95
 39 LYS  
         HN     39 LYS  HB2     3.30
         HN     39 LYS  HB3     3.30
         HN     39 LYS  QB      3.03
         HN     39 LYS  QG      4.93
         HN     40 CYSS HN      5.00
         HA     39 LYS  QG      3.69
         HA     40 CYSS HN      2.20
         HB2    40 CYSS HN      4.00
         HB3    40 CYSS HN      4.00
         QB     40 CYSS HN      3.83
         HG2    40 CYSS HN      4.50
         HG3    40 CYSS HN      4.50
 40 CYSS 
         HA     41 GLU  HN      3.25
         HA     41 GLU  QG      4.86
         HB2    41 GLU  HN      4.05
         HB2    51 CYSS HA      3.50
         HB3    41 GLU  HN      4.05
         HB3    51 CYSS HA      3.50
         QB     41 GLU  HN      3.68
 41 GLU  
         HN     41 GLU  HG2     5.00
         HN     41 GLU  HG3     5.00
         HN     41 GLU  QG      4.68
         HN     50 TYR  HN      4.25
         HN     50 TYR  CG      7.20
         HA     42 PHE  HN      2.50
         HB2    42 PHE  HN      3.80
         HB2    50 TYR  HB2     5.98
         HB2    50 TYR  HB3     5.98
         HB2    50 TYR  CG      7.20
         HB3    42 PHE  HN      3.80
         HB3    50 TYR  HB2     5.98
         HB3    50 TYR  HB3     5.98
         HB3    50 TYR  CG      7.20
         QB     50 TYR  QB      5.20
         QB     50 TYR  CG      6.72
         HG2    50 TYR  HB2     6.75
         HG2    50 TYR  HB3     6.75
         HG2    50 TYR  CG      6.70
         HG3    50 TYR  HB2     6.75
         HG3    50 TYR  HB3     6.75
         HG3    50 TYR  CG      6.70
         QG     50 TYR  QB      5.24
 42 PHE  
         HN     42 PHE  QB      3.85
         HN     43 ASP  HN      5.00
         HA     43 ASP  HN      3.10
         HA     49 CYSS HA      4.51
         HA     50 TYR  HN      4.25
         HB2    43 ASP  HN      5.00
         HB3    43 ASP  HN      5.00
         QB     43 ASP  HN      4.44
         QB     49 CYSS HA      5.09
         CG     43 ASP  HN      7.20
         CG     44 SER  HN      7.20
         CG     44 SER  HA      5.70
         CG     44 SER  QB      8.08
         CG     47 GLY  QA      6.23
         CG     49 CYSS HA      5.81
         CG     49 CYSS QB      7.06
         CZ     43 ASP  HN      5.97
         CZ     44 SER  HA      5.70
         CZ     44 SER  HB2     5.70
         CZ     44 SER  HB3     5.70
         CZ     47 GLY  HN      7.20
         CZ     47 GLY  HA1     7.20
         CZ     47 GLY  HA2     7.20
         CZ     48 LYS  HA      7.20
         CZ     49 CYSS HA      7.20
         HZ     47 GLY  HA1     4.02
         HZ     47 GLY  HA2     4.02
         HZ     47 GLY  QA      3.75
 43 ASP  
         HN     43 ASP  HB2     3.70
         HN     43 ASP  HB3     3.70
         HN     45 TYR  CZ      6.70
         HN     48 LYS  HN      4.11
         HN     49 CYSS HA      4.00
         HN     50 TYR  CG      6.70
         HN     50 TYR  CZ      7.20
         HA     45 TYR  HN      5.00
         HA     50 TYR  CZ      6.60
         HB2    44 SER  HN      4.50
         HB2    48 LYS  HN      5.00
         HB2    50 TYR  CG      6.43
         HB2    50 TYR  CZ      5.44
         HB3    44 SER  HN      4.50
         HB3    48 LYS  HN      5.00
         HB3    50 TYR  CG      6.43
         HB3    50 TYR  CZ      5.44
         QB     46 LYS  HN      5.38
         QB     48 LYS  HN      4.44
         QB     50 TYR  CG      6.20
 44 SER  
         HN     45 TYR  HN      3.65
         HN     45 TYR  QB      6.00
         HN     46 LYS  HN      5.00
         HA     47 GLY  HN      4.50
         QB     46 LYS  HN      5.88
 45 TYR  
         HN     45 TYR  CZ      7.20
         HN     46 LYS  HN      3.10
         QB     46 LYS  HN      4.10
         QB     47 GLY  HN      6.00
         CG     46 LYS  HN      6.60
         CG     46 LYS  HG2     5.70
         CG     46 LYS  HG3     5.70
 46 LYS  
         HN     46 LYS  HB2     3.90
         HN     46 LYS  HB3     3.90
         HN     46 LYS  QB      3.55
         HN     46 LYS  HG2     4.00
         HN     46 LYS  HG3     4.00
         HN     47 GLY  HN      3.35
         HN     48 LYS  HN      5.00
         HA     46 LYS  HG2     4.10
         HA     46 LYS  HG3     4.10
         HA     46 LYS  QG      3.81
         HB2    47 GLY  HN      4.40
         HB2    48 LYS  HN      4.50
         HB3    47 GLY  HN      4.40
         HB3    48 LYS  HN      4.50
         QB     48 LYS  HN      4.17
 47 GLY  
         HN     48 LYS  HN      3.40
         HN     48 LYS  QB      5.88
 48 LYS  
         HN     48 LYS  HB2     4.10
         HN     48 LYS  HB3     4.10
         HN     48 LYS  QB      3.62
         HN     48 LYS  QG      5.00
         HA     48 LYS  QD      4.20
         HA     49 CYSS HN      3.40
         HB2    50 TYR  CZ      5.88
         HB3    50 TYR  CZ      5.88
         QB     49 CYSS HN      4.98
         QB     50 TYR  QB      6.45
         QB     50 TYR  CG      7.47
         QB     50 TYR  CZ      5.60
 49 CYSS 
         HA     50 TYR  CG      6.60
         HB2    50 TYR  HN      5.00
         HB3    50 TYR  HN      5.00
         QB     50 TYR  HN      4.68
 50 TYR  
         HN     50 TYR  HB2     3.85
         HN     50 TYR  HB3     3.85
         HN     50 TYR  QB      3.60
         HN     50 TYR  CZ      7.20
         HA     51 CYSS HN      3.50


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    H    ALA   1           H        ALA   1   3.554 -10.967 -10.967
    2    HA   ALA   1           HA       ALA   1   4.803 -11.013 -11.013
    3   1HB   ALA   1          1HB       ALA   1   2.437 -12.620 -12.620
    4   2HB   ALA   1          2HB       ALA   1   3.261 -11.930 -11.930
    5   3HB   ALA   1          3HB       ALA   1   4.164 -12.952 -12.952
    6    H    THR   2           H        THR   2   2.650  -8.808  -8.808
    7    HA   THR   2           HA       THR   2   1.985  -7.594  -7.594
    8    HB   THR   2           HB       THR   2   2.374  -6.138  -6.138
    9    HG1  THR   2          1HG       THR   2   0.326  -7.205  -7.205
   10   1HG2  THR   2          3HG2      THR   2   1.112  -5.468  -5.468
   11   2HG2  THR   2          1HG2      THR   2  -0.223  -6.037  -6.037
   12   3HG2  THR   2          2HG2      THR   2   0.811  -4.694  -4.694
   13    H    TYR   3           H        TYR   3   2.915  -5.938  -5.938
   14    HA   TYR   3           HA       TYR   3   5.793  -5.695  -5.695
   15   1HB   TYR   3          2HB       TYR   3   3.932  -4.809  -4.809
   16   2HB   TYR   3          1HB       TYR   3   5.679  -4.914  -4.914
   17    HD1  TYR   3           HD2      TYR   3   5.224  -7.680  -7.680
   18    HD2  TYR   3           HD1      TYR   3   4.117  -6.221  -6.221
   19    HE1  TYR   3           HE2      TYR   3   5.032 -10.067 -10.067
   20    HE2  TYR   3           HE1      TYR   3   3.928  -8.613  -8.613
   21    HH   TYR   3           HH       TYR   3   4.995 -10.845 -10.845
   22    H    ASN   4           H        ASN   4   6.202  -3.284  -3.284
   23    HA   ASN   4           HA       ASN   4   4.603  -1.289  -1.289
   24   1HB   ASN   4          2HB       ASN   4   7.490  -1.839  -1.839
   25   2HB   ASN   4          1HB       ASN   4   6.920  -0.182  -0.182
   26   1HD2  ASN   4          2HD2      ASN   4   5.486  -2.981  -2.981
   27   2HD2  ASN   4          1HD2      ASN   4   6.257  -3.437  -3.437
   28    H    GLY   5           H        GLY   5   4.746   0.710   0.710
   29   1HA   GLY   5          1HA       GLY   5   6.894   1.216   1.216
   30   2HA   GLY   5          2HA       GLY   5   5.448   0.656   0.656
   31    H    LYS   6           H        LYS   6   4.576   2.475   2.475
   32    HA   LYS   6           HA       LYS   6   3.658   4.533   4.533
   33   1HB   LYS   6          2HB       LYS   6   5.379   5.223   5.223
   34   2HB   LYS   6          1HB       LYS   6   4.586   6.361   6.361
   35   1HG   LYS   6          2HG       LYS   6   5.915   5.491   5.491
   36   2HG   LYS   6          1HG       LYS   6   6.692   4.325   4.325
   37   1HD   LYS   6          2HD       LYS   6   7.632   6.189   6.189
   38   2HD   LYS   6          1HD       LYS   6   6.846   7.359   7.359
   39   1HE   LYS   6          2HE       LYS   6   8.255   5.690   5.690
   40   2HE   LYS   6          1HE       LYS   6   9.346   5.869   5.869
   41   1HZ   LYS   6          1HZ       LYS   6   9.786   7.939   7.939
   42   2HZ   LYS   6          2HZ       LYS   6   8.227   8.387   8.387
   43    H    CYS   7           H        CYS   7   2.019   5.963   5.963
   44    HA   CYS   7           HA       CYS   7   0.894   4.692   4.692
   45   1HB   CYS   7          2HB       CYS   7  -1.393   5.106   5.106
   46   2HB   CYS   7          1HB       CYS   7  -0.473   3.722   3.722
   47    H    TYR   8           H        TYR   8  -0.467   6.214   6.214
   48    HA   TYR   8           HA       TYR   8   0.176   9.011   9.011
   49   1HB   TYR   8          2HB       TYR   8  -0.375   7.513   7.513
   50   2HB   TYR   8          1HB       TYR   8  -0.032   9.229   9.229
   51    HD1  TYR   8           HD2      TYR   8   2.050   8.289   8.289
   52    HD2  TYR   8           HD1      TYR   8   1.583   7.604   7.604
   53    HE1  TYR   8           HE2      TYR   8   4.537   7.801   7.801
   54    HE2  TYR   8           HE1      TYR   8   4.072   7.118   7.118
   55    HH   TYR   8           HH       TYR   8   6.200   7.490   7.490
   56    H    LYS   9           H        LYS   9  -1.480  10.488  10.488
   57    HA   LYS   9           HA       LYS   9  -4.131   9.432   9.432
   58   1HB   LYS   9          2HB       LYS   9  -4.747  11.677  11.677
   59   2HB   LYS   9          1HB       LYS   9  -3.371  11.076  11.076
   60   1HG   LYS   9          2HG       LYS   9  -2.586  13.201  13.201
   61   2HG   LYS   9          1HG       LYS   9  -1.964  12.313  12.313
   62   1HD   LYS   9          2HD       LYS   9  -3.020  14.006  14.006
   63   2HD   LYS   9          1HD       LYS   9  -4.389  12.921  12.921
   64   1HE   LYS   9          2HE       LYS   9  -5.525  14.404  14.404
   65   2HE   LYS   9          1HE       LYS   9  -4.180  14.552  14.552
   66   1HZ   LYS   9          1HZ       LYS   9  -4.125  16.647  16.647
   67   2HZ   LYS   9          2HZ       LYS   9  -3.264  15.975  15.975
   68    H    LYS  10           H        LYS  10  -2.301  11.751  11.751
   69    HA   LYS  10           HA       LYS  10  -4.392  12.421  12.421
   70   1HB   LYS  10          2HB       LYS  10  -1.809  13.162  13.162
   71   2HB   LYS  10          1HB       LYS  10  -1.675  12.140  12.140
   72   1HG   LYS  10          2HG       LYS  10  -3.955  13.566  13.566
   73   2HG   LYS  10          1HG       LYS  10  -3.077  14.754  14.754
   74   1HD   LYS  10          2HD       LYS  10  -1.702  13.205  13.205
   75   2HD   LYS  10          1HD       LYS  10  -2.639  14.643  14.643
   76   1HE   LYS  10          2HE       LYS  10  -1.197  16.049  16.049
   77   2HE   LYS  10          1HE       LYS  10  -0.484  14.689  14.689
   78   1HZ   LYS  10          1HZ       LYS  10   0.722  14.077  14.077
   79   2HZ   LYS  10          2HZ       LYS  10  -0.177  14.991  14.991
   80    H    ASP  11           H        ASP  11  -2.045   9.674   9.674
   81    HA   ASP  11           HA       ASP  11  -3.472   8.680   8.680
   82   1HB   ASP  11          2HB       ASP  11  -1.026   7.766   7.766
   83   2HB   ASP  11          1HB       ASP  11  -1.742   6.744   6.744
   84    HD1  ASP  11          2HD       ASP  11  -1.820   9.958   9.958
   85    H    ASN  12           H        ASN  12  -3.814   8.637   8.637
   86    HA   ASN  12           HA       ASN  12  -4.638   7.259   7.259
   87   1HB   ASN  12          2HB       ASN  12  -6.736   7.943   7.943
   88   2HB   ASN  12          1HB       ASN  12  -6.505   6.952   6.952
   89   1HD2  ASN  12          2HD2      ASN  12  -7.432   5.087   5.087
   90   2HD2  ASN  12          1HD2      ASN  12  -6.403   6.479   6.479
   91    H    ILE  13           H        ILE  13  -2.490   5.896   5.896
   92    HA   ILE  13           HA       ILE  13  -3.402   3.159   3.159
   93    HB   ILE  13           HB       ILE  13  -1.252   2.895   2.895
   94   1HG1  ILE  13          2HG1      ILE  13  -1.142   4.907   4.907
   95   2HG1  ILE  13          3HG1      ILE  13  -1.935   5.820   5.820
   96   1HG2  ILE  13          3HG2      ILE  13  -4.061   3.554   3.554
   97   2HG2  ILE  13          1HG2      ILE  13  -2.891   3.658   3.658
   98   3HG2  ILE  13          2HG2      ILE  13  -3.072   2.138   2.138
   99   1HD1  ILE  13          1HD1      ILE  13   0.571   4.183   4.183
  100   2HD1  ILE  13          2HD1      ILE  13   0.644   5.869   5.869
  101   3HD1  ILE  13          3HD1      ILE  13  -0.128   5.486   5.486
  102    H    CYS  14           H        CYS  14  -1.578   1.592   1.592
  103    HA   CYS  14           HA       CYS  14   0.082   2.874   2.874
  104   1HB   CYS  14          2HB       CYS  14  -1.511   1.771   1.771
  105   2HB   CYS  14          1HB       CYS  14  -1.633   0.422   0.422
  106    H    LYS  15           H        LYS  15   2.176   2.763   2.763
  107    HA   LYS  15           HA       LYS  15   2.898   0.412   0.412
  108   1HB   LYS  15          2HB       LYS  15   4.364   3.056   3.056
  109   2HB   LYS  15          1HB       LYS  15   4.654   1.755   1.755
  110   1HG   LYS  15          2HG       LYS  15   2.779   2.254   2.254
  111   2HG   LYS  15          1HG       LYS  15   1.857   2.840   2.840
  112   1HD   LYS  15          2HD       LYS  15   2.368   4.771   4.771
  113   2HD   LYS  15          1HD       LYS  15   3.391   4.876   4.876
  114   1HE   LYS  15          2HE       LYS  15   4.527   3.406   3.406
  115   2HE   LYS  15          1HE       LYS  15   4.348   5.141   5.141
  116   1HZ   LYS  15          1HZ       LYS  15   5.655   3.991   3.991
  117   2HZ   LYS  15          2HZ       LYS  15   6.507   4.289   4.289
  118    H    TYR  16           H        TYR  16   4.489  -0.989  -0.989
  119    HA   TYR  16           HA       TYR  16   6.309  -0.262  -0.262
  120   1HB   TYR  16          2HB       TYR  16   5.344  -2.070  -2.070
  121   2HB   TYR  16          1HB       TYR  16   4.288  -0.684  -0.684
  122    HD1  TYR  16           HD1      TYR  16   2.554  -0.917  -0.917
  123    HD2  TYR  16           HD2      TYR  16   4.394  -4.180  -4.180
  124    HE1  TYR  16           HE1      TYR  16   0.673  -2.458  -2.458
  125    HE2  TYR  16           HE2      TYR  16   2.507  -5.709  -5.709
  126    HH   TYR  16           HH       TYR  16   0.830  -5.909  -5.909
  127    H    LYS  17           H        LYS  17   7.858  -2.018  -2.018
  128    HA   LYS  17           HA       LYS  17   8.168  -3.676  -3.676
  129   1HB   LYS  17          2HB       LYS  17   9.901  -2.350  -2.350
  130   2HB   LYS  17          1HB       LYS  17  10.221  -4.067  -4.067
  131   1HG   LYS  17          2HG       LYS  17   9.952  -2.819  -2.819
  132   2HG   LYS  17          1HG       LYS  17  11.456  -2.655  -2.655
  133   1HD   LYS  17          2HD       LYS  17  11.989  -4.896  -4.896
  134   2HD   LYS  17          1HD       LYS  17  10.322  -5.419  -5.419
  135   1HE   LYS  17          2HE       LYS  17   9.902  -5.177  -5.177
  136   2HE   LYS  17          1HE       LYS  17  11.056  -3.873  -3.873
  137   1HZ   LYS  17          1HZ       LYS  17  12.184  -5.629  -5.629
  138   2HZ   LYS  17          2HZ       LYS  17  12.759  -5.773  -5.773
  139    H    ALA  18           H        ALA  18   7.075  -5.566  -5.566
  140    HA   ALA  18           HA       ALA  18   5.912  -6.826  -6.826
  141   1HB   ALA  18          1HB       ALA  18   5.627  -7.151  -7.151
  142   2HB   ALA  18          2HB       ALA  18   6.985  -8.294  -8.294
  143   3HB   ALA  18          3HB       ALA  18   5.483  -8.590  -8.590
  144    H    GLN  19           H        GLN  19   6.471  -8.974  -8.974
  145    HA   GLN  19           HA       GLN  19   8.906  -8.817  -8.817
  146   1HB   GLN  19          2HB       GLN  19   6.762 -10.117 -10.117
  147   2HB   GLN  19          1HB       GLN  19   7.352 -11.404 -11.404
  148   1HG   GLN  19          2HG       GLN  19   9.241 -10.242 -10.242
  149   2HG   GLN  19          1HG       GLN  19   7.972 -11.315 -11.315
  150   1HE2  GLN  19          2HE2      GLN  19   9.138 -14.212 -14.212
  151   2HE2  GLN  19          1HE2      GLN  19   7.702 -13.358 -13.358
  152    H    SER  20           H        SER  20   8.093  -9.984  -9.984
  153    HA   SER  20           HA       SER  20  10.801 -11.032 -11.032
  154   1HB   SER  20          2HB       SER  20   9.532 -12.532 -12.532
  155   2HB   SER  20          1HB       SER  20   9.810 -13.079 -13.079
  156    HG   SER  20           HG       SER  20   7.598 -13.382 -13.382
  157    H    GLY  21           H        GLY  21   9.117  -8.451  -8.451
  158   1HA   GLY  21          1HA       GLY  21   9.309  -6.846  -6.846
  159   2HA   GLY  21          2HA       GLY  21  10.471  -7.841  -7.841
  160    H    LYS  22           H        LYS  22   7.720  -9.742  -9.742
  161    HA   LYS  22           HA       LYS  22   7.028  -9.761  -9.761
  162   1HB   LYS  22          2HB       LYS  22   6.913 -11.697 -11.697
  163   2HB   LYS  22          1HB       LYS  22   5.499 -10.952 -10.952
  164   1HG   LYS  22          2HG       LYS  22   5.542 -11.308 -11.308
  165   2HG   LYS  22          1HG       LYS  22   5.286 -12.730 -12.730
  166   1HD   LYS  22          2HD       LYS  22   3.645 -10.520 -10.520
  167   2HD   LYS  22          1HD       LYS  22   3.359 -10.765 -10.765
  168   1HE   LYS  22          2HE       LYS  22   3.411 -13.382 -13.382
  169   2HE   LYS  22          1HE       LYS  22   2.658 -12.508 -12.508
  170   1HZ   LYS  22          1HZ       LYS  22   1.385 -11.487 -11.487
  171   2HZ   LYS  22          2HZ       LYS  22   1.619 -13.022 -13.022
  172    H    THR  23           H        THR  23   4.993  -8.919  -8.919
  173    HA   THR  23           HA       THR  23   2.947  -7.734  -7.734
  174    HB   THR  23           HB       THR  23   3.678  -8.214  -8.214
  175    HG1  THR  23          1HG       THR  23   1.537  -6.756  -6.756
  176   1HG2  THR  23          1HG2      THR  23   4.431  -5.596  -5.596
  177   2HG2  THR  23          2HG2      THR  23   2.688  -5.383  -5.383
  178   3HG2  THR  23          3HG2      THR  23   3.701  -6.212  -6.212
  179    H    ALA  24           H        ALA  24   2.495  -5.160  -5.160
  180    HA   ALA  24           HA       ALA  24   4.616  -3.400  -3.400
  181   1HB   ALA  24          3HB       ALA  24   4.149  -4.751  -4.751
  182   2HB   ALA  24          1HB       ALA  24   3.233  -3.238  -3.238
  183   3HB   ALA  24          2HB       ALA  24   4.974  -3.183  -3.183
  184    H    ILE  25           H        ILE  25   3.091  -1.498  -1.498
  185    HA   ILE  25           HA       ILE  25   1.680  -0.153  -0.153
  186    HB   ILE  25           HB       ILE  25   0.845  -0.206  -0.206
  187   1HG1  ILE  25          2HG1      ILE  25   2.838   1.682   1.682
  188   2HG1  ILE  25          3HG1      ILE  25   3.500   0.403   0.403
  189   1HG2  ILE  25          2HG2      ILE  25   0.509   1.597   1.597
  190   2HG2  ILE  25          3HG2      ILE  25   1.068   2.403   2.403
  191   3HG2  ILE  25          1HG2      ILE  25  -0.435   1.449   1.449
  192   1HD1  ILE  25          2HD1      ILE  25   2.418  -1.001  -1.001
  193   2HD1  ILE  25          3HD1      ILE  25   3.084   0.471   0.471
  194   3HD1  ILE  25          1HD1      ILE  25   4.135  -0.589  -0.589
  195    H    CYS  26           H        CYS  26  -0.443  -0.058  -0.058
  196    HA   CYS  26           HA       CYS  26  -2.317  -2.000  -2.000
  197   1HB   CYS  26          2HB       CYS  26  -1.094  -3.233  -3.233
  198   2HB   CYS  26          1HB       CYS  26  -1.474  -1.987  -1.987
  199    H    LYS  27           H        LYS  27  -3.993  -0.615  -0.615
  200    HA   LYS  27           HA       LYS  27  -4.418   1.886   1.886
  201   1HB   LYS  27          2HB       LYS  27  -6.983   1.122   1.122
  202   2HB   LYS  27          1HB       LYS  27  -6.002   1.224   1.224
  203   1HG   LYS  27          2HG       LYS  27  -5.793  -1.366  -1.366
  204   2HG   LYS  27          1HG       LYS  27  -7.375  -1.032  -1.032
  205   1HD   LYS  27          2HD       LYS  27  -6.651  -1.471  -1.471
  206   2HD   LYS  27          1HD       LYS  27  -5.321  -0.341  -0.341
  207   1HE   LYS  27          2HE       LYS  27  -3.803  -1.990  -1.990
  208   2HE   LYS  27          1HE       LYS  27  -4.941  -2.865  -2.865
  209   1HZ   LYS  27          1HZ       LYS  27  -5.904  -3.112  -3.112
  210   2HZ   LYS  27          2HZ       LYS  27  -4.297  -3.328  -3.328
  211    H    CYS  28           H        CYS  28  -5.243   3.117   3.117
  212    HA   CYS  28           HA       CYS  28  -4.957   1.901   1.901
  213   1HB   CYS  28          2HB       CYS  28  -5.071   4.574   4.574
  214   2HB   CYS  28          1HB       CYS  28  -6.114   4.445   4.445
  215    H    TYR  29           H        TYR  29  -6.683   0.223   0.223
  216    HA   TYR  29           HA       TYR  29  -9.353   0.903   0.903
  217   1HB   TYR  29          2HB       TYR  29  -8.049  -1.371  -1.371
  218   2HB   TYR  29          1HB       TYR  29  -8.162  -1.339  -1.339
  219    HD1  TYR  29           HD2      TYR  29 -10.809  -0.300  -0.300
  220    HD2  TYR  29           HD1      TYR  29  -9.513  -3.234  -3.234
  221    HE1  TYR  29           HE2      TYR  29 -13.082  -1.432  -1.432
  222    HE2  TYR  29           HE1      TYR  29 -11.790  -4.356  -4.356
  223    HH   TYR  29           HH       TYR  29 -14.382  -2.949  -2.949
  224    H    VAL  30           H        VAL  30 -10.649   2.184   2.184
  225    HA   VAL  30           HA       VAL  30 -11.758   2.927   2.927
  226    HB   VAL  30           HB       VAL  30 -12.088   1.597   1.597
  227   1HG1  VAL  30          3HG1      VAL  30 -11.706   0.200   0.200
  228   2HG1  VAL  30          1HG1      VAL  30 -10.499  -0.596  -0.596
  229   3HG1  VAL  30          2HG1      VAL  30 -12.208  -0.551  -0.551
  230   1HG2  VAL  30          1HG2      VAL  30  -9.155   1.649   1.649
  231   2HG2  VAL  30          2HG2      VAL  30 -10.388   1.645   1.645
  232   3HG2  VAL  30          3HG2      VAL  30  -9.878   0.113   0.113
  233    H    LYS  31           H        LYS  31 -11.465   4.608   4.608
  234    HA   LYS  31           HA       LYS  31 -10.337   6.458   6.458
  235   1HB   LYS  31          2HB       LYS  31 -10.078   4.590   4.590
  236   2HB   LYS  31          1HB       LYS  31  -8.385   4.637   4.637
  237   1HG   LYS  31          2HG       LYS  31  -8.361   7.117   7.117
  238   2HG   LYS  31          1HG       LYS  31 -10.046   7.050   7.050
  239   1HD   LYS  31          2HD       LYS  31  -8.418   5.069   5.069
  240   2HD   LYS  31          1HD       LYS  31  -7.822   6.700   6.700
  241   1HE   LYS  31          2HE       LYS  31  -9.429   6.772   6.772
  242   2HE   LYS  31          1HE       LYS  31 -10.494   7.168   7.168
  243   1HZ   LYS  31          1HZ       LYS  31 -10.011   4.354   4.354
  244   2HZ   LYS  31          2HZ       LYS  31 -11.191   5.236   5.236
  245    H    LYS  32           H        LYS  32  -9.717   6.865   6.865
  246    HA   LYS  32           HA       LYS  32  -7.500   6.058   6.058
  247   1HB   LYS  32          2HB       LYS  32  -8.707   7.485   7.485
  248   2HB   LYS  32          1HB       LYS  32  -9.092   8.558   8.558
  249   1HG   LYS  32          2HG       LYS  32  -6.719   9.408   9.408
  250   2HG   LYS  32          1HG       LYS  32  -6.385   8.374   8.374
  251   1HD   LYS  32          2HD       LYS  32  -8.160  10.822  10.822
  252   2HD   LYS  32          1HD       LYS  32  -6.893  10.452  10.452
  253   1HE   LYS  32          2HE       LYS  32  -8.474   8.417   8.417
  254   2HE   LYS  32          1HE       LYS  32  -9.722   9.373   9.373
  255   1HZ   LYS  32          1HZ       LYS  32  -9.613   9.957   9.957
  256   2HZ   LYS  32          2HZ       LYS  32  -9.059  11.241  11.241
  257    H    CYS  33           H        CYS  33  -5.325   7.091   7.091
  258    HA   CYS  33           HA       CYS  33  -3.931   7.096   7.096
  259   1HB   CYS  33          2HB       CYS  33  -2.625   6.636   6.636
  260   2HB   CYS  33          1HB       CYS  33  -3.332   7.902   7.902
  261    HA   PRO  34           HA       PRO  34  -4.610  11.155  11.155
  262   1HB   PRO  34          2HB       PRO  34  -2.554  11.400  11.400
  263   2HB   PRO  34          1HB       PRO  34  -4.048  10.561  10.561
  264   1HG   PRO  34          2HG       PRO  34  -1.385   9.427   9.427
  265   2HG   PRO  34          1HG       PRO  34  -2.757   8.657   8.657
  266   1HD   PRO  34          2HD       PRO  34  -1.882   8.287   8.287
  267   2HD   PRO  34          1HD       PRO  34  -3.318   7.609   7.609
  268    H    ARG  35           H        ARG  35  -1.271  10.451  10.451
  269    HA   ARG  35           HA       ARG  35  -1.284  12.627  12.627
  270   1HB   ARG  35          2HB       ARG  35   0.625  13.884  13.884
  271   2HB   ARG  35          1HB       ARG  35  -0.946  14.044  14.044
  272   1HG   ARG  35          2HG       ARG  35  -0.219  13.055  13.055
  273   2HG   ARG  35          1HG       ARG  35   0.437  11.686  11.686
  274   1HD   ARG  35          2HD       ARG  35   2.551  12.754  12.754
  275   2HD   ARG  35          1HD       ARG  35   1.905  14.348  14.348
  276    HE   ARG  35           HE       ARG  35   1.664  12.502  12.502
  277   1HH1  ARG  35          2HH2      ARG  35   3.778  14.845  14.845
  278   2HH1  ARG  35          1HH2      ARG  35   4.703  15.177  15.177
  279    HH2  ARG  35          1HH       ARG  35   4.160  14.045  14.045
  280    H    ASP  36           H        ASP  36   0.408  12.367  12.367
  281    HA   ASP  36           HA       ASP  36   1.502  10.043  10.043
  282   1HB   ASP  36          2HB       ASP  36   1.999  11.596  11.596
  283   2HB   ASP  36          1HB       ASP  36   2.419  12.848  12.848
  284    HD2  ASP  36          2HD       ASP  36   3.559  10.620  10.620
  285    H    GLY  37           H        GLY  37   3.168   8.720   8.720
  286   1HA   GLY  37          1HA       GLY  37   5.225   8.357   8.357
  287   2HA   GLY  37          2HA       GLY  37   5.116   9.915   9.915
  288    H    ALA  38           H        ALA  38   2.099   9.220   9.220
  289    HA   ALA  38           HA       ALA  38   2.289   8.587   8.587
  290   1HB   ALA  38          1HB       ALA  38   0.161   8.055   8.055
  291   2HB   ALA  38          2HB       ALA  38  -0.090   7.617   7.617
  292   3HB   ALA  38          3HB       ALA  38   0.204   9.314   9.314
  293    H    LYS  39           H        LYS  39   3.150   6.898   6.898
  294    HA   LYS  39           HA       LYS  39   3.959   4.559   4.559
  295   1HB   LYS  39          2HB       LYS  39   5.051   5.476   5.476
  296   2HB   LYS  39          1HB       LYS  39   3.623   5.137   5.137
  297   1HG   LYS  39          2HG       LYS  39   4.462   2.754   2.754
  298   2HG   LYS  39          1HG       LYS  39   5.784   3.377   3.377
  299   1HD   LYS  39          2HD       LYS  39   4.419   1.753   1.753
  300   2HD   LYS  39          1HD       LYS  39   4.374   3.342   3.342
  301   1HE   LYS  39          2HE       LYS  39   2.183   3.788   3.788
  302   2HE   LYS  39          1HE       LYS  39   2.220   2.150   2.150
  303   1HZ   LYS  39          1HZ       LYS  39   2.436   1.495   1.495
  304   2HZ   LYS  39          2HZ       LYS  39   1.919   3.001   3.001
  305    H    CYS  40           H        CYS  40   3.146   2.404   2.404
  306    HA   CYS  40           HA       CYS  40   0.610   1.960   1.960
  307   1HB   CYS  40          2HB       CYS  40  -0.268   1.088   1.088
  308   2HB   CYS  40          1HB       CYS  40  -0.527   2.738   2.738
  309    H    GLU  41           H        GLU  41   0.105  -0.385  -0.385
  310    HA   GLU  41           HA       GLU  41   2.453  -1.943  -1.943
  311   1HB   GLU  41          2HB       GLU  41   0.513  -2.543  -2.543
  312   2HB   GLU  41          1HB       GLU  41   1.981  -3.424  -3.424
  313   1HG   GLU  41          2HG       GLU  41   3.213  -1.141  -1.141
  314   2HG   GLU  41          1HG       GLU  41   1.729  -0.581  -0.581
  315    HE1  GLU  41          2HE       GLU  41   1.130  -3.012  -3.012
  316    H    PHE  42           H        PHE  42   2.059  -4.139  -4.139
  317    HA   PHE  42           HA       PHE  42  -0.604  -4.343  -4.343
  318   1HB   PHE  42          2HB       PHE  42   1.336  -4.242  -4.242
  319   2HB   PHE  42          1HB       PHE  42   2.186  -5.468  -5.468
  320    HD1  PHE  42           HD2      PHE  42  -0.938  -4.979  -4.979
  321    HD2  PHE  42           HD1      PHE  42   2.056  -7.687  -7.687
  322    HE1  PHE  42           HE2      PHE  42  -1.902  -6.760  -6.760
  323    HE2  PHE  42           HE1      PHE  42   1.093  -9.468  -9.468
  324    HZ   PHE  42           HZ       PHE  42  -0.875  -8.983  -8.983
  325    H    ASP  43           H        ASP  43  -1.851  -5.487  -5.487
  326    HA   ASP  43           HA       ASP  43  -0.852  -7.458  -7.458
  327   1HB   ASP  43          2HB       ASP  43  -3.580  -6.661  -6.661
  328   2HB   ASP  43          1HB       ASP  43  -3.444  -8.203  -8.203
  329    HD2  ASP  43          2HD       ASP  43  -4.738  -7.374  -7.374
  330    H    SER  44           H        SER  44  -0.224  -9.569  -9.569
  331    HA   SER  44           HA       SER  44  -0.836 -10.522 -10.522
  332   1HB   SER  44          2HB       SER  44   0.955 -12.038 -12.038
  333   2HB   SER  44          1HB       SER  44   1.489 -10.606 -10.606
  334    HG   SER  44           HG       SER  44   0.929 -11.579 -11.579
  335    H    TYR  45           H        TYR  45  -2.912 -10.325 -10.325
  336    HA   TYR  45           HA       TYR  45  -3.518 -13.188 -13.188
  337   1HB   TYR  45          2HB       TYR  45  -4.881 -10.900 -10.900
  338   2HB   TYR  45          1HB       TYR  45  -4.556 -12.519 -12.519
  339    HD1  TYR  45           HD1      TYR  45  -1.780 -12.979 -12.979
  340    HD2  TYR  45           HD2      TYR  45  -3.775  -9.266  -9.266
  341    HE1  TYR  45           HE1      TYR  45   0.267 -12.114 -12.114
  342    HE2  TYR  45           HE2      TYR  45  -1.720  -8.412  -8.412
  343    HH   TYR  45           HH       TYR  45   0.202  -9.529  -9.529
  344    H    LYS  46           H        LYS  46  -4.509 -10.092 -10.092
  345    HA   LYS  46           HA       LYS  46  -6.886 -11.435 -11.435
  346   1HB   LYS  46          2HB       LYS  46  -6.941  -8.538  -8.538
  347   2HB   LYS  46          1HB       LYS  46  -8.284  -9.580  -9.580
  348   1HG   LYS  46          2HG       LYS  46  -7.283 -11.037 -11.037
  349   2HG   LYS  46          1HG       LYS  46  -6.698  -9.460  -9.460
  350   1HD   LYS  46          2HD       LYS  46  -9.470  -9.250  -9.250
  351   2HD   LYS  46          1HD       LYS  46  -9.330 -10.509 -10.509
  352   1HE   LYS  46          2HE       LYS  46  -8.168  -7.707  -7.707
  353   2HE   LYS  46          1HE       LYS  46  -9.762  -8.166  -8.166
  354   1HZ   LYS  46          1HZ       LYS  46  -7.202  -8.827  -8.827
  355   2HZ   LYS  46          2HZ       LYS  46  -8.667  -8.831  -8.831
  356    H    GLY  47           H        GLY  47  -4.670  -8.571  -8.571
  357   1HA   GLY  47          1HA       GLY  47  -3.364  -8.377  -8.377
  358   2HA   GLY  47          2HA       GLY  47  -4.761  -8.914  -8.914
  359    H    LYS  48           H        LYS  48  -5.208  -6.752  -6.752
  360    HA   LYS  48           HA       LYS  48  -6.416  -4.806  -4.806
  361   1HB   LYS  48          2HB       LYS  48  -6.758  -5.583  -5.583
  362   2HB   LYS  48          1HB       LYS  48  -5.843  -4.104  -4.104
  363   1HG   LYS  48          2HG       LYS  48  -8.013  -3.247  -3.247
  364   2HG   LYS  48          1HG       LYS  48  -7.546  -3.107  -3.107
  365   1HD   LYS  48          2HD       LYS  48  -9.816  -4.132  -4.132
  366   2HD   LYS  48          1HD       LYS  48  -8.706  -5.187  -5.187
  367   1HE   LYS  48          2HE       LYS  48  -8.756  -6.770  -6.770
  368   2HE   LYS  48          1HE       LYS  48  -8.591  -5.579  -5.579
  369   1HZ   LYS  48          1HZ       LYS  48 -10.838  -6.896  -6.896
  370   2HZ   LYS  48          2HZ       LYS  48 -10.861  -5.357  -5.357
  371    H    CYS  49           H        CYS  49  -5.397  -2.532  -2.532
  372    HA   CYS  49           HA       CYS  49  -2.621  -2.364  -2.364
  373   1HB   CYS  49          2HB       CYS  49  -3.780  -0.052  -0.052
  374   2HB   CYS  49          1HB       CYS  49  -2.644  -1.217  -1.217
  375    H    TYR  50           H        TYR  50  -3.044  -2.262  -2.262
  376    HA   TYR  50           HA       TYR  50  -4.474  -0.371  -0.371
  377   1HB   TYR  50          2HB       TYR  50  -1.782  -1.755  -1.755
  378   2HB   TYR  50          1HB       TYR  50  -2.167  -0.499  -0.499
  379    HD1  TYR  50           HD2      TYR  50  -3.778  -3.532  -3.532
  380    HD2  TYR  50           HD1      TYR  50  -3.210  -1.135  -1.135
  381    HE1  TYR  50           HE2      TYR  50  -5.122  -5.199  -5.199
  382    HE2  TYR  50           HE1      TYR  50  -4.557  -2.811  -2.811
  383    HH   TYR  50           HH       TYR  50  -5.954  -5.686  -5.686
  384    H    CYS  51           H        CYS  51  -4.640   1.684   1.684
  385    HA   CYS  51           HA       CYS  51  -2.164   3.235   3.235
  386   1HB   CYS  51          2HB       CYS  51  -4.263   3.551   3.551
  387   2HB   CYS  51          1HB       CYS  51  -2.798   4.496   4.496

  Start of MODEL    2
    1    H    ALA   1           H        ALA   1   3.211 -11.773 -11.773
    2    HA   ALA   1           HA       ALA   1   4.880 -10.833 -10.833
    3   1HB   ALA   1          3HB       ALA   1   2.673 -12.575 -12.575
    4   2HB   ALA   1          1HB       ALA   1   3.316 -11.689 -11.689
    5   3HB   ALA   1          2HB       ALA   1   4.401 -12.689 -12.689
    6    H    THR   2           H        THR   2   2.787  -8.709  -8.709
    7    HA   THR   2           HA       THR   2   2.030  -7.404  -7.404
    8    HB   THR   2           HB       THR   2   2.338  -5.973  -5.973
    9    HG1  THR   2          1HG       THR   2   0.297  -7.274  -7.274
   10   1HG2  THR   2          2HG2      THR   2   0.848  -5.554  -5.554
   11   2HG2  THR   2          3HG2      THR   2  -0.330  -6.248  -6.248
   12   3HG2  THR   2          1HG2      THR   2   0.558  -4.766  -4.766
   13    H    TYR   3           H        TYR   3   3.128  -6.117  -6.117
   14    HA   TYR   3           HA       TYR   3   5.902  -5.611  -5.611
   15   1HB   TYR   3          2HB       TYR   3   4.138  -4.755  -4.755
   16   2HB   TYR   3          1HB       TYR   3   5.884  -4.911  -4.911
   17    HD1  TYR   3           HD2      TYR   3   5.325  -7.642  -7.642
   18    HD2  TYR   3           HD1      TYR   3   4.321  -6.196  -6.196
   19    HE1  TYR   3           HE2      TYR   3   5.100 -10.033 -10.033
   20    HE2  TYR   3           HE1      TYR   3   4.099  -8.592  -8.592
   21    HH   TYR   3           HH       TYR   3   3.744 -10.737 -10.737
   22    H    ASN   4           H        ASN   4   6.337  -3.208  -3.208
   23    HA   ASN   4           HA       ASN   4   4.600  -1.250  -1.250
   24   1HB   ASN   4          2HB       ASN   4   7.384  -1.803  -1.803
   25   2HB   ASN   4          1HB       ASN   4   6.939  -0.118  -0.118
   26   1HD2  ASN   4          2HD2      ASN   4   5.048  -2.572  -2.572
   27   2HD2  ASN   4          1HD2      ASN   4   5.901  -3.206  -3.206
   28    H    GLY   5           H        GLY   5   4.842   0.804   0.804
   29   1HA   GLY   5          1HA       GLY   5   7.061   1.313   1.313
   30   2HA   GLY   5          2HA       GLY   5   5.658   0.756   0.756
   31    H    LYS   6           H        LYS   6   4.748   2.542   2.542
   32    HA   LYS   6           HA       LYS   6   3.844   4.636   4.636
   33   1HB   LYS   6          2HB       LYS   6   5.442   5.295   5.295
   34   2HB   LYS   6          1HB       LYS   6   4.744   6.431   6.431
   35   1HG   LYS   6          2HG       LYS   6   6.207   5.580   5.580
   36   2HG   LYS   6          1HG       LYS   6   6.850   4.345   4.345
   37   1HD   LYS   6          2HD       LYS   6   7.600   6.269   6.269
   38   2HD   LYS   6          1HD       LYS   6   7.204   7.363   7.363
   39   1HE   LYS   6          2HE       LYS   6   9.219   6.945   6.945
   40   2HE   LYS   6          1HE       LYS   6   8.769   5.264   5.264
   41   1HZ   LYS   6          1HZ       LYS   6  10.590   6.364   6.364
   42   2HZ   LYS   6          2HZ       LYS   6  10.323   4.795   4.795
   43    H    CYS   7           H        CYS   7   2.283   6.146   6.146
   44    HA   CYS   7           HA       CYS   7   1.062   4.772   4.772
   45   1HB   CYS   7          2HB       CYS   7  -1.205   5.155   5.155
   46   2HB   CYS   7          1HB       CYS   7  -0.247   3.824   3.824
   47    H    TYR   8           H        TYR   8  -0.353   6.267   6.267
   48    HA   TYR   8           HA       TYR   8   0.312   9.075   9.075
   49   1HB   TYR   8          2HB       TYR   8  -0.339   7.521   7.521
   50   2HB   TYR   8          1HB       TYR   8  -0.002   9.240   9.240
   51    HD1  TYR   8           HD2      TYR   8   2.178   8.356   8.356
   52    HD2  TYR   8           HD1      TYR   8   1.553   7.593   7.593
   53    HE1  TYR   8           HE2      TYR   8   4.657   7.876   7.876
   54    HE2  TYR   8           HE1      TYR   8   4.035   7.115   7.115
   55    HH   TYR   8           HH       TYR   8   6.270   7.570   7.570
   56    H    LYS   9           H        LYS   9  -1.325  10.628  10.628
   57    HA   LYS   9           HA       LYS   9  -3.983   9.562   9.562
   58   1HB   LYS   9          2HB       LYS   9  -4.566  11.826  11.826
   59   2HB   LYS   9          1HB       LYS   9  -3.155  11.254  11.254
   60   1HG   LYS   9          2HG       LYS   9  -2.399  13.364  13.364
   61   2HG   LYS   9          1HG       LYS   9  -1.822  12.430  12.430
   62   1HD   LYS   9          2HD       LYS   9  -2.922  14.082  14.082
   63   2HD   LYS   9          1HD       LYS   9  -4.280  12.998  12.998
   64   1HE   LYS   9          2HE       LYS   9  -5.381  14.521  14.521
   65   2HE   LYS   9          1HE       LYS   9  -4.004  14.706  14.706
   66   1HZ   LYS   9          1HZ       LYS   9  -4.851  16.445  16.445
   67   2HZ   LYS   9          2HZ       LYS   9  -3.726  16.716  16.716
   68    H    LYS  10           H        LYS  10  -2.201  11.791  11.791
   69    HA   LYS  10           HA       LYS  10  -4.333  12.440  12.440
   70   1HB   LYS  10          2HB       LYS  10  -1.637  13.007  13.007
   71   2HB   LYS  10          1HB       LYS  10  -1.760  12.095  12.095
   72   1HG   LYS  10          2HG       LYS  10  -3.106  13.682  13.682
   73   2HG   LYS  10          1HG       LYS  10  -3.886  14.161  14.161
   74   1HD   LYS  10          2HD       LYS  10  -1.065  14.816  14.816
   75   2HD   LYS  10          1HD       LYS  10  -1.693  15.444  15.444
   76   1HE   LYS  10          2HE       LYS  10  -3.642  16.443  16.443
   77   2HE   LYS  10          1HE       LYS  10  -2.765  15.998  15.998
   78   1HZ   LYS  10          1HZ       LYS  10  -2.135  18.082  18.082
   79   2HZ   LYS  10          2HZ       LYS  10  -1.882  18.064  18.064
   80    H    ASP  11           H        ASP  11  -2.249   9.524   9.524
   81    HA   ASP  11           HA       ASP  11  -3.751   8.504   8.504
   82   1HB   ASP  11          2HB       ASP  11  -1.064   8.050   8.050
   83   2HB   ASP  11          1HB       ASP  11  -1.884   6.555   6.555
   84    HD2  ASP  11          2HD       ASP  11   0.233   6.987   6.987
   85    H    ASN  12           H        ASN  12  -3.774   8.591   8.591
   86    HA   ASN  12           HA       ASN  12  -4.470   7.273   7.273
   87   1HB   ASN  12          2HB       ASN  12  -6.581   8.053   8.053
   88   2HB   ASN  12          1HB       ASN  12  -6.629   6.467   6.467
   89   1HD2  ASN  12          2HD2      ASN  12  -8.859   5.767   5.767
   90   2HD2  ASN  12          1HD2      ASN  12  -8.703   6.271   6.271
   91    H    ILE  13           H        ILE  13  -2.416   5.855   5.855
   92    HA   ILE  13           HA       ILE  13  -3.441   3.128   3.128
   93    HB   ILE  13           HB       ILE  13  -1.623   2.627   2.627
   94   1HG1  ILE  13          2HG1      ILE  13  -0.928   4.749   4.749
   95   2HG1  ILE  13          3HG1      ILE  13  -1.284   5.614   5.614
   96   1HG2  ILE  13          2HG2      ILE  13  -4.172   3.824   3.824
   97   2HG2  ILE  13          3HG2      ILE  13  -3.060   4.422   4.422
   98   3HG2  ILE  13          1HG2      ILE  13  -3.290   2.671   2.671
   99   1HD1  ILE  13          3HD1      ILE  13   0.298   3.185   3.185
  100   2HD1  ILE  13          1HD1      ILE  13   1.116   4.309   4.309
  101   3HD1  ILE  13          2HD1      ILE  13   0.608   4.865   4.865
  102    H    CYS  14           H        CYS  14  -1.724   1.497   1.497
  103    HA   CYS  14           HA       CYS  14   0.017   2.721   2.721
  104   1HB   CYS  14          2HB       CYS  14  -1.634   1.495   1.495
  105   2HB   CYS  14          1HB       CYS  14  -1.542   0.146   0.146
  106    H    LYS  15           H        LYS  15   2.113   2.684   2.684
  107    HA   LYS  15           HA       LYS  15   2.879   0.404   0.404
  108   1HB   LYS  15          2HB       LYS  15   4.246   1.780   1.780
  109   2HB   LYS  15          1HB       LYS  15   2.944   2.885   2.885
  110   1HG   LYS  15          2HG       LYS  15   4.346   3.552   3.552
  111   2HG   LYS  15          1HG       LYS  15   5.674   2.686   2.686
  112   1HD   LYS  15          2HD       LYS  15   4.177   4.713   4.713
  113   2HD   LYS  15          1HD       LYS  15   5.285   5.305   5.305
  114   1HE   LYS  15          2HE       LYS  15   6.803   5.093   5.093
  115   2HE   LYS  15          1HE       LYS  15   6.916   3.459   3.459
  116   1HZ   LYS  15          1HZ       LYS  15   5.975   4.273   4.273
  117   2HZ   LYS  15          2HZ       LYS  15   6.175   2.751   2.751
  118    H    TYR  16           H        TYR  16   4.453  -0.979  -0.979
  119    HA   TYR  16           HA       TYR  16   6.374  -0.165  -0.165
  120   1HB   TYR  16          2HB       TYR  16   5.499  -1.924  -1.924
  121   2HB   TYR  16          1HB       TYR  16   4.432  -0.546  -0.546
  122    HD1  TYR  16           HD1      TYR  16   2.590  -0.847  -0.847
  123    HD2  TYR  16           HD2      TYR  16   4.551  -4.041  -4.041
  124    HE1  TYR  16           HE1      TYR  16   0.677  -2.413  -2.413
  125    HE2  TYR  16           HE2      TYR  16   2.632  -5.597  -5.597
  126    HH   TYR  16           HH       TYR  16   0.834  -5.846  -5.846
  127    H    LYS  17           H        LYS  17   7.949  -1.906  -1.906
  128    HA   LYS  17           HA       LYS  17   8.164  -3.636  -3.636
  129   1HB   LYS  17          2HB       LYS  17  10.021  -2.165  -2.165
  130   2HB   LYS  17          1HB       LYS  17  10.150  -3.455  -3.455
  131   1HG   LYS  17          2HG       LYS  17  10.034  -4.507  -4.507
  132   2HG   LYS  17          1HG       LYS  17  11.362  -3.383  -3.383
  133   1HD   LYS  17          2HD       LYS  17  12.137  -4.661  -4.661
  134   2HD   LYS  17          1HD       LYS  17  10.808  -5.785  -5.785
  135   1HE   LYS  17          2HE       LYS  17  11.690  -6.642  -6.642
  136   2HE   LYS  17          1HE       LYS  17  12.770  -5.278  -5.278
  137   1HZ   LYS  17          1HZ       LYS  17  13.839  -6.104  -6.104
  138   2HZ   LYS  17          2HZ       LYS  17  13.037  -7.501  -7.501
  139    H    ALA  18           H        ALA  18   7.084  -5.535  -5.535
  140    HA   ALA  18           HA       ALA  18   6.011  -6.728  -6.728
  141   1HB   ALA  18          3HB       ALA  18   5.612  -7.119  -7.119
  142   2HB   ALA  18          1HB       ALA  18   6.966  -8.270  -8.270
  143   3HB   ALA  18          2HB       ALA  18   5.502  -8.525  -8.525
  144    H    GLN  19           H        GLN  19   6.615  -8.844  -8.844
  145    HA   GLN  19           HA       GLN  19   9.141  -8.655  -8.655
  146   1HB   GLN  19          2HB       GLN  19   6.908  -9.939  -9.939
  147   2HB   GLN  19          1HB       GLN  19   7.694 -11.299 -11.299
  148   1HG   GLN  19          2HG       GLN  19   9.685 -11.025 -11.025
  149   2HG   GLN  19          1HG       GLN  19   9.000  -9.581  -9.581
  150   1HE2  GLN  19          2HE2      GLN  19   8.387 -12.297 -12.297
  151   2HE2  GLN  19          1HE2      GLN  19   9.720 -11.421 -11.421
  152    H    SER  20           H        SER  20   8.091  -9.926  -9.926
  153    HA   SER  20           HA       SER  20  10.726 -11.122 -11.122
  154   1HB   SER  20          2HB       SER  20   9.282 -12.620 -12.620
  155   2HB   SER  20          1HB       SER  20   9.612 -13.118 -13.118
  156    HG   SER  20           HG       SER  20   7.556 -12.384 -12.384
  157    H    GLY  21           H        GLY  21   8.992  -8.522  -8.522
  158   1HA   GLY  21          1HA       GLY  21   9.229  -6.971  -6.971
  159   2HA   GLY  21          2HA       GLY  21  10.283  -8.058  -8.058
  160    H    LYS  22           H        LYS  22   7.579  -9.892  -9.892
  161    HA   LYS  22           HA       LYS  22   6.683  -9.932  -9.932
  162   1HB   LYS  22          2HB       LYS  22   6.601 -11.810 -11.810
  163   2HB   LYS  22          1HB       LYS  22   5.252 -10.991 -10.991
  164   1HG   LYS  22          2HG       LYS  22   4.307 -10.949 -10.949
  165   2HG   LYS  22          1HG       LYS  22   5.386 -12.318 -12.318
  166   1HD   LYS  22          2HD       LYS  22   4.231 -13.109 -13.109
  167   2HD   LYS  22          1HD       LYS  22   2.945 -12.044 -12.044
  168   1HE   LYS  22          2HE       LYS  22   2.250 -13.969 -13.969
  169   2HE   LYS  22          1HE       LYS  22   3.317 -13.355 -13.355
  170   1HZ   LYS  22          1HZ       LYS  22   4.633 -15.137 -15.137
  171   2HZ   LYS  22          2HZ       LYS  22   4.810 -14.866 -14.866
  172    H    THR  23           H        THR  23   4.862  -8.928  -8.928
  173    HA   THR  23           HA       THR  23   2.780  -7.706  -7.706
  174    HB   THR  23           HB       THR  23   3.664  -8.133  -8.133
  175    HG1  THR  23          1HG       THR  23   1.477  -8.258  -8.258
  176   1HG2  THR  23          2HG2      THR  23   4.443  -5.546  -5.546
  177   2HG2  THR  23          3HG2      THR  23   2.721  -5.284  -5.284
  178   3HG2  THR  23          1HG2      THR  23   3.770  -6.092  -6.092
  179    H    ALA  24           H        ALA  24   2.448  -5.107  -5.107
  180    HA   ALA  24           HA       ALA  24   4.590  -3.412  -3.412
  181   1HB   ALA  24          1HB       ALA  24   4.114  -4.843  -4.843
  182   2HB   ALA  24          2HB       ALA  24   3.149  -3.371  -3.371
  183   3HB   ALA  24          3HB       ALA  24   4.892  -3.244  -3.244
  184    H    ILE  25           H        ILE  25   3.045  -1.578  -1.578
  185    HA   ILE  25           HA       ILE  25   1.632  -0.198  -0.198
  186    HB   ILE  25           HB       ILE  25   1.038  -0.109  -0.109
  187   1HG1  ILE  25          2HG1      ILE  25   3.533   0.657   0.657
  188   2HG1  ILE  25          3HG1      ILE  25   3.342  -0.064  -0.064
  189   1HG2  ILE  25          2HG2      ILE  25  -0.042   1.317   1.317
  190   2HG2  ILE  25          3HG2      ILE  25   1.318   2.362   2.362
  191   3HG2  ILE  25          1HG2      ILE  25   0.095   1.892   1.892
  192   1HD1  ILE  25          3HD1      ILE  25   2.077   2.298   2.298
  193   2HD1  ILE  25          1HD1      ILE  25   3.210   2.814   2.814
  194   3HD1  ILE  25          2HD1      ILE  25   3.829   2.080   2.080
  195    H    CYS  26           H        CYS  26  -0.430  -0.235  -0.235
  196    HA   CYS  26           HA       CYS  26  -2.323  -2.018  -2.018
  197   1HB   CYS  26          2HB       CYS  26  -1.059  -3.132  -3.132
  198   2HB   CYS  26          1HB       CYS  26  -1.998  -2.076  -2.076
  199    H    LYS  27           H        LYS  27  -3.929  -0.577  -0.577
  200    HA   LYS  27           HA       LYS  27  -4.330   1.917   1.917
  201   1HB   LYS  27          2HB       LYS  27  -5.585   0.950   0.950
  202   2HB   LYS  27          1HB       LYS  27  -6.409  -0.159  -0.159
  203   1HG   LYS  27          2HG       LYS  27  -7.569   1.674   1.674
  204   2HG   LYS  27          1HG       LYS  27  -6.603   2.873   2.873
  205   1HD   LYS  27          2HD       LYS  27  -8.651   0.983   0.983
  206   2HD   LYS  27          1HD       LYS  27  -8.788   2.723   2.723
  207   1HE   LYS  27          2HE       LYS  27  -6.443   2.622   2.622
  208   2HE   LYS  27          1HE       LYS  27  -7.134   1.110   1.110
  209   1HZ   LYS  27          1HZ       LYS  27  -7.731   3.209   3.209
  210   2HZ   LYS  27          2HZ       LYS  27  -8.978   2.236   2.236
  211    H    CYS  28           H        CYS  28  -5.818   2.980   2.980
  212    HA   CYS  28           HA       CYS  28  -5.688   1.615   1.615
  213   1HB   CYS  28          2HB       CYS  28  -5.611   4.347   4.347
  214   2HB   CYS  28          1HB       CYS  28  -6.894   4.158   4.158
  215    H    TYR  29           H        TYR  29  -7.347  -0.007  -0.007
  216    HA   TYR  29           HA       TYR  29  -9.973   0.808   0.808
  217   1HB   TYR  29          2HB       TYR  29  -9.264  -1.435  -1.435
  218   2HB   TYR  29          1HB       TYR  29  -8.478  -1.660  -1.660
  219    HD1  TYR  29           HD2      TYR  29 -11.948  -0.989  -0.989
  220    HD2  TYR  29           HD1      TYR  29  -9.478  -3.159  -3.159
  221    HE1  TYR  29           HE2      TYR  29 -13.988  -2.240  -2.240
  222    HE2  TYR  29           HE1      TYR  29 -11.526  -4.403  -4.403
  223    HH   TYR  29           HH       TYR  29 -13.653  -4.923  -4.923
  224    H    VAL  30           H        VAL  30  -8.358   1.552   1.552
  225    HA   VAL  30           HA       VAL  30 -10.761   1.189   1.189
  226    HB   VAL  30           HB       VAL  30  -8.005   1.407   1.407
  227   1HG1  VAL  30          1HG1      VAL  30 -10.659   1.047   1.047
  228   2HG1  VAL  30          2HG1      VAL  30  -9.729  -0.429  -0.429
  229   3HG1  VAL  30          3HG1      VAL  30  -9.132   1.153   1.153
  230   1HG2  VAL  30          1HG2      VAL  30  -7.887  -0.401  -0.401
  231   2HG2  VAL  30          2HG2      VAL  30  -7.747  -1.016  -1.016
  232   3HG2  VAL  30          3HG2      VAL  30  -9.278  -1.196  -1.196
  233    H    LYS  31           H        LYS  31  -8.988   2.862   2.862
  234    HA   LYS  31           HA       LYS  31 -10.199   5.317   5.317
  235   1HB   LYS  31          2HB       LYS  31  -8.634   4.140   4.140
  236   2HB   LYS  31          1HB       LYS  31  -8.052   5.757   5.757
  237   1HG   LYS  31          2HG       LYS  31 -10.034   6.768   6.768
  238   2HG   LYS  31          1HG       LYS  31 -11.029   5.446   5.446
  239   1HD   LYS  31          2HD       LYS  31  -9.742   4.152   4.152
  240   2HD   LYS  31          1HD       LYS  31  -9.668   5.784   5.784
  241   1HE   LYS  31          2HE       LYS  31 -11.750   5.240   5.240
  242   2HE   LYS  31          1HE       LYS  31 -12.275   5.771   5.771
  243   1HZ   LYS  31          1HZ       LYS  31 -12.799   3.658   3.658
  244   2HZ   LYS  31          2HZ       LYS  31 -11.460   3.000   3.000
  245    H    LYS  32           H        LYS  32  -9.693   6.714   6.714
  246    HA   LYS  32           HA       LYS  32  -7.677   6.525   6.525
  247   1HB   LYS  32          2HB       LYS  32  -9.596   8.087   8.087
  248   2HB   LYS  32          1HB       LYS  32  -8.834   9.117   9.117
  249   1HG   LYS  32          2HG       LYS  32  -7.116   9.790   9.790
  250   2HG   LYS  32          1HG       LYS  32  -7.228   8.338   8.338
  251   1HD   LYS  32          2HD       LYS  32  -8.132  10.331  10.331
  252   2HD   LYS  32          1HD       LYS  32  -9.353   9.093   9.093
  253   1HE   LYS  32          2HE       LYS  32 -10.543  10.332  10.332
  254   2HE   LYS  32          1HE       LYS  32  -9.121  11.187  11.187
  255   1HZ   LYS  32          1HZ       LYS  32 -10.960  12.080  12.080
  256   2HZ   LYS  32          2HZ       LYS  32  -9.591  12.835  12.835
  257    H    CYS  33           H        CYS  33  -5.597   7.615   7.615
  258    HA   CYS  33           HA       CYS  33  -3.997   7.356   7.356
  259   1HB   CYS  33          2HB       CYS  33  -2.781   6.836   6.836
  260   2HB   CYS  33          1HB       CYS  33  -3.589   8.008   8.008
  261    HA   PRO  34           HA       PRO  34  -4.297  11.457  11.457
  262   1HB   PRO  34          2HB       PRO  34  -2.035  11.640  11.640
  263   2HB   PRO  34          1HB       PRO  34  -3.503  10.862  10.862
  264   1HG   PRO  34          2HG       PRO  34  -0.977   9.621   9.621
  265   2HG   PRO  34          1HG       PRO  34  -2.273   8.912   8.912
  266   1HD   PRO  34          2HD       PRO  34  -1.744   8.483   8.483
  267   2HD   PRO  34          1HD       PRO  34  -3.105   7.867   7.867
  268    H    ARG  35           H        ARG  35  -1.087  10.636  10.636
  269    HA   ARG  35           HA       ARG  35  -1.213  12.686  12.686
  270   1HB   ARG  35          2HB       ARG  35   0.567  14.188  14.188
  271   2HB   ARG  35          1HB       ARG  35  -0.847  14.180  14.180
  272   1HG   ARG  35          2HG       ARG  35   0.651  12.074  12.074
  273   2HG   ARG  35          1HG       ARG  35   1.899  13.201  13.201
  274   1HD   ARG  35          2HD       ARG  35   0.243  14.974  14.974
  275   2HD   ARG  35          1HD       ARG  35  -0.252  13.540  13.540
  276    HE   ARG  35           HE       ARG  35   1.894  13.401  13.401
  277   1HH1  ARG  35          2HH2      ARG  35   1.849  15.926  15.926
  278   2HH1  ARG  35          1HH2      ARG  35   3.362  16.610  16.610
  279    HH2  ARG  35          1HH       ARG  35   4.546  15.640  15.640
  280    H    ASP  36           H        ASP  36   0.535  12.477  12.477
  281    HA   ASP  36           HA       ASP  36   1.620  10.145  10.145
  282   1HB   ASP  36          2HB       ASP  36   2.124  11.695  11.695
  283   2HB   ASP  36          1HB       ASP  36   2.574  12.940  12.940
  284    HD2  ASP  36          2HD       ASP  36   5.839  12.427  12.427
  285    H    GLY  37           H        GLY  37   3.329   8.841   8.841
  286   1HA   GLY  37          1HA       GLY  37   5.367   8.480   8.480
  287   2HA   GLY  37          2HA       GLY  37   5.248  10.038  10.038
  288    H    ALA  38           H        ALA  38   2.267   9.432   9.432
  289    HA   ALA  38           HA       ALA  38   2.449   8.759   8.759
  290   1HB   ALA  38          1HB       ALA  38   0.260   8.007   8.007
  291   2HB   ALA  38          2HB       ALA  38   0.075   8.023   8.023
  292   3HB   ALA  38          3HB       ALA  38   0.400   9.539   9.539
  293    H    LYS  39           H        LYS  39   3.225   7.047   7.047
  294    HA   LYS  39           HA       LYS  39   4.019   4.698   4.698
  295   1HB   LYS  39          2HB       LYS  39   5.156   5.612   5.612
  296   2HB   LYS  39          1HB       LYS  39   3.742   5.288   5.288
  297   1HG   LYS  39          2HG       LYS  39   4.539   2.898   2.898
  298   2HG   LYS  39          1HG       LYS  39   5.876   3.507   3.507
  299   1HD   LYS  39          2HD       LYS  39   3.437   3.616   3.616
  300   2HD   LYS  39          1HD       LYS  39   3.616   2.008   2.008
  301   1HE   LYS  39          2HE       LYS  39   4.909   1.753   1.753
  302   2HE   LYS  39          1HE       LYS  39   6.154   2.298   2.298
  303   1HZ   LYS  39          1HZ       LYS  39   4.618   4.198   4.198
  304   2HZ   LYS  39          2HZ       LYS  39   6.017   3.533   3.533
  305    H    CYS  40           H        CYS  40   3.173   2.558   2.558
  306    HA   CYS  40           HA       CYS  40   0.599   2.221   2.221
  307   1HB   CYS  40          2HB       CYS  40  -0.196   3.095   3.095
  308   2HB   CYS  40          1HB       CYS  40   0.953   2.169   2.169
  309    H    GLU  41           H        GLU  41  -0.044  -0.175  -0.175
  310    HA   GLU  41           HA       GLU  41   2.337  -1.797  -1.797
  311   1HB   GLU  41          2HB       GLU  41   0.630  -2.977  -2.977
  312   2HB   GLU  41          1HB       GLU  41   2.320  -2.527  -2.527
  313   1HG   GLU  41          2HG       GLU  41  -0.026  -0.599  -0.599
  314   2HG   GLU  41          1HG       GLU  41   0.882  -1.315  -1.315
  315    HE2  GLU  41          2HE       GLU  41   2.189   1.345   1.345
  316    H    PHE  42           H        PHE  42   1.959  -3.955  -3.955
  317    HA   PHE  42           HA       PHE  42  -0.723  -4.237  -4.237
  318   1HB   PHE  42          2HB       PHE  42   1.179  -4.064  -4.064
  319   2HB   PHE  42          1HB       PHE  42   2.080  -5.278  -5.278
  320    HD1  PHE  42          2HD       PHE  42  -1.297  -4.990  -4.990
  321    HD2  PHE  42          1HD       PHE  42   2.178  -7.349  -7.349
  322    HE1  PHE  42          2HE       PHE  42  -2.257  -6.779  -6.779
  323    HE2  PHE  42          1HE       PHE  42   1.218  -9.138  -9.138
  324    HZ   PHE  42           HZ       PHE  42  -0.988  -8.832  -8.832
  325    H    ASP  43           H        ASP  43  -1.970  -5.559  -5.559
  326    HA   ASP  43           HA       ASP  43  -0.806  -7.485  -7.485
  327   1HB   ASP  43          2HB       ASP  43  -3.600  -6.710  -6.710
  328   2HB   ASP  43          1HB       ASP  43  -3.389  -8.259  -8.259
  329    HD1  ASP  43          2HD       ASP  43  -2.397  -4.992  -4.992
  330    H    SER  44           H        SER  44  -0.254  -9.613  -9.613
  331    HA   SER  44           HA       SER  44  -0.949 -10.490 -10.490
  332   1HB   SER  44          2HB       SER  44   0.769 -12.172 -12.172
  333   2HB   SER  44          1HB       SER  44   1.407 -10.647 -10.647
  334    HG   SER  44           HG       SER  44   0.567 -12.946 -12.946
  335    H    TYR  45           H        TYR  45  -3.020 -10.321 -10.321
  336    HA   TYR  45           HA       TYR  45  -3.605 -13.187 -13.187
  337   1HB   TYR  45          2HB       TYR  45  -4.957 -10.877 -10.877
  338   2HB   TYR  45          1HB       TYR  45  -4.676 -12.502 -12.502
  339    HD1  TYR  45           HD1      TYR  45  -1.760 -12.824 -12.824
  340    HD2  TYR  45           HD2      TYR  45  -3.975  -9.472  -9.472
  341    HE1  TYR  45           HE1      TYR  45   0.295 -12.008 -12.008
  342    HE2  TYR  45           HE2      TYR  45  -1.913  -8.667  -8.667
  343    HH   TYR  45           HH       TYR  45   1.180 -10.350 -10.350
  344    H    LYS  46           H        LYS  46  -4.618 -10.091 -10.091
  345    HA   LYS  46           HA       LYS  46  -7.027 -11.436 -11.436
  346   1HB   LYS  46          2HB       LYS  46  -6.799  -8.582  -8.582
  347   2HB   LYS  46          1HB       LYS  46  -8.176  -9.220  -9.220
  348   1HG   LYS  46          2HG       LYS  46  -7.990 -11.140 -11.140
  349   2HG   LYS  46          1HG       LYS  46  -7.259  -9.818  -9.818
  350   1HD   LYS  46          2HD       LYS  46  -9.251  -8.731  -8.731
  351   2HD   LYS  46          1HD       LYS  46  -9.693  -8.966  -8.966
  352   1HE   LYS  46          2HE       LYS  46 -10.169 -11.447 -11.447
  353   2HE   LYS  46          1HE       LYS  46 -10.080 -10.905 -10.905
  354   1HZ   LYS  46          1HZ       LYS  46 -12.099 -10.261 -10.261
  355   2HZ   LYS  46          2HZ       LYS  46 -12.295 -10.546 -10.546
  356    H    GLY  47           H        GLY  47  -4.777  -8.618  -8.618
  357   1HA   GLY  47          1HA       GLY  47  -3.473  -8.596  -8.596
  358   2HA   GLY  47          2HA       GLY  47  -4.882  -9.182  -9.182
  359    H    LYS  48           H        LYS  48  -5.231  -6.800  -6.800
  360    HA   LYS  48           HA       LYS  48  -6.168  -4.892  -4.892
  361   1HB   LYS  48          2HB       LYS  48  -6.470  -4.874  -4.874
  362   2HB   LYS  48          1HB       LYS  48  -7.233  -3.769  -3.769
  363   1HG   LYS  48          2HG       LYS  48  -7.682  -6.783  -6.783
  364   2HG   LYS  48          1HG       LYS  48  -8.830  -5.528  -5.528
  365   1HD   LYS  48          2HD       LYS  48  -9.612  -5.718  -5.718
  366   2HD   LYS  48          1HD       LYS  48  -8.168  -4.857  -4.857
  367   1HE   LYS  48          2HE       LYS  48  -7.306  -6.706  -6.706
  368   2HE   LYS  48          1HE       LYS  48  -7.560  -7.688  -7.688
  369   1HZ   LYS  48          1HZ       LYS  48  -9.965  -7.028  -7.028
  370   2HZ   LYS  48          2HZ       LYS  48  -8.935  -8.039  -8.039
  371    H    CYS  49           H        CYS  49  -5.774  -2.500  -2.500
  372    HA   CYS  49           HA       CYS  49  -2.885  -2.399  -2.399
  373   1HB   CYS  49          2HB       CYS  49  -3.984  -0.095  -0.095
  374   2HB   CYS  49          1HB       CYS  49  -2.452  -0.927  -0.927
  375    H    TYR  50           H        TYR  50  -3.082  -2.015  -2.015
  376    HA   TYR  50           HA       TYR  50  -5.064  -0.232  -0.232
  377   1HB   TYR  50          2HB       TYR  50  -2.588  -1.756  -1.756
  378   2HB   TYR  50          1HB       TYR  50  -3.357  -0.617  -0.617
  379    HD1  TYR  50           HD2      TYR  50  -3.774  -3.814  -3.814
  380    HD2  TYR  50           HD1      TYR  50  -5.490  -1.111  -1.111
  381    HE1  TYR  50           HE2      TYR  50  -5.436  -5.602  -5.602
  382    HE2  TYR  50           HE1      TYR  50  -7.146  -2.908  -2.908
  383    HH   TYR  50           HH       TYR  50  -7.006  -6.150  -6.150
  384    H    CYS  51           H        CYS  51  -4.557   1.697   1.697
  385    HA   CYS  51           HA       CYS  51  -2.025   2.941   2.941
  386   1HB   CYS  51          2HB       CYS  51  -4.604   3.850   3.850
  387   2HB   CYS  51          1HB       CYS  51  -3.192   4.880   4.880

  Start of MODEL    3
    1    H    ALA   1           H        ALA   1   2.385 -12.147 -12.147
    2    HA   ALA   1           HA       ALA   1   4.376 -10.910 -10.910
    3   1HB   ALA   1          1HB       ALA   1   2.475 -12.795 -12.795
    4   2HB   ALA   1          2HB       ALA   1   3.171 -11.774 -11.774
    5   3HB   ALA   1          3HB       ALA   1   4.240 -12.713 -12.713
    6    H    THR   2           H        THR   2   2.810  -8.717  -8.717
    7    HA   THR   2           HA       THR   2   1.857  -7.429  -7.429
    8    HB   THR   2           HB       THR   2   2.258  -6.027  -6.027
    9    HG1  THR   2          1HG       THR   2   0.275  -8.082  -8.082
   10   1HG2  THR   2          2HG2      THR   2   0.708  -5.591  -5.591
   11   2HG2  THR   2          3HG2      THR   2  -0.445  -6.181  -6.181
   12   3HG2  THR   2          1HG2      THR   2   0.542  -4.738  -4.738
   13    H    TYR   3           H        TYR   3   2.821  -5.833  -5.833
   14    HA   TYR   3           HA       TYR   3   5.674  -5.500  -5.500
   15   1HB   TYR   3          2HB       TYR   3   3.913  -4.633  -4.633
   16   2HB   TYR   3          1HB       TYR   3   5.656  -4.813  -4.813
   17    HD1  TYR   3           HD2      TYR   3   5.093  -7.533  -7.533
   18    HD2  TYR   3           HD1      TYR   3   4.040  -6.080  -6.080
   19    HE1  TYR   3           HE2      TYR   3   4.834  -9.922  -9.922
   20    HE2  TYR   3           HE1      TYR   3   3.785  -8.473  -8.473
   21    HH   TYR   3           HH       TYR   3   4.101 -11.188 -11.188
   22    H    ASN   4           H        ASN   4   6.132  -3.104  -3.104
   23    HA   ASN   4           HA       ASN   4   4.398  -1.133  -1.133
   24   1HB   ASN   4          2HB       ASN   4   7.150  -1.724  -1.724
   25   2HB   ASN   4          1HB       ASN   4   6.758  -0.030  -0.030
   26   1HD2  ASN   4          2HD2      ASN   4   4.753  -2.382  -2.382
   27   2HD2  ASN   4          1HD2      ASN   4   5.614  -3.063  -3.063
   28    H    GLY   5           H        GLY   5   4.731   0.959   0.959
   29   1HA   GLY   5          1HA       GLY   5   6.953   1.406   1.406
   30   2HA   GLY   5          2HA       GLY   5   5.528   0.911   0.911
   31    H    LYS   6           H        LYS   6   4.537   2.680   2.680
   32    HA   LYS   6           HA       LYS   6   3.746   4.790   4.790
   33   1HB   LYS   6          2HB       LYS   6   5.206   5.641   5.641
   34   2HB   LYS   6          1HB       LYS   6   4.818   6.574   6.574
   35   1HG   LYS   6          2HG       LYS   6   6.426   5.232   5.232
   36   2HG   LYS   6          1HG       LYS   6   6.781   4.232   4.232
   37   1HD   LYS   6          2HD       LYS   6   7.547   6.330   6.330
   38   2HD   LYS   6          1HD       LYS   6   7.331   7.225   7.225
   39   1HE   LYS   6          2HE       LYS   6   8.930   5.575   5.575
   40   2HE   LYS   6          1HE       LYS   6   9.240   4.885   4.885
   41   1HZ   LYS   6          1HZ       LYS   6   9.565   7.790   7.790
   42   2HZ   LYS   6          2HZ       LYS   6  10.764   6.776   6.776
   43    H    CYS   7           H        CYS   7   2.229   6.358   6.358
   44    HA   CYS   7           HA       CYS   7   1.008   5.081   5.081
   45   1HB   CYS   7          2HB       CYS   7  -1.265   5.579   5.579
   46   2HB   CYS   7          1HB       CYS   7  -0.400   4.119   4.119
   47    H    TYR   8           H        TYR   8  -0.267   6.638   6.638
   48    HA   TYR   8           HA       TYR   8   0.382   9.418   9.418
   49   1HB   TYR   8          2HB       TYR   8  -0.132   7.980   7.980
   50   2HB   TYR   8          1HB       TYR   8   0.256   9.684   9.684
   51    HD1  TYR   8           HD2      TYR   8   2.255   8.654   8.654
   52    HD2  TYR   8           HD1      TYR   8   1.865   8.031   8.031
   53    HE1  TYR   8           HE2      TYR   8   4.731   8.100   8.100
   54    HE2  TYR   8           HE1      TYR   8   4.343   7.480   7.480
   55    HH   TYR   8           HH       TYR   8   6.395   8.070   8.070
   56    H    LYS   9           H        LYS   9  -1.239  10.985  10.985
   57    HA   LYS   9           HA       LYS   9  -3.850  10.128  10.128
   58   1HB   LYS   9          2HB       LYS   9  -2.376  12.622  12.622
   59   2HB   LYS   9          1HB       LYS   9  -3.945  12.813  12.813
   60   1HG   LYS   9          2HG       LYS   9  -5.026  11.772  11.772
   61   2HG   LYS   9          1HG       LYS   9  -3.452  11.627  11.627
   62   1HD   LYS   9          2HD       LYS   9  -3.193  13.984  13.984
   63   2HD   LYS   9          1HD       LYS   9  -4.400  14.329  14.329
   64   1HE   LYS   9          2HE       LYS   9  -6.215  13.789  13.789
   65   2HE   LYS   9          1HE       LYS   9  -5.193  12.878  12.878
   66   1HZ   LYS   9          1HZ       LYS   9  -5.803  15.159  15.159
   67   2HZ   LYS   9          2HZ       LYS   9  -4.195  14.905  14.905
   68    H    LYS  10           H        LYS  10  -2.775  12.177  12.177
   69    HA   LYS  10           HA       LYS  10  -4.903  11.893  11.893
   70   1HB   LYS  10          2HB       LYS  10  -2.572  13.066  13.066
   71   2HB   LYS  10          1HB       LYS  10  -2.178  11.620  11.620
   72   1HG   LYS  10          2HG       LYS  10  -3.699  12.086  12.086
   73   2HG   LYS  10          1HG       LYS  10  -4.834  12.870  12.870
   74   1HD   LYS  10          2HD       LYS  10  -2.806  14.661  14.661
   75   2HD   LYS  10          1HD       LYS  10  -2.431  14.021  14.021
   76   1HE   LYS  10          2HE       LYS  10  -4.512  14.721  14.721
   77   2HE   LYS  10          1HE       LYS  10  -5.276  14.851  14.851
   78   1HZ   LYS  10          1HZ       LYS  10  -3.159  16.655  16.655
   79   2HZ   LYS  10          2HZ       LYS  10  -4.722  17.046  17.046
   80    H    ASP  11           H        ASP  11  -2.045   9.775   9.775
   81    HA   ASP  11           HA       ASP  11  -3.418   7.961   7.961
   82   1HB   ASP  11          2HB       ASP  11  -0.952   7.767   7.767
   83   2HB   ASP  11          1HB       ASP  11  -1.554   6.324   6.324
   84    HD1  ASP  11          2HD       ASP  11  -1.087   8.046   8.046
   85    H    ASN  12           H        ASN  12  -3.433   8.532   8.532
   86    HA   ASN  12           HA       ASN  12  -4.152   7.401   7.401
   87   1HB   ASN  12          2HB       ASN  12  -6.274   8.190   8.190
   88   2HB   ASN  12          1HB       ASN  12  -6.372   6.697   6.697
   89   1HD2  ASN  12          2HD2      ASN  12  -8.527   5.549   5.549
   90   2HD2  ASN  12          1HD2      ASN  12  -8.320   6.105   6.105
   91    H    ILE  13           H        ILE  13  -2.186   5.817   5.817
   92    HA   ILE  13           HA       ILE  13  -3.359   3.131   3.131
   93    HB   ILE  13           HB       ILE  13  -1.426   2.475   2.475
   94   1HG1  ILE  13          2HG1      ILE  13  -0.809   4.502   4.502
   95   2HG1  ILE  13          3HG1      ILE  13  -1.190   5.466   5.466
   96   1HG2  ILE  13          1HG2      ILE  13  -3.982   3.694   3.694
   97   2HG2  ILE  13          2HG2      ILE  13  -2.806   3.899   3.899
   98   3HG2  ILE  13          3HG2      ILE  13  -3.182   2.271   2.271
   99   1HD1  ILE  13          3HD1      ILE  13   0.405   3.261   3.261
  100   2HD1  ILE  13          1HD1      ILE  13   1.197   3.940   3.940
  101   3HD1  ILE  13          2HD1      ILE  13   0.843   4.985   4.985
  102    H    CYS  14           H        CYS  14  -1.466   1.478   1.478
  103    HA   CYS  14           HA       CYS  14   0.102   2.724   2.724
  104   1HB   CYS  14          2HB       CYS  14  -1.648   1.441   1.441
  105   2HB   CYS  14          1HB       CYS  14  -1.327   0.063   0.063
  106    H    LYS  15           H        LYS  15   2.136   2.861   2.861
  107    HA   LYS  15           HA       LYS  15   3.031   0.590   0.590
  108   1HB   LYS  15          2HB       LYS  15   4.738   2.063   2.063
  109   2HB   LYS  15          1HB       LYS  15   3.188   2.871   2.871
  110   1HG   LYS  15          2HG       LYS  15   3.682   4.060   4.060
  111   2HG   LYS  15          1HG       LYS  15   5.258   3.296   3.296
  112   1HD   LYS  15          2HD       LYS  15   4.262   5.103   5.103
  113   2HD   LYS  15          1HD       LYS  15   5.312   5.626   5.626
  114   1HE   LYS  15          2HE       LYS  15   6.379   3.203   3.203
  115   2HE   LYS  15          1HE       LYS  15   6.093   4.433   4.433
  116   1HZ   LYS  15          1HZ       LYS  15   8.317   4.483   4.483
  117   2HZ   LYS  15          2HZ       LYS  15   7.549   5.907   5.907
  118    H    TYR  16           H        TYR  16   4.504  -0.872  -0.872
  119    HA   TYR  16           HA       TYR  16   6.356  -0.182  -0.182
  120   1HB   TYR  16          2HB       TYR  16   5.373  -2.026  -2.026
  121   2HB   TYR  16          1HB       TYR  16   4.354  -0.607  -0.607
  122    HD1  TYR  16           HD1      TYR  16   2.582  -0.726  -0.726
  123    HD2  TYR  16           HD2      TYR  16   4.377  -4.109  -4.109
  124    HE1  TYR  16           HE1      TYR  16   0.652  -2.192  -2.192
  125    HE2  TYR  16           HE2      TYR  16   2.441  -5.564  -5.564
  126    HH   TYR  16           HH       TYR  16   0.699  -5.677  -5.677
  127    H    LYS  17           H        LYS  17   7.767  -2.109  -2.109
  128    HA   LYS  17           HA       LYS  17   8.056  -3.725  -3.725
  129   1HB   LYS  17          2HB       LYS  17   9.898  -2.248  -2.248
  130   2HB   LYS  17          1HB       LYS  17  10.080  -3.689  -3.689
  131   1HG   LYS  17          2HG       LYS  17   9.898  -4.285  -4.285
  132   2HG   LYS  17          1HG       LYS  17  11.258  -3.253  -3.253
  133   1HD   LYS  17          2HD       LYS  17  12.085  -4.869  -4.869
  134   2HD   LYS  17          1HD       LYS  17  10.646  -5.855  -5.855
  135   1HE   LYS  17          2HE       LYS  17  11.307  -6.713  -6.713
  136   2HE   LYS  17          1HE       LYS  17  12.212  -5.277  -5.277
  137   1HZ   LYS  17          1HZ       LYS  17  14.014  -5.952  -5.952
  138   2HZ   LYS  17          2HZ       LYS  17  13.141  -6.999  -6.999
  139    H    ALA  18           H        ALA  18   6.700  -5.474  -5.474
  140    HA   ALA  18           HA       ALA  18   5.752  -6.715  -6.715
  141   1HB   ALA  18          2HB       ALA  18   5.519  -7.066  -7.066
  142   2HB   ALA  18          3HB       ALA  18   6.543  -8.469  -8.469
  143   3HB   ALA  18          1HB       ALA  18   4.964  -8.272  -8.272
  144    H    GLN  19           H        GLN  19   6.336  -9.076  -9.076
  145    HA   GLN  19           HA       GLN  19   8.869  -8.908  -8.908
  146   1HB   GLN  19          2HB       GLN  19   6.540 -10.349 -10.349
  147   2HB   GLN  19          1HB       GLN  19   7.636 -11.601 -11.601
  148   1HG   GLN  19          2HG       GLN  19   9.354 -10.579 -10.579
  149   2HG   GLN  19          1HG       GLN  19   7.986  -9.722  -9.722
  150   1HE2  GLN  19          2HE2      GLN  19   7.300 -12.376 -12.376
  151   2HE2  GLN  19          1HE2      GLN  19   7.595 -10.687 -10.687
  152    H    SER  20           H        SER  20   7.639 -10.313 -10.313
  153    HA   SER  20           HA       SER  20  10.281 -11.477 -11.477
  154   1HB   SER  20          2HB       SER  20   8.845 -12.761 -12.761
  155   2HB   SER  20          1HB       SER  20   8.969 -13.356 -13.356
  156    HG   SER  20           HG       SER  20   6.925 -12.590 -12.590
  157    H    GLY  21           H        GLY  21   8.456  -8.799  -8.799
  158   1HA   GLY  21          1HA       GLY  21   8.780  -7.122  -7.122
  159   2HA   GLY  21          2HA       GLY  21  10.001  -8.078  -8.078
  160    H    LYS  22           H        LYS  22   7.258 -10.037 -10.037
  161    HA   LYS  22           HA       LYS  22   6.725  -9.987  -9.987
  162   1HB   LYS  22          2HB       LYS  22   6.425 -11.833 -11.833
  163   2HB   LYS  22          1HB       LYS  22   4.792 -11.199 -11.199
  164   1HG   LYS  22          2HG       LYS  22   5.714 -11.548 -11.548
  165   2HG   LYS  22          1HG       LYS  22   5.898 -13.043 -13.043
  166   1HD   LYS  22          2HD       LYS  22   3.604 -13.274 -13.274
  167   2HD   LYS  22          1HD       LYS  22   3.312 -11.546 -11.546
  168   1HE   LYS  22          2HE       LYS  22   2.390 -12.139 -12.139
  169   2HE   LYS  22          1HE       LYS  22   4.022 -11.746 -11.746
  170   1HZ   LYS  22          1HZ       LYS  22   3.803 -14.476 -14.476
  171   2HZ   LYS  22          2HZ       LYS  22   2.782 -14.155 -14.155
  172    H    THR  23           H        THR  23   5.266  -8.433  -8.433
  173    HA   THR  23           HA       THR  23   3.041  -7.435  -7.435
  174    HB   THR  23           HB       THR  23   3.580  -8.024  -8.024
  175    HG1  THR  23          1HG       THR  23   1.412  -8.041  -8.041
  176   1HG2  THR  23          1HG2      THR  23   4.424  -5.455  -5.455
  177   2HG2  THR  23          2HG2      THR  23   2.671  -5.150  -5.150
  178   3HG2  THR  23          3HG2      THR  23   3.442  -6.034  -6.034
  179    H    ALA  24           H        ALA  24   2.626  -4.888  -4.888
  180    HA   ALA  24           HA       ALA  24   4.558  -3.064  -3.064
  181   1HB   ALA  24          2HB       ALA  24   4.613  -4.354  -4.354
  182   2HB   ALA  24          3HB       ALA  24   4.901  -2.602  -2.602
  183   3HB   ALA  24          1HB       ALA  24   5.955  -3.738  -3.738
  184    H    ILE  25           H        ILE  25   3.263  -1.365  -1.365
  185    HA   ILE  25           HA       ILE  25   1.587   0.069   0.069
  186    HB   ILE  25           HB       ILE  25   1.287  -0.576  -0.576
  187   1HG1  ILE  25          2HG1      ILE  25   3.503   0.862   0.862
  188   2HG1  ILE  25          3HG1      ILE  25   3.596  -0.307  -0.307
  189   1HG2  ILE  25          3HG2      ILE  25  -0.405   0.910   0.910
  190   2HG2  ILE  25          1HG2      ILE  25   0.865   1.967   1.967
  191   3HG2  ILE  25          2HG2      ILE  25   0.680   1.795   1.795
  192   1HD1  ILE  25          2HD1      ILE  25   2.322   1.477   1.477
  193   2HD1  ILE  25          3HD1      ILE  25   2.799   2.616   2.616
  194   3HD1  ILE  25          1HD1      ILE  25   4.046   1.751   1.751
  195    H    CYS  26           H        CYS  26  -0.646   0.134   0.134
  196    HA   CYS  26           HA       CYS  26  -2.318  -1.935  -1.935
  197   1HB   CYS  26          2HB       CYS  26  -1.276  -3.235  -3.235
  198   2HB   CYS  26          1HB       CYS  26  -1.547  -1.975  -1.975
  199    H    LYS  27           H        LYS  27  -3.979  -0.569  -0.569
  200    HA   LYS  27           HA       LYS  27  -4.496   1.914   1.914
  201   1HB   LYS  27          2HB       LYS  27  -7.018   1.163   1.163
  202   2HB   LYS  27          1HB       LYS  27  -5.867   1.298   1.298
  203   1HG   LYS  27          2HG       LYS  27  -5.808  -1.339  -1.339
  204   2HG   LYS  27          1HG       LYS  27  -7.343  -0.977  -0.977
  205   1HD   LYS  27          2HD       LYS  27  -4.849  -0.413  -0.413
  206   2HD   LYS  27          1HD       LYS  27  -5.281  -2.094  -2.094
  207   1HE   LYS  27          2HE       LYS  27  -7.722  -1.190  -1.190
  208   2HE   LYS  27          1HE       LYS  27  -6.767   0.055   0.055
  209   1HZ   LYS  27          1HZ       LYS  27  -5.904  -1.447  -1.447
  210   2HZ   LYS  27          2HZ       LYS  27  -5.870  -2.688  -2.688
  211    H    CYS  28           H        CYS  28  -5.483   3.029   3.029
  212    HA   CYS  28           HA       CYS  28  -5.458   1.691   1.691
  213   1HB   CYS  28          2HB       CYS  28  -5.424   4.364   4.364
  214   2HB   CYS  28          1HB       CYS  28  -6.826   4.219   4.219
  215    H    TYR  29           H        TYR  29  -7.041  -0.059  -0.059
  216    HA   TYR  29           HA       TYR  29  -9.773   0.773   0.773
  217   1HB   TYR  29          2HB       TYR  29  -9.243  -1.240  -1.240
  218   2HB   TYR  29          1HB       TYR  29  -8.027  -1.691  -1.691
  219    HD1  TYR  29           HD2      TYR  29 -11.746  -1.396  -1.396
  220    HD2  TYR  29           HD1      TYR  29  -8.475  -3.413  -3.413
  221    HE1  TYR  29           HE2      TYR  29 -13.361  -3.062  -3.062
  222    HE2  TYR  29           HE1      TYR  29 -10.101  -5.073  -5.073
  223    HH   TYR  29           HH       TYR  29 -12.380  -5.226  -5.226
  224    H    VAL  30           H        VAL  30  -7.867   0.878   0.878
  225    HA   VAL  30           HA       VAL  30  -9.914  -0.253  -0.253
  226    HB   VAL  30           HB       VAL  30  -7.150   0.662   0.662
  227   1HG1  VAL  30          2HG1      VAL  30  -9.353  -0.270  -0.270
  228   2HG1  VAL  30          3HG1      VAL  30  -8.236  -1.653  -1.653
  229   3HG1  VAL  30          1HG1      VAL  30  -7.676  -0.096  -0.096
  230   1HG2  VAL  30          3HG2      VAL  30  -6.982  -0.971  -0.971
  231   2HG2  VAL  30          1HG2      VAL  30  -6.308  -1.581  -1.581
  232   3HG2  VAL  30          2HG2      VAL  30  -7.906  -2.138  -2.138
  233    H    LYS  31           H        LYS  31  -7.612   2.567   2.567
  234    HA   LYS  31           HA       LYS  31  -9.842   4.333   4.333
  235   1HB   LYS  31          2HB       LYS  31  -7.849   3.579   3.579
  236   2HB   LYS  31          1HB       LYS  31  -8.265   5.277   5.277
  237   1HG   LYS  31          2HG       LYS  31 -10.767   4.339   4.339
  238   2HG   LYS  31          1HG       LYS  31 -10.052   2.930   2.930
  239   1HD   LYS  31          2HD       LYS  31  -9.454   4.103   4.103
  240   2HD   LYS  31          1HD       LYS  31  -9.391   5.651   5.651
  241   1HE   LYS  31          2HE       LYS  31 -12.071   4.316   4.316
  242   2HE   LYS  31          1HE       LYS  31 -11.482   4.855   4.855
  243   1HZ   LYS  31          1HZ       LYS  31 -11.952   6.957   6.957
  244   2HZ   LYS  31          2HZ       LYS  31 -11.024   6.880   6.880
  245    H    LYS  32           H        LYS  32  -9.547   6.224   6.224
  246    HA   LYS  32           HA       LYS  32  -7.670   6.586   6.586
  247   1HB   LYS  32          2HB       LYS  32  -9.764   7.967   7.967
  248   2HB   LYS  32          1HB       LYS  32  -8.724   8.910   8.910
  249   1HG   LYS  32          2HG       LYS  32  -7.324   9.608   9.608
  250   2HG   LYS  32          1HG       LYS  32  -7.983   8.390   8.390
  251   1HD   LYS  32          2HD       LYS  32  -9.679  10.631  10.631
  252   2HD   LYS  32          1HD       LYS  32  -8.850  10.784  10.784
  253   1HE   LYS  32          2HE       LYS  32 -10.084   8.820   8.820
  254   2HE   LYS  32          1HE       LYS  32 -10.871   8.587   8.587
  255   1HZ   LYS  32          1HZ       LYS  32 -12.004  10.007  10.007
  256   2HZ   LYS  32          2HZ       LYS  32 -12.202  10.425  10.425
  257    H    CYS  33           H        CYS  33  -5.736   7.993   7.993
  258    HA   CYS  33           HA       CYS  33  -4.008   7.463   7.463
  259   1HB   CYS  33          2HB       CYS  33  -2.897   7.030   7.030
  260   2HB   CYS  33          1HB       CYS  33  -3.672   8.333   8.333
  261    HA   PRO  34           HA       PRO  34  -4.413  11.488  11.488
  262   1HB   PRO  34          2HB       PRO  34  -2.198  11.597  11.597
  263   2HB   PRO  34          1HB       PRO  34  -3.684  10.798  10.798
  264   1HG   PRO  34          2HG       PRO  34  -1.132   9.594   9.594
  265   2HG   PRO  34          1HG       PRO  34  -2.457   8.845   8.845
  266   1HD   PRO  34          2HD       PRO  34  -1.842   8.542   8.542
  267   2HD   PRO  34          1HD       PRO  34  -3.232   7.888   7.888
  268    H    ARG  35           H        ARG  35  -1.239  10.671  10.671
  269    HA   ARG  35           HA       ARG  35  -1.280  12.797  12.797
  270   1HB   ARG  35          2HB       ARG  35   0.391  14.327  14.327
  271   2HB   ARG  35          1HB       ARG  35  -1.004  14.202  14.202
  272   1HG   ARG  35          2HG       ARG  35   0.530  12.143  12.143
  273   2HG   ARG  35          1HG       ARG  35   1.789  13.228  13.228
  274   1HD   ARG  35          2HD       ARG  35   0.135  15.022  15.022
  275   2HD   ARG  35          1HD       ARG  35  -0.176  13.586  13.586
  276    HE   ARG  35           HE       ARG  35   2.677  14.067  14.067
  277   1HH1  ARG  35          2HH2      ARG  35  -0.062  14.775  14.775
  278   2HH1  ARG  35          1HH2      ARG  35   0.939  15.169  15.169
  279    HH2  ARG  35          1HH       ARG  35   3.322  15.050  15.050
  280    H    ASP  36           H        ASP  36   0.636  12.766  12.766
  281    HA   ASP  36           HA       ASP  36   1.734  10.419  10.419
  282   1HB   ASP  36          2HB       ASP  36   2.276  12.037  12.037
  283   2HB   ASP  36          1HB       ASP  36   2.671  13.244  13.244
  284    HD1  ASP  36          2HD       ASP  36   4.866  13.173  13.173
  285    H    GLY  37           H        GLY  37   3.402   9.105   9.105
  286   1HA   GLY  37          1HA       GLY  37   5.425   8.774   8.774
  287   2HA   GLY  37          2HA       GLY  37   5.201  10.279  10.279
  288    H    ALA  38           H        ALA  38   2.261   9.645   9.645
  289    HA   ALA  38           HA       ALA  38   2.341   8.778   8.778
  290   1HB   ALA  38          1HB       ALA  38   0.236   8.111   8.111
  291   2HB   ALA  38          2HB       ALA  38  -0.011   8.048   8.048
  292   3HB   ALA  38          3HB       ALA  38   0.328   9.603   9.603
  293    H    LYS  39           H        LYS  39   3.202   7.030   7.030
  294    HA   LYS  39           HA       LYS  39   3.958   4.747   4.747
  295   1HB   LYS  39          2HB       LYS  39   5.189   5.610   5.610
  296   2HB   LYS  39          1HB       LYS  39   3.840   5.188   5.188
  297   1HG   LYS  39          2HG       LYS  39   4.577   2.901   2.901
  298   2HG   LYS  39          1HG       LYS  39   5.986   3.502   3.502
  299   1HD   LYS  39          2HD       LYS  39   5.208   2.226   2.226
  300   2HD   LYS  39          1HD       LYS  39   4.139   3.583   3.583
  301   1HE   LYS  39          2HE       LYS  39   3.266   1.503   1.503
  302   2HE   LYS  39          1HE       LYS  39   3.187   1.089   1.089
  303   1HZ   LYS  39          1HZ       LYS  39   1.150   2.105   2.105
  304   2HZ   LYS  39          2HZ       LYS  39   2.000   3.404   3.404
  305    H    CYS  40           H        CYS  40   3.121   2.605   2.605
  306    HA   CYS  40           HA       CYS  40   0.632   2.197   2.197
  307   1HB   CYS  40          2HB       CYS  40  -0.227   3.208   3.208
  308   2HB   CYS  40          1HB       CYS  40   0.782   2.204   2.204
  309    H    GLU  41           H        GLU  41  -0.011  -0.188  -0.188
  310    HA   GLU  41           HA       GLU  41   2.336  -1.776  -1.776
  311   1HB   GLU  41          2HB       GLU  41   1.489  -3.322  -3.322
  312   2HB   GLU  41          1HB       GLU  41   2.377  -1.871  -1.871
  313   1HG   GLU  41          2HG       GLU  41   0.136  -0.668  -0.668
  314   2HG   GLU  41          1HG       GLU  41  -0.657  -2.215  -2.215
  315    HE2  GLU  41          2HE       GLU  41   0.928  -1.255  -1.255
  316    H    PHE  42           H        PHE  42   1.892  -3.950  -3.950
  317    HA   PHE  42           HA       PHE  42  -0.823  -4.140  -4.140
  318   1HB   PHE  42          2HB       PHE  42   0.994  -4.038  -4.038
  319   2HB   PHE  42          1HB       PHE  42   1.949  -5.206  -5.206
  320    HD1  PHE  42          2HD       PHE  42  -1.256  -4.871  -4.871
  321    HD2  PHE  42          1HD       PHE  42   1.834  -7.467  -7.467
  322    HE1  PHE  42          2HE       PHE  42  -2.224  -6.725  -6.725
  323    HE2  PHE  42          1HE       PHE  42   0.866  -9.321  -9.321
  324    HZ   PHE  42           HZ       PHE  42  -1.151  -8.927  -8.927
  325    H    ASP  43           H        ASP  43  -2.066  -5.382  -5.382
  326    HA   ASP  43           HA       ASP  43  -0.972  -7.345  -7.345
  327   1HB   ASP  43          2HB       ASP  43  -3.399  -6.044  -6.044
  328   2HB   ASP  43          1HB       ASP  43  -3.831  -7.633  -7.633
  329    HD2  ASP  43          2HD       ASP  43  -3.048  -6.059  -6.059
  330    H    SER  44           H        SER  44  -0.754  -9.612  -9.612
  331    HA   SER  44           HA       SER  44  -1.200 -10.455 -10.455
  332   1HB   SER  44          2HB       SER  44   0.408 -12.148 -12.148
  333   2HB   SER  44          1HB       SER  44   1.021 -10.773 -10.773
  334    HG   SER  44           HG       SER  44   0.550 -13.203 -13.203
  335    H    TYR  45           H        TYR  45  -2.611 -10.636 -10.636
  336    HA   TYR  45           HA       TYR  45  -3.723 -13.228 -13.228
  337   1HB   TYR  45          2HB       TYR  45  -4.725 -12.471 -12.471
  338   2HB   TYR  45          1HB       TYR  45  -3.380 -11.355 -11.355
  339    HD1  TYR  45           HD1      TYR  45  -4.348  -9.470  -9.470
  340    HD2  TYR  45           HD2      TYR  45  -6.414 -11.264 -11.264
  341    HE1  TYR  45           HE1      TYR  45  -5.972  -7.515  -7.515
  342    HE2  TYR  45           HE2      TYR  45  -8.031  -9.302  -9.302
  343    HH   TYR  45           HH       TYR  45  -8.640  -7.419  -7.419
  344    H    LYS  46           H        LYS  46  -4.312 -10.433 -10.433
  345    HA   LYS  46           HA       LYS  46  -6.755 -11.621 -11.621
  346   1HB   LYS  46          2HB       LYS  46  -6.675  -8.856  -8.856
  347   2HB   LYS  46          1HB       LYS  46  -7.920  -9.369  -9.369
  348   1HG   LYS  46          2HG       LYS  46  -8.051 -11.477 -11.477
  349   2HG   LYS  46          1HG       LYS  46  -7.386 -10.312 -10.312
  350   1HD   LYS  46          2HD       LYS  46  -9.759 -10.107 -10.107
  351   2HD   LYS  46          1HD       LYS  46  -9.270  -8.711  -8.711
  352   1HE   LYS  46          2HE       LYS  46 -10.103  -9.622  -9.622
  353   2HE   LYS  46          1HE       LYS  46 -10.096 -11.263 -11.263
  354   1HZ   LYS  46          1HZ       LYS  46 -12.228 -10.931 -10.931
  355   2HZ   LYS  46          2HZ       LYS  46 -11.781  -9.811  -9.811
  356    H    GLY  47           H        GLY  47  -4.678  -8.639  -8.639
  357   1HA   GLY  47          1HA       GLY  47  -3.187  -8.485  -8.485
  358   2HA   GLY  47          2HA       GLY  47  -4.486  -9.112  -9.112
  359    H    LYS  48           H        LYS  48  -4.429  -6.594  -6.594
  360    HA   LYS  48           HA       LYS  48  -5.528  -4.729  -4.729
  361   1HB   LYS  48          2HB       LYS  48  -6.274  -5.178  -5.178
  362   2HB   LYS  48          1HB       LYS  48  -6.618  -3.664  -3.664
  363   1HG   LYS  48          2HG       LYS  48  -8.588  -4.879  -4.879
  364   2HG   LYS  48          1HG       LYS  48  -7.685  -5.165  -5.165
  365   1HD   LYS  48          2HD       LYS  48  -7.044  -7.370  -7.370
  366   2HD   LYS  48          1HD       LYS  48  -7.426  -7.067  -7.067
  367   1HE   LYS  48          2HE       LYS  48  -9.563  -7.008  -7.008
  368   2HE   LYS  48          1HE       LYS  48  -9.120  -8.490  -8.490
  369   1HZ   LYS  48          1HZ       LYS  48 -10.724  -7.759  -7.759
  370   2HZ   LYS  48          2HZ       LYS  48  -9.514  -6.894  -6.894
  371    H    CYS  49           H        CYS  49  -5.215  -2.332  -2.332
  372    HA   CYS  49           HA       CYS  49  -2.448  -2.221  -2.221
  373   1HB   CYS  49          2HB       CYS  49  -2.406  -0.006  -0.006
  374   2HB   CYS  49          1HB       CYS  49  -2.140  -1.533  -1.533
  375    H    TYR  50           H        TYR  50  -2.943  -1.799  -1.799
  376    HA   TYR  50           HA       TYR  50  -5.073  -0.138  -0.138
  377   1HB   TYR  50          2HB       TYR  50  -2.518  -1.361  -1.361
  378   2HB   TYR  50          1HB       TYR  50  -3.349  -0.172  -0.172
  379    HD1  TYR  50           HD2      TYR  50  -3.562  -3.543  -3.543
  380    HD2  TYR  50           HD1      TYR  50  -5.490  -0.671  -0.671
  381    HE1  TYR  50           HE2      TYR  50  -5.132  -5.345  -5.345
  382    HE2  TYR  50           HE1      TYR  50  -7.054  -2.482  -2.482
  383    HH   TYR  50           HH       TYR  50  -6.759  -5.825  -5.825
  384    H    CYS  51           H        CYS  51  -4.468   1.632   1.632
  385    HA   CYS  51           HA       CYS  51  -2.229   3.225   3.225
  386   1HB   CYS  51          2HB       CYS  51  -4.827   4.317   4.317
  387   2HB   CYS  51          1HB       CYS  51  -3.189   4.749   4.749

  Start of MODEL    4
    1    H    ALA   1           H        ALA   1   2.423 -10.688 -10.688
    2    HA   ALA   1           HA       ALA   1   4.999 -11.166 -11.166
    3   1HB   ALA   1          2HB       ALA   1   2.753 -12.853 -12.853
    4   2HB   ALA   1          3HB       ALA   1   3.607 -12.013 -12.013
    5   3HB   ALA   1          1HB       ALA   1   4.507 -13.075 -13.075
    6    H    THR   2           H        THR   2   3.267  -8.975  -8.975
    7    HA   THR   2           HA       THR   2   2.302  -7.659  -7.659
    8    HB   THR   2           HB       THR   2   2.725  -6.248  -6.248
    9    HG1  THR   2          1HG       THR   2   1.849  -8.059  -8.059
   10   1HG2  THR   2          2HG2      THR   2   1.082  -5.890  -5.890
   11   2HG2  THR   2          3HG2      THR   2  -0.007  -6.551  -6.551
   12   3HG2  THR   2          1HG2      THR   2   0.907  -5.057  -5.057
   13    H    TYR   3           H        TYR   3   3.168  -5.900  -5.900
   14    HA   TYR   3           HA       TYR   3   6.043  -5.568  -5.568
   15   1HB   TYR   3          2HB       TYR   3   4.256  -4.695  -4.695
   16   2HB   TYR   3          1HB       TYR   3   5.997  -4.887  -4.887
   17    HD1  TYR   3           HD1      TYR   3   5.542  -7.621  -7.621
   18    HD2  TYR   3           HD2      TYR   3   4.245  -6.121  -6.121
   19    HE1  TYR   3           HE1      TYR   3   5.259 -10.000 -10.000
   20    HE2  TYR   3           HE2      TYR   3   3.966  -8.505  -8.505
   21    HH   TYR   3           HH       TYR   3   3.488 -10.875 -10.875
   22    H    ASN   4           H        ASN   4   6.496  -3.160  -3.160
   23    HA   ASN   4           HA       ASN   4   4.709  -1.241  -1.241
   24   1HB   ASN   4          2HB       ASN   4   7.702  -1.098  -1.098
   25   2HB   ASN   4          1HB       ASN   4   6.441  -0.079  -0.079
   26   1HD2  ASN   4          2HD2      ASN   4   5.055  -2.636  -2.636
   27   2HD2  ASN   4          1HD2      ASN   4   4.582  -1.396  -1.396
   28    H    GLY   5           H        GLY   5   4.951   0.872   0.872
   29   1HA   GLY   5          1HA       GLY   5   7.103   1.425   1.425
   30   2HA   GLY   5          2HA       GLY   5   5.690   0.863   0.863
   31    H    LYS   6           H        LYS   6   4.841   2.702   2.702
   32    HA   LYS   6           HA       LYS   6   3.817   4.693   4.693
   33   1HB   LYS   6          2HB       LYS   6   5.546   5.550   5.550
   34   2HB   LYS   6          1HB       LYS   6   4.806   6.574   6.574
   35   1HG   LYS   6          2HG       LYS   6   6.192   5.498   5.498
   36   2HG   LYS   6          1HG       LYS   6   6.914   4.438   4.438
   37   1HD   LYS   6          2HD       LYS   6   7.727   6.517   6.517
   38   2HD   LYS   6          1HD       LYS   6   7.149   7.480   7.480
   39   1HE   LYS   6          2HE       LYS   6   8.819   6.737   6.737
   40   2HE   LYS   6          1HE       LYS   6   8.927   5.159   5.159
   41   1HZ   LYS   6          1HZ       LYS   6   9.911   7.657   7.657
   42   2HZ   LYS   6          2HZ       LYS   6  10.867   6.603   6.603
   43    H    CYS   7           H        CYS   7   2.146   6.060   6.060
   44    HA   CYS   7           HA       CYS   7   1.120   4.795   4.795
   45   1HB   CYS   7          2HB       CYS   7  -1.176   5.531   5.531
   46   2HB   CYS   7          1HB       CYS   7  -0.448   3.973   3.973
   47    H    TYR   8           H        TYR   8  -0.318   6.328   6.328
   48    HA   TYR   8           HA       TYR   8   0.565   9.101   9.101
   49   1HB   TYR   8          2HB       TYR   8  -0.210   7.416   7.416
   50   2HB   TYR   8          1HB       TYR   8   0.062   9.144   9.144
   51    HD1  TYR   8           HD2      TYR   8   2.342   8.290   8.290
   52    HD2  TYR   8           HD1      TYR   8   1.633   7.651   7.651
   53    HE1  TYR   8           HE2      TYR   8   4.824   7.878   7.878
   54    HE2  TYR   8           HE1      TYR   8   4.117   7.240   7.240
   55    HH   TYR   8           HH       TYR   8   6.359   7.284   7.284
   56    H    LYS   9           H        LYS   9  -0.962  10.811  10.811
   57    HA   LYS   9           HA       LYS   9  -3.643  10.023  10.023
   58   1HB   LYS   9          2HB       LYS   9  -1.986  12.335  12.335
   59   2HB   LYS   9          1HB       LYS   9  -3.431  12.818  12.818
   60   1HG   LYS   9          2HG       LYS   9  -4.742  11.443  11.443
   61   2HG   LYS   9          1HG       LYS   9  -3.248  11.455  11.455
   62   1HD   LYS   9          2HD       LYS   9  -3.259  13.831  13.831
   63   2HD   LYS   9          1HD       LYS   9  -4.383  14.049  14.049
   64   1HE   LYS   9          2HE       LYS   9  -6.249  13.479  13.479
   65   2HE   LYS   9          1HE       LYS   9  -5.335  12.418  12.418
   66   1HZ   LYS   9          1HZ       LYS   9  -4.367  15.057  15.057
   67   2HZ   LYS   9          2HZ       LYS   9  -5.985  15.084  15.084
   68    H    LYS  10           H        LYS  10  -2.175  12.052  12.052
   69    HA   LYS  10           HA       LYS  10  -4.383  12.261  12.261
   70   1HB   LYS  10          2HB       LYS  10  -1.889  13.151  13.151
   71   2HB   LYS  10          1HB       LYS  10  -1.725  11.805  11.805
   72   1HG   LYS  10          2HG       LYS  10  -4.147  12.896  12.896
   73   2HG   LYS  10          1HG       LYS  10  -3.270  14.327  14.327
   74   1HD   LYS  10          2HD       LYS  10  -1.656  14.109  14.109
   75   2HD   LYS  10          1HD       LYS  10  -1.747  12.359  12.359
   76   1HE   LYS  10          2HE       LYS  10  -3.534  12.317  12.317
   77   2HE   LYS  10          1HE       LYS  10  -4.211  13.821  13.821
   78   1HZ   LYS  10          1HZ       LYS  10  -3.308  14.533  14.533
   79   2HZ   LYS  10          2HZ       LYS  10  -1.984  14.763  14.763
   80    H    ASP  11           H        ASP  11  -1.858   9.653   9.653
   81    HA   ASP  11           HA       ASP  11  -3.424   8.211   8.211
   82   1HB   ASP  11          2HB       ASP  11  -0.999   7.485   7.485
   83   2HB   ASP  11          1HB       ASP  11  -1.714   6.361   6.361
   84    HD1  ASP  11          2HD       ASP  11  -1.213   9.018   9.018
   85    H    ASN  12           H        ASN  12  -3.496   8.689   8.689
   86    HA   ASN  12           HA       ASN  12  -4.280   7.568   7.568
   87   1HB   ASN  12          2HB       ASN  12  -6.359   8.371   8.371
   88   2HB   ASN  12          1HB       ASN  12  -6.430   6.902   6.902
   89   1HD2  ASN  12          2HD2      ASN  12  -8.714   5.770   5.770
   90   2HD2  ASN  12          1HD2      ASN  12  -8.457   6.401   6.401
   91    H    ILE  13           H        ILE  13  -2.292   5.969   5.969
   92    HA   ILE  13           HA       ILE  13  -3.471   3.292   3.292
   93    HB   ILE  13           HB       ILE  13  -1.687   2.556   2.556
   94   1HG1  ILE  13          2HG1      ILE  13  -0.852   4.358   4.358
   95   2HG1  ILE  13          3HG1      ILE  13  -1.384   5.543   5.543
   96   1HG2  ILE  13          3HG2      ILE  13  -4.223   3.778   3.778
   97   2HG2  ILE  13          1HG2      ILE  13  -3.130   4.175   4.175
   98   3HG2  ILE  13          2HG2      ILE  13  -3.411   2.475   2.475
   99   1HD1  ILE  13          1HD1      ILE  13   0.188   3.392   3.392
  100   2HD1  ILE  13          2HD1      ILE  13   1.095   4.249   4.249
  101   3HD1  ILE  13          3HD1      ILE  13   0.403   5.156   5.156
  102    H    CYS  14           H        CYS  14  -1.428   1.676   1.676
  103    HA   CYS  14           HA       CYS  14   0.257   2.969   2.969
  104   1HB   CYS  14          2HB       CYS  14  -1.200   1.870   1.870
  105   2HB   CYS  14          1HB       CYS  14  -1.486   0.561   0.561
  106    H    LYS  15           H        LYS  15   2.383   2.737   2.737
  107    HA   LYS  15           HA       LYS  15   3.027   0.435   0.435
  108   1HB   LYS  15          2HB       LYS  15   4.283   3.193   3.193
  109   2HB   LYS  15          1HB       LYS  15   4.917   1.855   1.855
  110   1HG   LYS  15          2HG       LYS  15   2.988   1.782   1.782
  111   2HG   LYS  15          1HG       LYS  15   2.028   2.748   2.748
  112   1HD   LYS  15          2HD       LYS  15   2.792   4.075   4.075
  113   2HD   LYS  15          1HD       LYS  15   3.393   4.740   4.740
  114   1HE   LYS  15          2HE       LYS  15   5.591   4.218   4.218
  115   2HE   LYS  15          1HE       LYS  15   5.176   2.704   2.704
  116   1HZ   LYS  15          1HZ       LYS  15   5.805   4.013   4.013
  117   2HZ   LYS  15          2HZ       LYS  15   4.200   4.289   4.289
  118    H    TYR  16           H        TYR  16   4.592  -0.993  -0.993
  119    HA   TYR  16           HA       TYR  16   6.485  -0.266  -0.266
  120   1HB   TYR  16          2HB       TYR  16   5.549  -2.086  -2.086
  121   2HB   TYR  16          1HB       TYR  16   4.513  -0.679  -0.679
  122    HD1  TYR  16           HD1      TYR  16   2.714  -0.859  -0.859
  123    HD2  TYR  16           HD2      TYR  16   4.553  -4.175  -4.175
  124    HE1  TYR  16           HE1      TYR  16   0.782  -2.358  -2.358
  125    HE2  TYR  16           HE2      TYR  16   2.616  -5.663  -5.663
  126    HH   TYR  16           HH       TYR  16   0.863  -5.823  -5.823
  127    H    LYS  17           H        LYS  17   8.044  -2.021  -2.021
  128    HA   LYS  17           HA       LYS  17   8.274  -3.690  -3.690
  129   1HB   LYS  17          2HB       LYS  17  10.120  -2.240  -2.240
  130   2HB   LYS  17          1HB       LYS  17  10.259  -3.599  -3.599
  131   1HG   LYS  17          2HG       LYS  17  10.225  -4.162  -4.162
  132   2HG   LYS  17          1HG       LYS  17  11.684  -3.487  -3.487
  133   1HD   LYS  17          2HD       LYS  17  11.437  -5.388  -5.388
  134   2HD   LYS  17          1HD       LYS  17  10.335  -6.127  -6.127
  135   1HE   LYS  17          2HE       LYS  17  12.200  -5.882  -5.882
  136   2HE   LYS  17          1HE       LYS  17  13.273  -5.443  -5.443
  137   1HZ   LYS  17          1HZ       LYS  17  13.079  -7.920  -7.920
  138   2HZ   LYS  17          2HZ       LYS  17  13.105  -7.568  -7.568
  139    H    ALA  18           H        ALA  18   7.114  -5.548  -5.548
  140    HA   ALA  18           HA       ALA  18   6.046  -6.802  -6.802
  141   1HB   ALA  18          2HB       ALA  18   5.682  -7.158  -7.158
  142   2HB   ALA  18          3HB       ALA  18   7.055  -8.287  -8.287
  143   3HB   ALA  18          1HB       ALA  18   5.588  -8.592  -8.592
  144    H    GLN  19           H        GLN  19   6.633  -8.939  -8.939
  145    HA   GLN  19           HA       GLN  19   9.138  -8.760  -8.760
  146   1HB   GLN  19          2HB       GLN  19   6.790 -10.288 -10.288
  147   2HB   GLN  19          1HB       GLN  19   8.043 -11.478 -11.478
  148   1HG   GLN  19          2HG       GLN  19   8.753  -9.246  -9.246
  149   2HG   GLN  19          1HG       GLN  19   7.557 -10.389 -10.389
  150   1HE2  GLN  19          2HE2      GLN  19  10.847 -11.638 -11.638
  151   2HE2  GLN  19          1HE2      GLN  19   9.825 -10.267 -10.267
  152    H    SER  20           H        SER  20   8.172  -9.939  -9.939
  153    HA   SER  20           HA       SER  20  10.811 -11.124 -11.124
  154   1HB   SER  20          2HB       SER  20   9.404 -12.644 -12.644
  155   2HB   SER  20          1HB       SER  20   9.740 -13.142 -13.142
  156    HG   SER  20           HG       SER  20   7.399 -13.156 -13.156
  157    H    GLY  21           H        GLY  21   9.053  -8.550  -8.550
  158   1HA   GLY  21          1HA       GLY  21   9.270  -6.993  -6.993
  159   2HA   GLY  21          2HA       GLY  21  10.343  -8.062  -8.062
  160    H    LYS  22           H        LYS  22   7.650  -9.925  -9.925
  161    HA   LYS  22           HA       LYS  22   6.767  -9.971  -9.971
  162   1HB   LYS  22          2HB       LYS  22   6.708 -11.859 -11.859
  163   2HB   LYS  22          1HB       LYS  22   5.352 -11.064 -11.064
  164   1HG   LYS  22          2HG       LYS  22   5.148 -11.414 -11.414
  165   2HG   LYS  22          1HG       LYS  22   5.074 -12.883 -12.883
  166   1HD   LYS  22          2HD       LYS  22   3.152 -12.123 -12.123
  167   2HD   LYS  22          1HD       LYS  22   3.366 -10.466 -10.466
  168   1HE   LYS  22          2HE       LYS  22   2.236 -10.821 -10.821
  169   2HE   LYS  22          1HE       LYS  22   3.089 -12.316 -12.316
  170   1HZ   LYS  22          1HZ       LYS  22   1.550 -13.140 -13.140
  171   2HZ   LYS  22          2HZ       LYS  22   0.586 -11.934 -11.934
  172    H    THR  23           H        THR  23   4.957  -8.977  -8.977
  173    HA   THR  23           HA       THR  23   2.841  -7.796  -7.796
  174    HB   THR  23           HB       THR  23   3.755  -8.193  -8.193
  175    HG1  THR  23          1HG       THR  23   1.530  -6.577  -6.577
  176   1HG2  THR  23          3HG2      THR  23   4.502  -5.595  -5.595
  177   2HG2  THR  23          1HG2      THR  23   2.788  -5.357  -5.357
  178   3HG2  THR  23          2HG2      THR  23   3.886  -6.148  -6.148
  179    H    ALA  24           H        ALA  24   2.501  -5.187  -5.187
  180    HA   ALA  24           HA       ALA  24   4.633  -3.492  -3.492
  181   1HB   ALA  24          1HB       ALA  24   4.136  -4.899  -4.899
  182   2HB   ALA  24          2HB       ALA  24   3.013  -3.535  -3.535
  183   3HB   ALA  24          3HB       ALA  24   4.751  -3.229  -3.229
  184    H    ILE  25           H        ILE  25   2.895  -1.730  -1.730
  185    HA   ILE  25           HA       ILE  25   1.655  -0.278  -0.278
  186    HB   ILE  25           HB       ILE  25   0.676  -0.275  -0.275
  187   1HG1  ILE  25          2HG1      ILE  25   2.827   1.433   1.433
  188   2HG1  ILE  25          3HG1      ILE  25   3.454   0.106   0.106
  189   1HG2  ILE  25          1HG2      ILE  25   0.498   1.460   1.460
  190   2HG2  ILE  25          2HG2      ILE  25   1.294   2.302   2.302
  191   3HG2  ILE  25          3HG2      ILE  25  -0.315   1.576   1.576
  192   1HD1  ILE  25          2HD1      ILE  25   2.145  -1.262  -1.262
  193   2HD1  ILE  25          3HD1      ILE  25   2.734   0.182   0.182
  194   3HD1  ILE  25          1HD1      ILE  25   3.882  -0.875  -0.875
  195    H    CYS  26           H        CYS  26  -0.267  -0.378  -0.378
  196    HA   CYS  26           HA       CYS  26  -2.224  -2.288  -2.288
  197   1HB   CYS  26          2HB       CYS  26  -0.841  -3.173  -3.173
  198   2HB   CYS  26          1HB       CYS  26  -1.627  -1.962  -1.962
  199    H    LYS  27           H        LYS  27  -3.741  -0.800  -0.800
  200    HA   LYS  27           HA       LYS  27  -4.188   1.723   1.723
  201   1HB   LYS  27          2HB       LYS  27  -6.659   1.186   1.186
  202   2HB   LYS  27          1HB       LYS  27  -5.389   1.085   1.085
  203   1HG   LYS  27          2HG       LYS  27  -5.524  -1.214  -1.214
  204   2HG   LYS  27          1HG       LYS  27  -5.833  -1.423  -1.423
  205   1HD   LYS  27          2HD       LYS  27  -7.921  -1.999  -1.999
  206   2HD   LYS  27          1HD       LYS  27  -8.173  -0.289  -0.289
  207   1HE   LYS  27          2HE       LYS  27  -7.782   0.259   0.259
  208   2HE   LYS  27          1HE       LYS  27  -7.174  -1.348  -1.348
  209   1HZ   LYS  27          1HZ       LYS  27  -9.417  -2.217  -2.217
  210   2HZ   LYS  27          2HZ       LYS  27  -9.970  -0.705  -0.705
  211    H    CYS  28           H        CYS  28  -5.592   2.825   2.825
  212    HA   CYS  28           HA       CYS  28  -5.531   1.711   1.711
  213   1HB   CYS  28          2HB       CYS  28  -5.836   4.222   4.222
  214   2HB   CYS  28          1HB       CYS  28  -7.455   3.895   3.895
  215    H    TYR  29           H        TYR  29  -8.276   2.629   2.629
  216    HA   TYR  29           HA       TYR  29 -10.264   1.284   1.284
  217   1HB   TYR  29          2HB       TYR  29  -8.675  -0.619  -0.619
  218   2HB   TYR  29          1HB       TYR  29  -9.167  -0.156  -0.156
  219    HD1  TYR  29           HD2      TYR  29 -12.022   0.442   0.442
  220    HD2  TYR  29           HD1      TYR  29  -9.627  -2.851  -2.851
  221    HE1  TYR  29           HE2      TYR  29 -14.035  -1.100  -1.100
  222    HE2  TYR  29           HE1      TYR  29 -11.649  -4.382  -4.382
  223    HH   TYR  29           HH       TYR  29 -14.094  -3.947  -3.947
  224    H    VAL  30           H        VAL  30 -11.583   3.023   3.023
  225    HA   VAL  30           HA       VAL  30 -13.047   4.140   4.140
  226    HB   VAL  30           HB       VAL  30 -12.488   2.510   2.510
  227   1HG1  VAL  30          2HG1      VAL  30 -14.410   4.380   4.380
  228   2HG1  VAL  30          3HG1      VAL  30 -15.248   2.828   2.828
  229   3HG1  VAL  30          1HG1      VAL  30 -14.521   3.208   3.208
  230   1HG2  VAL  30          3HG2      VAL  30 -13.477   1.468   1.468
  231   2HG2  VAL  30          1HG2      VAL  30 -12.497   0.670   0.670
  232   3HG2  VAL  30          2HG2      VAL  30 -14.249   0.876   0.876
  233    H    LYS  31           H        LYS  31 -10.623   3.176   3.176
  234    HA   LYS  31           HA       LYS  31 -10.455   5.825   5.825
  235   1HB   LYS  31          2HB       LYS  31  -9.521   3.198   3.198
  236   2HB   LYS  31          1HB       LYS  31  -8.192   4.336   4.336
  237   1HG   LYS  31          2HG       LYS  31  -9.549   5.850   5.850
  238   2HG   LYS  31          1HG       LYS  31 -10.943   4.800   4.800
  239   1HD   LYS  31          2HD       LYS  31  -8.481   3.431   3.431
  240   2HD   LYS  31          1HD       LYS  31  -9.108   4.654   4.654
  241   1HE   LYS  31          2HE       LYS  31 -10.790   2.396   2.396
  242   2HE   LYS  31          1HE       LYS  31 -10.065   2.347   2.347
  243   1HZ   LYS  31          1HZ       LYS  31 -12.360   3.138   3.138
  244   2HZ   LYS  31          2HZ       LYS  31 -11.364   4.335   4.335
  245    H    LYS  32           H        LYS  32 -10.125   6.865   6.865
  246    HA   LYS  32           HA       LYS  32  -8.044   6.521   6.521
  247   1HB   LYS  32          2HB       LYS  32  -9.824   8.156   8.156
  248   2HB   LYS  32          1HB       LYS  32  -9.213   9.145   9.145
  249   1HG   LYS  32          2HG       LYS  32  -7.331   9.850   9.850
  250   2HG   LYS  32          1HG       LYS  32  -7.300   8.412   8.412
  251   1HD   LYS  32          2HD       LYS  32  -8.041  10.415  10.415
  252   2HD   LYS  32          1HD       LYS  32  -9.279   9.175   9.175
  253   1HE   LYS  32          2HE       LYS  32 -10.721  10.456  10.456
  254   2HE   LYS  32          1HE       LYS  32  -9.439  11.103  11.103
  255   1HZ   LYS  32          1HZ       LYS  32 -10.648  12.596  12.596
  256   2HZ   LYS  32          2HZ       LYS  32  -9.068  12.821  12.821
  257    H    CYS  33           H        CYS  33  -5.887   7.421   7.421
  258    HA   CYS  33           HA       CYS  33  -4.392   7.112   7.112
  259   1HB   CYS  33          2HB       CYS  33  -3.466   8.536   8.536
  260   2HB   CYS  33          1HB       CYS  33  -2.491   7.687   7.687
  261    HA   PRO  34           HA       PRO  34  -4.623  11.154  11.154
  262   1HB   PRO  34          2HB       PRO  34  -2.401  11.210  11.210
  263   2HB   PRO  34          1HB       PRO  34  -3.904  10.449  10.449
  264   1HG   PRO  34          2HG       PRO  34  -1.385   9.181   9.181
  265   2HG   PRO  34          1HG       PRO  34  -2.726   8.467   8.467
  266   1HD   PRO  34          2HD       PRO  34  -2.128   8.145   8.145
  267   2HD   PRO  34          1HD       PRO  34  -3.530   7.526   7.526
  268    H    ARG  35           H        ARG  35  -1.491  10.250  10.250
  269    HA   ARG  35           HA       ARG  35  -1.445  12.274  12.274
  270   1HB   ARG  35          2HB       ARG  35   0.429  13.714  13.714
  271   2HB   ARG  35          1HB       ARG  35  -1.253  14.035  14.035
  272   1HG   ARG  35          2HG       ARG  35  -0.987  13.422  13.422
  273   2HG   ARG  35          1HG       ARG  35  -0.214  11.914  11.914
  274   1HD   ARG  35          2HD       ARG  35   1.962  12.904  12.904
  275   2HD   ARG  35          1HD       ARG  35   1.320  14.531  14.531
  276    HE   ARG  35           HE       ARG  35   0.342  13.781  13.781
  277   1HH1  ARG  35          2HH2      ARG  35   3.590  13.420  13.420
  278   2HH1  ARG  35          1HH2      ARG  35   4.381  13.488  13.488
  279    HH2  ARG  35          1HH       ARG  35   3.065  13.754  13.754
  280    H    ASP  36           H        ASP  36   0.540  12.205  12.205
  281    HA   ASP  36           HA       ASP  36   1.758   9.889   9.889
  282   1HB   ASP  36          2HB       ASP  36   2.140  11.739  11.739
  283   2HB   ASP  36          1HB       ASP  36   2.971  12.669  12.669
  284    HD2  ASP  36          2HD       ASP  36   5.042  10.592  10.592
  285    H    GLY  37           H        GLY  37   3.653   8.815   8.815
  286   1HA   GLY  37          1HA       GLY  37   5.534   8.624   8.624
  287   2HA   GLY  37          2HA       GLY  37   5.166  10.151  10.151
  288    H    ALA  38           H        ALA  38   2.251   9.374   9.374
  289    HA   ALA  38           HA       ALA  38   2.269   8.597   8.597
  290   1HB   ALA  38          2HB       ALA  38   0.271   7.855   7.855
  291   2HB   ALA  38          3HB       ALA  38  -0.049   7.754   7.754
  292   3HB   ALA  38          1HB       ALA  38   0.269   9.333   9.333
  293    H    LYS  39           H        LYS  39   3.207   6.918   6.918
  294    HA   LYS  39           HA       LYS  39   4.069   4.622   4.622
  295   1HB   LYS  39          2HB       LYS  39   5.172   5.573   5.573
  296   2HB   LYS  39          1HB       LYS  39   3.793   5.114   5.114
  297   1HG   LYS  39          2HG       LYS  39   4.881   2.899   2.899
  298   2HG   LYS  39          1HG       LYS  39   6.011   3.515   3.515
  299   1HD   LYS  39          2HD       LYS  39   3.643   3.363   3.363
  300   2HD   LYS  39          1HD       LYS  39   3.506   1.978   1.978
  301   1HE   LYS  39          2HE       LYS  39   4.787   0.921   0.921
  302   2HE   LYS  39          1HE       LYS  39   6.127   1.718   1.718
  303   1HZ   LYS  39          1HZ       LYS  39   6.104   3.443   3.443
  304   2HZ   LYS  39          2HZ       LYS  39   4.652   3.016   3.016
  305    H    CYS  40           H        CYS  40   3.284   2.472   2.472
  306    HA   CYS  40           HA       CYS  40   0.795   1.954   1.954
  307   1HB   CYS  40          2HB       CYS  40  -0.357   2.776   2.776
  308   2HB   CYS  40          1HB       CYS  40   0.930   2.448   2.448
  309    H    GLU  41           H        GLU  41   0.245  -0.435  -0.435
  310    HA   GLU  41           HA       GLU  41   2.615  -1.934  -1.934
  311   1HB   GLU  41          2HB       GLU  41   1.842  -3.542  -3.542
  312   2HB   GLU  41          1HB       GLU  41   2.778  -2.112  -2.112
  313   1HG   GLU  41          2HG       GLU  41   0.553  -0.882  -0.882
  314   2HG   GLU  41          1HG       GLU  41  -0.249  -2.433  -2.433
  315    HE2  GLU  41          2HE       GLU  41  -0.355  -3.576  -3.576
  316    H    PHE  42           H        PHE  42   2.223  -4.039  -4.039
  317    HA   PHE  42           HA       PHE  42  -0.526  -4.310  -4.310
  318   1HB   PHE  42          2HB       PHE  42   1.278  -4.129  -4.129
  319   2HB   PHE  42          1HB       PHE  42   2.233  -5.344  -5.344
  320    HD1  PHE  42          2HD       PHE  42  -1.074  -4.935  -4.935
  321    HD2  PHE  42          1HD       PHE  42   2.145  -7.537  -7.537
  322    HE1  PHE  42          2HE       PHE  42  -2.097  -6.719  -6.719
  323    HE2  PHE  42          1HE       PHE  42   1.122  -9.321  -9.321
  324    HZ   PHE  42           HZ       PHE  42  -0.986  -8.890  -8.890
  325    H    ASP  43           H        ASP  43  -1.752  -5.686  -5.686
  326    HA   ASP  43           HA       ASP  43  -0.536  -7.644  -7.644
  327   1HB   ASP  43          2HB       ASP  43  -3.022  -6.369  -6.369
  328   2HB   ASP  43          1HB       ASP  43  -3.411  -8.007  -8.007
  329    HD2  ASP  43          2HD       ASP  43  -3.356  -7.388  -7.388
  330    H    SER  44           H        SER  44  -0.342  -9.904  -9.904
  331    HA   SER  44           HA       SER  44  -0.877 -10.658 -10.658
  332   1HB   SER  44          2HB       SER  44   0.716 -12.381 -12.381
  333   2HB   SER  44          1HB       SER  44   1.365 -11.049 -11.049
  334    HG   SER  44           HG       SER  44   0.587 -13.553 -13.553
  335    H    TYR  45           H        TYR  45  -2.182 -10.965 -10.965
  336    HA   TYR  45           HA       TYR  45  -3.416 -13.514 -13.514
  337   1HB   TYR  45          2HB       TYR  45  -4.126 -13.045 -13.045
  338   2HB   TYR  45          1HB       TYR  45  -2.738 -11.981 -11.981
  339    HD1  TYR  45           HD1      TYR  45  -3.839  -9.762  -9.762
  340    HD2  TYR  45           HD2      TYR  45  -5.585 -11.943 -11.943
  341    HE1  TYR  45           HE1      TYR  45  -5.327  -7.773  -7.773
  342    HE2  TYR  45           HE2      TYR  45  -7.067  -9.947  -9.947
  343    HH   TYR  45           HH       TYR  45  -7.118  -7.125  -7.125
  344    H    LYS  46           H        LYS  46  -3.982 -10.443 -10.443
  345    HA   LYS  46           HA       LYS  46  -6.572 -11.313 -11.313
  346   1HB   LYS  46          2HB       LYS  46  -6.267  -8.819  -8.819
  347   2HB   LYS  46          1HB       LYS  46  -7.651  -9.138  -9.138
  348   1HG   LYS  46          2HG       LYS  46  -7.744 -11.457 -11.457
  349   2HG   LYS  46          1HG       LYS  46  -6.743 -10.654 -10.654
  350   1HD   LYS  46          2HD       LYS  46  -8.417  -9.036  -9.036
  351   2HD   LYS  46          1HD       LYS  46  -9.285  -9.322  -9.322
  352   1HE   LYS  46          2HE       LYS  46  -9.772 -11.695 -11.695
  353   2HE   LYS  46          1HE       LYS  46  -9.103 -11.203 -11.203
  354   1HZ   LYS  46          1HZ       LYS  46 -11.470 -10.852 -10.852
  355   2HZ   LYS  46          2HZ       LYS  46 -10.786  -9.374  -9.374
  356    H    GLY  47           H        GLY  47  -4.528  -8.310  -8.310
  357   1HA   GLY  47          1HA       GLY  47  -3.283  -7.404  -7.404
  358   2HA   GLY  47          2HA       GLY  47  -4.094  -8.440  -8.440
  359    H    LYS  48           H        LYS  48  -4.849  -5.763  -5.763
  360    HA   LYS  48           HA       LYS  48  -6.690  -4.717  -4.717
  361   1HB   LYS  48          2HB       LYS  48  -6.921  -4.807  -4.807
  362   2HB   LYS  48          1HB       LYS  48  -7.815  -3.638  -3.638
  363   1HG   LYS  48          2HG       LYS  48  -7.891  -6.584  -6.584
  364   2HG   LYS  48          1HG       LYS  48  -8.923  -5.964  -5.964
  365   1HD   LYS  48          2HD       LYS  48  -9.809  -4.232  -4.232
  366   2HD   LYS  48          1HD       LYS  48  -8.852  -4.978  -4.978
  367   1HE   LYS  48          2HE       LYS  48 -10.748  -6.220  -6.220
  368   2HE   LYS  48          1HE       LYS  48 -10.143  -7.195  -7.195
  369   1HZ   LYS  48          1HZ       LYS  48 -11.837  -4.852  -4.852
  370   2HZ   LYS  48          2HZ       LYS  48 -12.534  -6.255  -6.255
  371    H    CYS  49           H        CYS  49  -3.640  -4.398  -4.398
  372    HA   CYS  49           HA       CYS  49  -2.185  -2.757  -2.757
  373   1HB   CYS  49          2HB       CYS  49  -2.758  -0.700  -0.700
  374   2HB   CYS  49          1HB       CYS  49  -2.267  -2.248  -2.248
  375    H    TYR  50           H        TYR  50  -2.871  -2.500  -2.500
  376    HA   TYR  50           HA       TYR  50  -4.844  -0.721  -0.721
  377   1HB   TYR  50          2HB       TYR  50  -2.239  -1.909  -1.909
  378   2HB   TYR  50          1HB       TYR  50  -3.020  -0.676  -0.676
  379    HD1  TYR  50           HD2      TYR  50  -3.732  -3.948  -3.948
  380    HD2  TYR  50           HD1      TYR  50  -4.684  -1.282  -1.282
  381    HE1  TYR  50           HE2      TYR  50  -5.260  -5.707  -5.707
  382    HE2  TYR  50           HE1      TYR  50  -6.208  -3.049  -3.049
  383    HH   TYR  50           HH       TYR  50  -6.605  -5.305  -5.305
  384    H    CYS  51           H        CYS  51  -4.737   1.207   1.207
  385    HA   CYS  51           HA       CYS  51  -2.314   2.768   2.768
  386   1HB   CYS  51          2HB       CYS  51  -4.864   3.552   3.552
  387   2HB   CYS  51          1HB       CYS  51  -3.259   4.218   4.218

  Start of MODEL    5
    1    H    ALA   1           H        ALA   1   3.581 -11.576 -11.576
    2    HA   ALA   1           HA       ALA   1   5.055 -10.949 -10.949
    3   1HB   ALA   1          1HB       ALA   1   2.435 -12.365 -12.365
    4   2HB   ALA   1          2HB       ALA   1   3.285 -11.977 -11.977
    5   3HB   ALA   1          3HB       ALA   1   4.089 -12.965 -12.965
    6    H    THR   2           H        THR   2   2.893  -8.701  -8.701
    7    HA   THR   2           HA       THR   2   2.069  -7.600  -7.600
    8    HB   THR   2           HB       THR   2   2.404  -6.106  -6.106
    9    HG1  THR   2          1HG       THR   2   0.197  -7.204  -7.204
   10   1HG2  THR   2          3HG2      THR   2   0.605  -5.997  -5.997
   11   2HG2  THR   2          1HG2      THR   2  -0.113  -5.613  -5.613
   12   3HG2  THR   2          2HG2      THR   2   1.261  -4.659  -4.659
   13    H    TYR   3           H        TYR   3   2.942  -6.041  -6.041
   14    HA   TYR   3           HA       TYR   3   5.787  -5.601  -5.601
   15   1HB   TYR   3          2HB       TYR   3   3.843  -4.798  -4.798
   16   2HB   TYR   3          1HB       TYR   3   5.589  -4.859  -4.859
   17    HD1  TYR   3           HD2      TYR   3   5.213  -7.622  -7.622
   18    HD2  TYR   3           HD1      TYR   3   4.051  -6.221  -6.221
   19    HE1  TYR   3           HE2      TYR   3   5.064 -10.020 -10.020
   20    HE2  TYR   3           HE1      TYR   3   3.905  -8.625  -8.625
   21    HH   TYR   3           HH       TYR   3   3.819 -10.741 -10.741
   22    H    ASN   4           H        ASN   4   6.445  -3.267  -3.267
   23    HA   ASN   4           HA       ASN   4   4.659  -1.288  -1.288
   24   1HB   ASN   4          2HB       ASN   4   7.616  -1.672  -1.672
   25   2HB   ASN   4          1HB       ASN   4   6.834  -0.119  -0.119
   26   1HD2  ASN   4          2HD2      ASN   4   5.678  -3.386  -3.386
   27   2HD2  ASN   4          1HD2      ASN   4   6.321  -3.574  -3.574
   28    H    GLY   5           H        GLY   5   4.671   0.663   0.663
   29   1HA   GLY   5          1HA       GLY   5   6.834   1.250   1.250
   30   2HA   GLY   5          2HA       GLY   5   5.378   0.693   0.693
   31    H    LYS   6           H        LYS   6   4.603   2.580   2.580
   32    HA   LYS   6           HA       LYS   6   3.584   4.551   4.551
   33   1HB   LYS   6          2HB       LYS   6   5.337   5.455   5.455
   34   2HB   LYS   6          1HB       LYS   6   4.625   6.438   6.438
   35   1HG   LYS   6          2HG       LYS   6   5.997   5.220   5.220
   36   2HG   LYS   6          1HG       LYS   6   6.720   4.257   4.257
   37   1HD   LYS   6          2HD       LYS   6   7.602   6.353   6.353
   38   2HD   LYS   6          1HD       LYS   6   6.904   7.298   7.298
   39   1HE   LYS   6          2HE       LYS   6   8.336   5.432   5.432
   40   2HE   LYS   6          1HE       LYS   6   9.335   5.566   5.566
   41   1HZ   LYS   6          1HZ       LYS   6  10.044   7.560   7.560
   42   2HZ   LYS   6          2HZ       LYS   6   8.532   8.150   8.150
   43    H    CYS   7           H        CYS   7   1.949   5.962   5.962
   44    HA   CYS   7           HA       CYS   7   0.958   4.777   4.777
   45   1HB   CYS   7          2HB       CYS   7  -1.333   5.605   5.605
   46   2HB   CYS   7          1HB       CYS   7  -0.737   3.957   3.957
   47    H    TYR   8           H        TYR   8  -0.355   6.343   6.343
   48    HA   TYR   8           HA       TYR   8   0.547   9.087   9.087
   49   1HB   TYR   8          2HB       TYR   8  -0.421   7.499   7.499
   50   2HB   TYR   8          1HB       TYR   8  -0.084   9.217   9.217
   51    HD1  TYR   8           HD1      TYR   8   2.390   9.105   9.105
   52    HD2  TYR   8           HD2      TYR   8   1.220   6.815   6.815
   53    HE1  TYR   8           HE1      TYR   8   4.830   8.602   8.602
   54    HE2  TYR   8           HE2      TYR   8   3.663   6.319   6.319
   55    HH   TYR   8           HH       TYR   8   5.840   7.370   7.370
   56    H    LYS   9           H        LYS   9  -1.028  10.807  10.807
   57    HA   LYS   9           HA       LYS   9  -3.640  10.191  10.191
   58   1HB   LYS   9          2HB       LYS   9  -1.918  12.475  12.475
   59   2HB   LYS   9          1HB       LYS   9  -3.404  12.911  12.911
   60   1HG   LYS   9          2HG       LYS   9  -4.568  11.674  11.674
   61   2HG   LYS   9          1HG       LYS   9  -3.027  11.931  11.931
   62   1HD   LYS   9          2HD       LYS   9  -3.347  14.199  14.199
   63   2HD   LYS   9          1HD       LYS   9  -4.059  14.336  14.336
   64   1HE   LYS   9          2HE       LYS   9  -6.229  13.680  13.680
   65   2HE   LYS   9          1HE       LYS   9  -5.592  13.007  13.007
   66   1HZ   LYS   9          1HZ       LYS   9  -4.796  15.533  15.533
   67   2HZ   LYS   9          2HZ       LYS   9  -6.126  15.795  15.795
   68    H    LYS  10           H        LYS  10  -2.486  12.110  12.110
   69    HA   LYS  10           HA       LYS  10  -4.767  12.112  12.112
   70   1HB   LYS  10          2HB       LYS  10  -2.343  13.044  13.044
   71   2HB   LYS  10          1HB       LYS  10  -2.184  11.596  11.596
   72   1HG   LYS  10          2HG       LYS  10  -4.682  12.490  12.490
   73   2HG   LYS  10          1HG       LYS  10  -3.870  14.008  14.008
   74   1HD   LYS  10          2HD       LYS  10  -2.112  12.174  12.174
   75   2HD   LYS  10          1HD       LYS  10  -3.619  12.423  12.423
   76   1HE   LYS  10          2HE       LYS  10  -3.045  15.009  15.009
   77   2HE   LYS  10          1HE       LYS  10  -1.427  14.363  14.363
   78   1HZ   LYS  10          1HZ       LYS  10  -2.705  15.313  15.313
   79   2HZ   LYS  10          2HZ       LYS  10  -1.775  13.989  13.989
   80    H    ASP  11           H        ASP  11  -2.182   9.727   9.727
   81    HA   ASP  11           HA       ASP  11  -3.914   8.086   8.086
   82   1HB   ASP  11          2HB       ASP  11  -1.158   7.928   7.928
   83   2HB   ASP  11          1HB       ASP  11  -1.932   6.364   6.364
   84    HD1  ASP  11          2HD       ASP  11  -2.642   8.350   8.350
   85    H    ASN  12           H        ASN  12  -3.486   8.641   8.641
   86    HA   ASN  12           HA       ASN  12  -3.992   7.525   7.525
   87   1HB   ASN  12          2HB       ASN  12  -6.214   8.370   8.370
   88   2HB   ASN  12          1HB       ASN  12  -6.475   6.807   6.807
   89   1HD2  ASN  12          2HD2      ASN  12  -8.284   5.946   5.946
   90   2HD2  ASN  12          1HD2      ASN  12  -8.288   6.340   6.340
   91    H    ILE  13           H        ILE  13  -2.196   5.864   5.864
   92    HA   ILE  13           HA       ILE  13  -3.465   3.223   3.223
   93    HB   ILE  13           HB       ILE  13  -1.723   2.466   2.466
   94   1HG1  ILE  13          2HG1      ILE  13  -0.573   4.201   4.201
   95   2HG1  ILE  13          3HG1      ILE  13  -1.125   5.427   5.427
   96   1HG2  ILE  13          2HG2      ILE  13  -4.101   3.942   3.942
   97   2HG2  ILE  13          3HG2      ILE  13  -2.907   4.362   4.362
   98   3HG2  ILE  13          1HG2      ILE  13  -3.346   2.659   2.659
   99   1HD1  ILE  13          1HD1      ILE  13   0.275   3.037   3.037
  100   2HD1  ILE  13          2HD1      ILE  13   1.262   4.221   4.221
  101   3HD1  ILE  13          3HD1      ILE  13   0.309   4.739   4.739
  102    H    CYS  14           H        CYS  14  -1.743   1.482   1.482
  103    HA   CYS  14           HA       CYS  14  -0.068   2.642   2.642
  104   1HB   CYS  14          2HB       CYS  14  -1.918   0.357   0.357
  105   2HB   CYS  14          1HB       CYS  14  -0.352  -0.004  -0.004
  106    H    LYS  15           H        LYS  15   2.042   2.664   2.664
  107    HA   LYS  15           HA       LYS  15   2.884   0.433   0.433
  108   1HB   LYS  15          2HB       LYS  15   4.296   1.856   1.856
  109   2HB   LYS  15          1HB       LYS  15   2.960   2.930   2.930
  110   1HG   LYS  15          2HG       LYS  15   4.270   3.539   3.539
  111   2HG   LYS  15          1HG       LYS  15   5.642   2.746   2.746
  112   1HD   LYS  15          2HD       LYS  15   4.180   4.735   4.735
  113   2HD   LYS  15          1HD       LYS  15   5.069   5.393   5.393
  114   1HE   LYS  15          2HE       LYS  15   7.028   5.141   5.141
  115   2HE   LYS  15          1HE       LYS  15   6.748   3.418   3.418
  116   1HZ   LYS  15          1HZ       LYS  15   6.909   4.461   4.461
  117   2HZ   LYS  15          2HZ       LYS  15   5.393   3.897   3.897
  118    H    TYR  16           H        TYR  16   4.383  -0.994  -0.994
  119    HA   TYR  16           HA       TYR  16   6.247  -0.222  -0.222
  120   1HB   TYR  16          2HB       TYR  16   5.320  -2.072  -2.072
  121   2HB   TYR  16          1HB       TYR  16   4.270  -0.676  -0.676
  122    HD1  TYR  16           HD1      TYR  16   2.497  -0.863  -0.863
  123    HD2  TYR  16           HD2      TYR  16   4.352  -4.172  -4.172
  124    HE1  TYR  16           HE1      TYR  16   0.592  -2.379  -2.379
  125    HE2  TYR  16           HE2      TYR  16   2.442  -5.676  -5.676
  126    HH   TYR  16           HH       TYR  16   0.729  -5.843  -5.843
  127    H    LYS  17           H        LYS  17   7.809  -1.980  -1.980
  128    HA   LYS  17           HA       LYS  17   8.126  -3.625  -3.625
  129   1HB   LYS  17          2HB       LYS  17   9.930  -2.158  -2.158
  130   2HB   LYS  17          1HB       LYS  17  10.046  -3.479  -3.479
  131   1HG   LYS  17          2HG       LYS  17  10.155  -4.939  -4.939
  132   2HG   LYS  17          1HG       LYS  17  10.764  -3.429  -3.429
  133   1HD   LYS  17          2HD       LYS  17  12.705  -4.613  -4.613
  134   2HD   LYS  17          1HD       LYS  17  12.428  -3.386  -3.386
  135   1HE   LYS  17          2HE       LYS  17  12.243  -4.984  -4.984
  136   2HE   LYS  17          1HE       LYS  17  10.884  -5.699  -5.699
  137   1HZ   LYS  17          1HZ       LYS  17  12.678  -6.781  -6.781
  138   2HZ   LYS  17          2HZ       LYS  17  13.744  -6.378  -6.378
  139    H    ALA  18           H        ALA  18   6.939  -5.472  -5.472
  140    HA   ALA  18           HA       ALA  18   5.863  -6.757  -6.757
  141   1HB   ALA  18          3HB       ALA  18   5.592  -7.093  -7.093
  142   2HB   ALA  18          1HB       ALA  18   6.923  -8.262  -8.262
  143   3HB   ALA  18          2HB       ALA  18   5.404  -8.507  -8.507
  144    H    GLN  19           H        GLN  19   6.453  -8.920  -8.920
  145    HA   GLN  19           HA       GLN  19   8.919  -8.722  -8.722
  146   1HB   GLN  19          2HB       GLN  19   6.954  -9.929  -9.929
  147   2HB   GLN  19          1HB       GLN  19   7.115 -11.165 -11.165
  148   1HG   GLN  19          2HG       GLN  19   9.324 -11.817 -11.817
  149   2HG   GLN  19          1HG       GLN  19   9.337 -10.472 -10.472
  150   1HE2  GLN  19          2HE2      GLN  19   8.389 -13.013 -13.013
  151   2HE2  GLN  19          1HE2      GLN  19   9.721 -12.165 -12.165
  152    H    SER  20           H        SER  20   7.928 -10.168 -10.168
  153    HA   SER  20           HA       SER  20  10.638 -11.218 -11.218
  154   1HB   SER  20          2HB       SER  20   9.270 -12.649 -12.649
  155   2HB   SER  20          1HB       SER  20   9.558 -13.216 -13.216
  156    HG   SER  20           HG       SER  20   7.231 -11.646 -11.646
  157    H    GLY  21           H        GLY  21   8.905  -8.610  -8.610
  158   1HA   GLY  21          1HA       GLY  21   9.204  -7.004  -7.004
  159   2HA   GLY  21          2HA       GLY  21  10.343  -8.036  -8.036
  160    H    LYS  22           H        LYS  22   7.501  -9.818  -9.818
  161    HA   LYS  22           HA       LYS  22   6.831  -9.842  -9.842
  162   1HB   LYS  22          2HB       LYS  22   6.676 -11.780 -11.780
  163   2HB   LYS  22          1HB       LYS  22   5.284 -11.005 -11.005
  164   1HG   LYS  22          2HG       LYS  22   4.274 -10.910 -10.910
  165   2HG   LYS  22          1HG       LYS  22   5.560 -12.002 -12.002
  166   1HD   LYS  22          2HD       LYS  22   4.620 -13.270 -13.270
  167   2HD   LYS  22          1HD       LYS  22   3.147 -12.527 -12.527
  168   1HE   LYS  22          2HE       LYS  22   3.263 -14.691 -14.691
  169   2HE   LYS  22          1HE       LYS  22   3.664 -13.529 -13.529
  170   1HZ   LYS  22          1HZ       LYS  22   6.005 -14.342 -14.342
  171   2HZ   LYS  22          2HZ       LYS  22   5.235 -15.643 -15.643
  172    H    THR  23           H        THR  23   4.878  -8.900  -8.900
  173    HA   THR  23           HA       THR  23   2.823  -7.699  -7.699
  174    HB   THR  23           HB       THR  23   3.594  -8.155  -8.155
  175    HG1  THR  23          1HG       THR  23   1.367  -7.691  -7.691
  176   1HG2  THR  23          3HG2      THR  23   4.393  -5.552  -5.552
  177   2HG2  THR  23          1HG2      THR  23   2.667  -5.308  -5.308
  178   3HG2  THR  23          2HG2      THR  23   3.713  -6.140  -6.140
  179    H    ALA  24           H        ALA  24   2.457  -5.099  -5.099
  180    HA   ALA  24           HA       ALA  24   4.597  -3.390  -3.390
  181   1HB   ALA  24          3HB       ALA  24   4.116  -4.781  -4.781
  182   2HB   ALA  24          1HB       ALA  24   3.218  -3.262  -3.262
  183   3HB   ALA  24          2HB       ALA  24   4.959  -3.219  -3.219
  184    H    ILE  25           H        ILE  25   3.111  -1.496  -1.496
  185    HA   ILE  25           HA       ILE  25   1.665  -0.156  -0.156
  186    HB   ILE  25           HB       ILE  25   1.094  -0.061  -0.061
  187   1HG1  ILE  25          2HG1      ILE  25   3.546   0.757   0.757
  188   2HG1  ILE  25          3HG1      ILE  25   3.399   0.034   0.034
  189   1HG2  ILE  25          2HG2      ILE  25  -0.106   1.310   1.310
  190   2HG2  ILE  25          3HG2      ILE  25   1.282   2.379   2.379
  191   3HG2  ILE  25          1HG2      ILE  25   0.163   1.966   1.966
  192   1HD1  ILE  25          3HD1      ILE  25   2.195   2.280   2.280
  193   2HD1  ILE  25          1HD1      ILE  25   2.962   2.919   2.919
  194   3HD1  ILE  25          2HD1      ILE  25   3.967   2.265   2.265
  195    H    CYS  26           H        CYS  26  -0.478  -0.069  -0.069
  196    HA   CYS  26           HA       CYS  26  -2.350  -1.862  -1.862
  197   1HB   CYS  26          2HB       CYS  26  -1.064  -3.037  -3.037
  198   2HB   CYS  26          1HB       CYS  26  -2.049  -2.043  -2.043
  199    H    LYS  27           H        LYS  27  -4.012  -0.455  -0.455
  200    HA   LYS  27           HA       LYS  27  -4.386   2.030   2.030
  201   1HB   LYS  27          2HB       LYS  27  -5.742   1.040   1.040
  202   2HB   LYS  27          1HB       LYS  27  -6.498  -0.058  -0.058
  203   1HG   LYS  27          2HG       LYS  27  -7.601   1.777   1.777
  204   2HG   LYS  27          1HG       LYS  27  -6.677   2.974   2.974
  205   1HD   LYS  27          2HD       LYS  27  -9.086   2.565   2.565
  206   2HD   LYS  27          1HD       LYS  27  -7.837   2.542   2.542
  207   1HE   LYS  27          2HE       LYS  27  -7.988   0.234   0.234
  208   2HE   LYS  27          1HE       LYS  27  -8.484  -0.080  -0.080
  209   1HZ   LYS  27          1HZ       LYS  27 -10.285  -0.309  -0.309
  210   2HZ   LYS  27          2HZ       LYS  27 -10.679   0.678   0.678
  211    H    CYS  28           H        CYS  28  -5.752   3.103   3.103
  212    HA   CYS  28           HA       CYS  28  -5.495   1.727   1.727
  213   1HB   CYS  28          2HB       CYS  28  -5.592   4.512   4.512
  214   2HB   CYS  28          1HB       CYS  28  -6.561   4.219   4.219
  215    H    TYR  29           H        TYR  29  -7.213   0.140   0.140
  216    HA   TYR  29           HA       TYR  29  -9.861   1.044   1.044
  217   1HB   TYR  29          2HB       TYR  29  -9.336  -1.198  -1.198
  218   2HB   TYR  29          1HB       TYR  29  -8.335  -1.474  -1.474
  219    HD1  TYR  29           HD2      TYR  29 -11.949  -0.686  -0.686
  220    HD2  TYR  29           HD1      TYR  29  -9.132  -3.054  -3.054
  221    HE1  TYR  29           HE2      TYR  29 -13.857  -1.943  -1.943
  222    HE2  TYR  29           HE1      TYR  29 -11.049  -4.303  -4.303
  223    HH   TYR  29           HH       TYR  29 -13.202  -4.668  -4.668
  224    H    VAL  30           H        VAL  30  -8.045   1.633   1.633
  225    HA   VAL  30           HA       VAL  30 -10.315   1.198   1.198
  226    HB   VAL  30           HB       VAL  30  -7.494   1.615   1.615
  227   1HG1  VAL  30          3HG1      VAL  30  -9.968   1.193   1.193
  228   2HG1  VAL  30          1HG1      VAL  30  -9.095  -0.351  -0.351
  229   3HG1  VAL  30          2HG1      VAL  30  -8.354   1.153   1.153
  230   1HG2  VAL  30          2HG2      VAL  30  -7.383  -0.178  -0.178
  231   2HG2  VAL  30          3HG2      VAL  30  -7.062  -0.783  -0.783
  232   3HG2  VAL  30          1HG2      VAL  30  -8.644  -1.074  -1.074
  233    H    LYS  31           H        LYS  31  -8.518   2.995   2.995
  234    HA   LYS  31           HA       LYS  31  -9.926   5.372   5.372
  235   1HB   LYS  31          2HB       LYS  31  -9.075   4.441   4.441
  236   2HB   LYS  31          1HB       LYS  31  -7.529   5.143   5.143
  237   1HG   LYS  31          2HG       LYS  31  -8.331   7.345   7.345
  238   2HG   LYS  31          1HG       LYS  31  -9.979   6.881   6.881
  239   1HD   LYS  31          2HD       LYS  31 -10.509   6.676   6.676
  240   2HD   LYS  31          1HD       LYS  31  -9.142   5.620   5.620
  241   1HE   LYS  31          2HE       LYS  31  -8.261   8.392   8.392
  242   2HE   LYS  31          1HE       LYS  31  -9.435   8.293   8.293
  243   1HZ   LYS  31          1HZ       LYS  31  -7.861   7.388   7.388
  244   2HZ   LYS  31          2HZ       LYS  31  -7.603   6.160   6.160
  245    H    LYS  32           H        LYS  32  -9.508   6.850   6.850
  246    HA   LYS  32           HA       LYS  32  -7.518   6.759   6.759
  247   1HB   LYS  32          2HB       LYS  32  -9.593   8.273   8.273
  248   2HB   LYS  32          1HB       LYS  32  -8.584   9.389   9.389
  249   1HG   LYS  32          2HG       LYS  32  -7.092   8.517   8.517
  250   2HG   LYS  32          1HG       LYS  32  -8.693   8.981   8.981
  251   1HD   LYS  32          2HD       LYS  32  -6.695  10.679  10.679
  252   2HD   LYS  32          1HD       LYS  32  -7.324  10.975  10.975
  253   1HE   LYS  32          2HE       LYS  32  -9.655  10.832  10.832
  254   2HE   LYS  32          1HE       LYS  32  -8.529  11.597  11.597
  255   1HZ   LYS  32          1HZ       LYS  32  -8.128  12.840  12.840
  256   2HZ   LYS  32          2HZ       LYS  32  -9.746  12.711  12.711
  257    H    CYS  33           H        CYS  33  -5.497   7.944   7.944
  258    HA   CYS  33           HA       CYS  33  -3.888   7.807   7.807
  259   1HB   CYS  33          2HB       CYS  33  -3.325   7.368   7.368
  260   2HB   CYS  33          1HB       CYS  33  -2.969   9.084   9.084
  261    HA   PRO  34           HA       PRO  34  -4.401  11.983  11.983
  262   1HB   PRO  34          2HB       PRO  34  -2.335  12.232  12.232
  263   2HB   PRO  34          1HB       PRO  34  -3.875  11.511  11.511
  264   1HG   PRO  34          2HG       PRO  34  -1.284  10.183  10.183
  265   2HG   PRO  34          1HG       PRO  34  -2.699   9.551   9.551
  266   1HD   PRO  34          2HD       PRO  34  -1.846   8.941   8.941
  267   2HD   PRO  34          1HD       PRO  34  -3.320   8.401   8.401
  268    H    ARG  35           H        ARG  35  -1.375  10.870  10.870
  269    HA   ARG  35           HA       ARG  35  -1.169  12.880  12.880
  270   1HB   ARG  35          2HB       ARG  35   0.875  14.122  14.122
  271   2HB   ARG  35          1HB       ARG  35  -0.764  14.632  14.632
  272   1HG   ARG  35          2HG       ARG  35  -0.570  14.049  14.049
  273   2HG   ARG  35          1HG       ARG  35  -0.007  12.442  12.442
  274   1HD   ARG  35          2HD       ARG  35   2.277  13.108  13.108
  275   2HD   ARG  35          1HD       ARG  35   1.883  14.801  14.801
  276    HE   ARG  35           HE       ARG  35   1.460  15.012  15.012
  277   1HH1  ARG  35          2HH2      ARG  35   2.068  11.628  11.628
  278   2HH1  ARG  35          1HH2      ARG  35   2.260  11.118  11.118
  279    HH2  ARG  35          1HH       ARG  35   2.048  12.730  12.730
  280    H    ASP  36           H        ASP  36   0.623  12.468  12.468
  281    HA   ASP  36           HA       ASP  36   1.663  10.091  10.091
  282   1HB   ASP  36          2HB       ASP  36   2.285  11.541  11.541
  283   2HB   ASP  36          1HB       ASP  36   2.785  12.810  12.810
  284    HD1  ASP  36          2HD       ASP  36   5.799  10.928  10.928
  285    H    GLY  37           H        GLY  37   3.368   8.827   8.827
  286   1HA   GLY  37          1HA       GLY  37   5.373   8.588   8.588
  287   2HA   GLY  37          2HA       GLY  37   5.083  10.115  10.115
  288    H    ALA  38           H        ALA  38   2.144   9.435   9.435
  289    HA   ALA  38           HA       ALA  38   2.181   8.625   8.625
  290   1HB   ALA  38          1HB       ALA  38   0.265   9.103   9.103
  291   2HB   ALA  38          2HB       ALA  38  -0.069   7.432   7.432
  292   3HB   ALA  38          3HB       ALA  38  -0.058   8.746   8.746
  293    H    LYS  39           H        LYS  39   2.967   6.876   6.876
  294    HA   LYS  39           HA       LYS  39   3.843   4.603   4.603
  295   1HB   LYS  39          2HB       LYS  39   4.766   5.516   5.516
  296   2HB   LYS  39          1HB       LYS  39   3.347   4.901   4.901
  297   1HG   LYS  39          2HG       LYS  39   3.886   2.590   2.590
  298   2HG   LYS  39          1HG       LYS  39   5.337   3.226   3.226
  299   1HD   LYS  39          2HD       LYS  39   6.229   2.499   2.499
  300   2HD   LYS  39          1HD       LYS  39   5.839   4.153   4.153
  301   1HE   LYS  39          2HE       LYS  39   4.701   3.200   3.200
  302   2HE   LYS  39          1HE       LYS  39   3.439   2.934   2.934
  303   1HZ   LYS  39          1HZ       LYS  39   3.956   0.859   0.859
  304   2HZ   LYS  39          2HZ       LYS  39   4.469   0.729   0.729
  305    H    CYS  40           H        CYS  40   3.048   2.410   2.410
  306    HA   CYS  40           HA       CYS  40   0.386   2.019   2.019
  307   1HB   CYS  40          2HB       CYS  40  -0.330   1.084   1.084
  308   2HB   CYS  40          1HB       CYS  40  -0.425   2.810   2.810
  309    H    GLU  41           H        GLU  41  -0.129  -0.320  -0.320
  310    HA   GLU  41           HA       GLU  41   2.241  -1.945  -1.945
  311   1HB   GLU  41          2HB       GLU  41   0.404  -2.876  -2.876
  312   2HB   GLU  41          1HB       GLU  41   2.155  -2.881  -2.881
  313   1HG   GLU  41          2HG       GLU  41   0.358  -0.486  -0.486
  314   2HG   GLU  41          1HG       GLU  41   1.406  -1.311  -1.311
  315    HE1  GLU  41          2HE       GLU  41   3.898  -1.112  -1.112
  316    H    PHE  42           H        PHE  42   1.918  -3.771  -3.771
  317    HA   PHE  42           HA       PHE  42  -0.805  -4.217  -4.217
  318   1HB   PHE  42          2HB       PHE  42   1.063  -3.993  -3.993
  319   2HB   PHE  42          1HB       PHE  42   1.995  -5.212  -5.212
  320    HD1  PHE  42          2HD       PHE  42  -1.280  -4.812  -4.812
  321    HD2  PHE  42          1HD       PHE  42   1.957  -7.385  -7.385
  322    HE1  PHE  42          2HE       PHE  42  -2.251  -6.587  -6.587
  323    HE2  PHE  42          1HE       PHE  42   0.985  -9.159  -9.159
  324    HZ   PHE  42           HZ       PHE  42  -1.107  -8.739  -8.739
  325    H    ASP  43           H        ASP  43  -1.948  -5.477  -5.477
  326    HA   ASP  43           HA       ASP  43  -0.767  -7.414  -7.414
  327   1HB   ASP  43          2HB       ASP  43  -3.322  -6.269  -6.269
  328   2HB   ASP  43          1HB       ASP  43  -3.577  -7.966  -7.966
  329    HD2  ASP  43          2HD       ASP  43  -4.459  -8.759  -8.759
  330    H    SER  44           H        SER  44  -0.264  -9.590  -9.590
  331    HA   SER  44           HA       SER  44  -0.867 -10.486 -10.486
  332   1HB   SER  44          2HB       SER  44   0.977 -11.944 -11.944
  333   2HB   SER  44          1HB       SER  44   1.496 -10.522 -10.522
  334    HG   SER  44           HG       SER  44   0.404 -12.951 -12.951
  335    H    TYR  45           H        TYR  45  -2.812 -10.384 -10.384
  336    HA   TYR  45           HA       TYR  45  -3.323 -13.257 -13.257
  337   1HB   TYR  45          2HB       TYR  45  -4.785 -10.968 -10.968
  338   2HB   TYR  45          1HB       TYR  45  -4.425 -12.559 -12.559
  339    HD1  TYR  45           HD1      TYR  45  -1.400 -12.419 -12.419
  340    HD2  TYR  45           HD2      TYR  45  -3.968  -9.803  -9.803
  341    HE1  TYR  45           HE1      TYR  45   0.612 -11.466 -11.466
  342    HE2  TYR  45           HE2      TYR  45  -1.947  -8.859  -8.859
  343    HH   TYR  45           HH       TYR  45   0.225  -8.793  -8.793
  344    H    LYS  46           H        LYS  46  -4.503 -10.244 -10.244
  345    HA   LYS  46           HA       LYS  46  -6.834 -11.741 -11.741
  346   1HB   LYS  46          2HB       LYS  46  -6.756  -8.857  -8.857
  347   2HB   LYS  46          1HB       LYS  46  -8.097  -9.585  -9.585
  348   1HG   LYS  46          2HG       LYS  46  -7.799 -11.449 -11.449
  349   2HG   LYS  46          1HG       LYS  46  -7.162 -10.057 -10.057
  350   1HD   LYS  46          2HD       LYS  46  -9.785  -9.818  -9.818
  351   2HD   LYS  46          1HD       LYS  46  -9.760 -10.579 -10.579
  352   1HE   LYS  46          2HE       LYS  46  -9.556  -8.576  -8.576
  353   2HE   LYS  46          1HE       LYS  46  -8.211  -8.095  -8.095
  354   1HZ   LYS  46          1HZ       LYS  46 -10.818  -7.148  -7.148
  355   2HZ   LYS  46          2HZ       LYS  46  -9.598  -6.785  -6.785
  356    H    GLY  47           H        GLY  47  -4.706  -8.844  -8.844
  357   1HA   GLY  47          1HA       GLY  47  -3.416  -8.813  -8.813
  358   2HA   GLY  47          2HA       GLY  47  -4.808  -9.466  -9.466
  359    H    LYS  48           H        LYS  48  -5.027  -6.978  -6.978
  360    HA   LYS  48           HA       LYS  48  -6.019  -5.132  -5.132
  361   1HB   LYS  48          2HB       LYS  48  -6.796  -5.713  -5.713
  362   2HB   LYS  48          1HB       LYS  48  -6.906  -4.046  -4.046
  363   1HG   LYS  48          2HG       LYS  48  -9.040  -5.065  -5.065
  364   2HG   LYS  48          1HG       LYS  48  -8.230  -4.842  -4.842
  365   1HD   LYS  48          2HD       LYS  48  -8.452  -7.059  -7.059
  366   2HD   LYS  48          1HD       LYS  48  -7.385  -7.396  -7.396
  367   1HE   LYS  48          2HE       LYS  48  -9.205  -7.641  -7.641
  368   2HE   LYS  48          1HE       LYS  48 -10.333  -6.823  -6.823
  369   1HZ   LYS  48          1HZ       LYS  48  -9.945  -9.534  -9.534
  370   2HZ   LYS  48          2HZ       LYS  48 -10.769  -8.758  -8.758
  371    H    CYS  49           H        CYS  49  -5.663  -2.714  -2.714
  372    HA   CYS  49           HA       CYS  49  -2.864  -2.539  -2.539
  373   1HB   CYS  49          2HB       CYS  49  -3.848  -0.230  -0.230
  374   2HB   CYS  49          1HB       CYS  49  -2.392  -1.179  -1.179
  375    H    TYR  50           H        TYR  50  -3.157  -2.136  -2.136
  376    HA   TYR  50           HA       TYR  50  -5.254  -0.508  -0.508
  377   1HB   TYR  50          2HB       TYR  50  -2.660  -1.806  -1.806
  378   2HB   TYR  50          1HB       TYR  50  -3.359  -0.597  -0.597
  379    HD1  TYR  50           HD2      TYR  50  -3.855  -3.931  -3.931
  380    HD2  TYR  50           HD1      TYR  50  -5.394  -1.035  -1.035
  381    HE1  TYR  50           HE2      TYR  50  -5.417  -5.681  -5.681
  382    HE2  TYR  50           HE1      TYR  50  -6.951  -2.795  -2.795
  383    HH   TYR  50           HH       TYR  50  -8.014  -5.062  -5.062
  384    H    CYS  51           H        CYS  51  -4.588   1.220   1.220
  385    HA   CYS  51           HA       CYS  51  -2.417   2.794   2.794
  386   1HB   CYS  51          2HB       CYS  51  -5.182   3.952   3.952
  387   2HB   CYS  51          1HB       CYS  51  -3.678   4.532   4.532

  Start of MODEL    6
    1    H    ALA   1           H        ALA   1   2.129 -11.854 -11.854
    2    HA   ALA   1           HA       ALA   1   4.636 -10.955 -10.955
    3   1HB   ALA   1          1HB       ALA   1   2.644 -12.844 -12.844
    4   2HB   ALA   1          2HB       ALA   1   3.103 -11.895 -11.895
    5   3HB   ALA   1          3HB       ALA   1   4.350 -12.757 -12.757
    6    H    THR   2           H        THR   2   2.374  -8.874  -8.874
    7    HA   THR   2           HA       THR   2   1.787  -7.642  -7.642
    8    HB   THR   2           HB       THR   2   2.019  -6.234  -6.234
    9    HG1  THR   2          1HG       THR   2   0.753  -7.932  -7.932
   10   1HG2  THR   2          3HG2      THR   2   0.833  -5.574  -5.574
   11   2HG2  THR   2          1HG2      THR   2  -0.515  -6.090  -6.090
   12   3HG2  THR   2          2HG2      THR   2   0.549  -4.760  -4.760
   13    H    TYR   3           H        TYR   3   2.827  -6.202  -6.202
   14    HA   TYR   3           HA       TYR   3   5.630  -5.788  -5.788
   15   1HB   TYR   3          2HB       TYR   3   3.834  -4.957  -4.957
   16   2HB   TYR   3          1HB       TYR   3   5.585  -4.993  -4.993
   17    HD1  TYR   3           HD2      TYR   3   5.076  -7.782  -7.782
   18    HD2  TYR   3           HD1      TYR   3   4.250  -6.353  -6.353
   19    HE1  TYR   3           HE2      TYR   3   5.012 -10.174 -10.174
   20    HE2  TYR   3           HE1      TYR   3   4.188  -8.750  -8.750
   21    HH   TYR   3           HH       TYR   3   4.219 -10.848 -10.848
   22    H    ASN   4           H        ASN   4   6.059  -3.371  -3.371
   23    HA   ASN   4           HA       ASN   4   4.363  -1.408  -1.408
   24   1HB   ASN   4          2HB       ASN   4   7.215  -1.909  -1.909
   25   2HB   ASN   4          1HB       ASN   4   6.621  -0.260  -0.260
   26   1HD2  ASN   4          2HD2      ASN   4   5.102  -3.070  -3.070
   27   2HD2  ASN   4          1HD2      ASN   4   5.964  -3.518  -3.518
   28    H    GLY   5           H        GLY   5   4.703   0.709   0.709
   29   1HA   GLY   5          1HA       GLY   5   6.875   1.188   1.188
   30   2HA   GLY   5          2HA       GLY   5   5.460   0.655   0.655
   31    H    LYS   6           H        LYS   6   4.553   2.455   2.455
   32    HA   LYS   6           HA       LYS   6   3.623   4.511   4.511
   33   1HB   LYS   6          2HB       LYS   6   5.203   5.401   5.401
   34   2HB   LYS   6          1HB       LYS   6   4.686   6.339   6.339
   35   1HG   LYS   6          2HG       LYS   6   6.231   5.061   5.061
   36   2HG   LYS   6          1HG       LYS   6   6.714   4.056   4.056
   37   1HD   LYS   6          2HD       LYS   6   7.622   6.045   6.045
   38   2HD   LYS   6          1HD       LYS   6   7.086   7.087   7.087
   39   1HE   LYS   6          2HE       LYS   6   8.547   5.267   5.267
   40   2HE   LYS   6          1HE       LYS   6   9.406   5.195   5.195
   41   1HZ   LYS   6          1HZ       LYS   6  10.063   7.385   7.385
   42   2HZ   LYS   6          2HZ       LYS   6   8.770   7.852   7.852
   43    H    CYS   7           H        CYS   7   2.028   5.970   5.970
   44    HA   CYS   7           HA       CYS   7   0.945   4.705   4.705
   45   1HB   CYS   7          2HB       CYS   7  -1.337   5.460   5.460
   46   2HB   CYS   7          1HB       CYS   7  -0.678   3.837   3.837
   47    H    TYR   8           H        TYR   8  -0.506   6.255   6.255
   48    HA   TYR   8           HA       TYR   8   0.304   9.029   9.029
   49   1HB   TYR   8          2HB       TYR   8  -0.449   7.467   7.467
   50   2HB   TYR   8          1HB       TYR   8  -0.121   9.188   9.188
   51    HD1  TYR   8           HD2      TYR   8   2.116   8.255   8.255
   52    HD2  TYR   8           HD1      TYR   8   1.407   7.619   7.619
   53    HE1  TYR   8           HE2      TYR   8   4.589   7.783   7.783
   54    HE2  TYR   8           HE1      TYR   8   3.883   7.149   7.149
   55    HH   TYR   8           HH       TYR   8   6.171   8.047   8.047
   56    H    LYS   9           H        LYS   9  -1.310  10.668  10.668
   57    HA   LYS   9           HA       LYS   9  -3.974   9.809   9.809
   58   1HB   LYS   9          2HB       LYS   9  -4.277  12.427  12.427
   59   2HB   LYS   9          1HB       LYS   9  -3.539  11.670  11.670
   60   1HG   LYS   9          2HG       LYS   9  -1.373  12.358  12.358
   61   2HG   LYS   9          1HG       LYS   9  -1.740  12.430  12.430
   62   1HD   LYS   9          2HD       LYS   9  -1.570  14.713  14.713
   63   2HD   LYS   9          1HD       LYS   9  -3.293  14.418  14.418
   64   1HE   LYS   9          2HE       LYS   9  -3.053  13.754  13.754
   65   2HE   LYS   9          1HE       LYS   9  -1.609  14.741  14.741
   66   1HZ   LYS   9          1HZ       LYS   9  -3.455  16.142  16.142
   67   2HZ   LYS   9          2HZ       LYS   9  -3.050  16.538  16.538
   68    H    LYS  10           H        LYS  10  -2.353  11.784  11.784
   69    HA   LYS  10           HA       LYS  10  -4.502  12.086  12.086
   70   1HB   LYS  10          2HB       LYS  10  -1.991  12.900  12.900
   71   2HB   LYS  10          1HB       LYS  10  -1.799  11.518  11.518
   72   1HG   LYS  10          2HG       LYS  10  -4.128  12.606  12.606
   73   2HG   LYS  10          1HG       LYS  10  -3.314  14.052  14.052
   74   1HD   LYS  10          2HD       LYS  10  -1.324  12.469  12.469
   75   2HD   LYS  10          1HD       LYS  10  -2.740  12.439  12.439
   76   1HE   LYS  10          2HE       LYS  10  -2.759  14.795  14.795
   77   2HE   LYS  10          1HE       LYS  10  -1.827  15.077  15.077
   78   1HZ   LYS  10          1HZ       LYS  10  -0.600  13.597  13.597
   79   2HZ   LYS  10          2HZ       LYS  10  -0.640  15.225  15.225
   80    H    ASP  11           H        ASP  11  -2.080   9.375   9.375
   81    HA   ASP  11           HA       ASP  11  -3.716   7.978   7.978
   82   1HB   ASP  11          2HB       ASP  11  -1.076   7.598   7.598
   83   2HB   ASP  11          1HB       ASP  11  -1.909   6.115   6.115
   84    HD2  ASP  11          2HD       ASP  11   0.476   7.842   7.842
   85    H    ASN  12           H        ASN  12  -3.570   8.416   8.416
   86    HA   ASN  12           HA       ASN  12  -4.297   7.306   7.306
   87   1HB   ASN  12          2HB       ASN  12  -6.407   7.978   7.978
   88   2HB   ASN  12          1HB       ASN  12  -6.629   6.241   6.241
   89   1HD2  ASN  12          2HD2      ASN  12  -8.423   6.313   6.313
   90   2HD2  ASN  12          1HD2      ASN  12  -8.252   5.814   5.814
   91    H    ILE  13           H        ILE  13  -2.378   5.684   5.684
   92    HA   ILE  13           HA       ILE  13  -3.577   3.019   3.019
   93    HB   ILE  13           HB       ILE  13  -1.818   2.261   2.261
   94   1HG1  ILE  13          2HG1      ILE  13  -0.681   3.993   3.993
   95   2HG1  ILE  13          3HG1      ILE  13  -1.246   5.223   5.223
   96   1HG2  ILE  13          1HG2      ILE  13  -4.203   3.712   3.712
   97   2HG2  ILE  13          2HG2      ILE  13  -2.998   4.101   4.101
   98   3HG2  ILE  13          3HG2      ILE  13  -3.434   2.405   2.405
   99   1HD1  ILE  13          3HD1      ILE  13   0.168   2.855   2.855
  100   2HD1  ILE  13          1HD1      ILE  13   1.150   4.035   4.035
  101   3HD1  ILE  13          2HD1      ILE  13   0.190   4.563   4.563
  102    H    CYS  14           H        CYS  14  -1.505   1.398   1.398
  103    HA   CYS  14           HA       CYS  14   0.047   2.632   2.632
  104   1HB   CYS  14          2HB       CYS  14  -1.424   1.429   1.429
  105   2HB   CYS  14          1HB       CYS  14  -1.661   0.190   0.190
  106    H    LYS  15           H        LYS  15   2.163   2.594   2.594
  107    HA   LYS  15           HA       LYS  15   2.976   0.329   0.329
  108   1HB   LYS  15          2HB       LYS  15   4.559   1.738   1.738
  109   2HB   LYS  15          1HB       LYS  15   3.070   2.660   2.660
  110   1HG   LYS  15          2HG       LYS  15   3.955   3.678   3.678
  111   2HG   LYS  15          1HG       LYS  15   5.498   2.945   2.945
  112   1HD   LYS  15          2HD       LYS  15   4.042   4.756   4.756
  113   2HD   LYS  15          1HD       LYS  15   5.129   5.399   5.399
  114   1HE   LYS  15          2HE       LYS  15   6.924   4.880   4.880
  115   2HE   LYS  15          1HE       LYS  15   6.468   3.188   3.188
  116   1HZ   LYS  15          1HZ       LYS  15   4.743   4.531   4.531
  117   2HZ   LYS  15          2HZ       LYS  15   6.255   5.010   5.010
  118    H    TYR  16           H        TYR  16   4.545  -1.053  -1.053
  119    HA   TYR  16           HA       TYR  16   6.376  -0.247  -0.247
  120   1HB   TYR  16          2HB       TYR  16   5.487  -2.127  -2.127
  121   2HB   TYR  16          1HB       TYR  16   4.401  -0.760  -0.760
  122    HD1  TYR  16           HD1      TYR  16   2.643  -0.982  -0.982
  123    HD2  TYR  16           HD2      TYR  16   4.582  -4.253  -4.253
  124    HE1  TYR  16           HE1      TYR  16   0.785  -2.545  -2.545
  125    HE2  TYR  16           HE2      TYR  16   2.717  -5.805  -5.805
  126    HH   TYR  16           HH       TYR  16  -0.173  -4.560  -4.560
  127    H    LYS  17           H        LYS  17   7.977  -1.970  -1.970
  128    HA   LYS  17           HA       LYS  17   8.360  -3.583  -3.583
  129   1HB   LYS  17          2HB       LYS  17  10.111  -2.092  -2.092
  130   2HB   LYS  17          1HB       LYS  17  10.247  -3.444  -3.444
  131   1HG   LYS  17          2HG       LYS  17  10.431  -3.864  -3.864
  132   2HG   LYS  17          1HG       LYS  17  11.835  -3.375  -3.375
  133   1HD   LYS  17          2HD       LYS  17  11.243  -5.397  -5.397
  134   2HD   LYS  17          1HD       LYS  17  10.225  -5.940  -5.940
  135   1HE   LYS  17          2HE       LYS  17  12.063  -6.249  -6.249
  136   2HE   LYS  17          1HE       LYS  17  13.103  -5.171  -5.171
  137   1HZ   LYS  17          1HZ       LYS  17  12.624  -7.972  -7.972
  138   2HZ   LYS  17          2HZ       LYS  17  13.872  -7.060  -7.060
  139    H    ALA  18           H        ALA  18   7.237  -5.465  -5.465
  140    HA   ALA  18           HA       ALA  18   6.141  -6.799  -6.799
  141   1HB   ALA  18          3HB       ALA  18   5.900  -7.123  -7.123
  142   2HB   ALA  18          1HB       ALA  18   7.300  -8.213  -8.213
  143   3HB   ALA  18          2HB       ALA  18   5.800  -8.573  -8.573
  144    H    GLN  19           H        GLN  19   6.759  -8.918  -8.918
  145    HA   GLN  19           HA       GLN  19   9.217  -8.676  -8.676
  146   1HB   GLN  19          2HB       GLN  19   6.913 -10.413 -10.413
  147   2HB   GLN  19          1HB       GLN  19   8.353 -11.412 -11.412
  148   1HG   GLN  19          2HG       GLN  19   8.114  -8.964  -8.964
  149   2HG   GLN  19          1HG       GLN  19   7.460 -10.514 -10.514
  150   1HE2  GLN  19          2HE2      GLN  19  10.605 -12.183 -12.183
  151   2HE2  GLN  19          1HE2      GLN  19   8.951 -12.397 -12.397
  152    H    SER  20           H        SER  20   8.408  -9.828  -9.828
  153    HA   SER  20           HA       SER  20  11.078 -10.964 -10.964
  154   1HB   SER  20          2HB       SER  20   9.775 -12.471 -12.471
  155   2HB   SER  20          1HB       SER  20  10.047 -12.996 -12.996
  156    HG   SER  20           HG       SER  20   7.778 -13.149 -13.149
  157    H    GLY  21           H        GLY  21   9.261  -8.423  -8.423
  158   1HA   GLY  21          1HA       GLY  21   9.534  -6.825  -6.825
  159   2HA   GLY  21          2HA       GLY  21  10.669  -7.855  -7.855
  160    H    LYS  22           H        LYS  22   7.996  -9.796  -9.796
  161    HA   LYS  22           HA       LYS  22   7.231  -9.798  -9.798
  162   1HB   LYS  22          2HB       LYS  22   7.158 -11.730 -11.730
  163   2HB   LYS  22          1HB       LYS  22   5.743 -10.996 -10.996
  164   1HG   LYS  22          2HG       LYS  22   5.457 -11.078 -11.078
  165   2HG   LYS  22          1HG       LYS  22   5.824 -12.677 -12.677
  166   1HD   LYS  22          2HD       LYS  22   3.842 -12.834 -12.834
  167   2HD   LYS  22          1HD       LYS  22   3.782 -11.117 -11.117
  168   1HE   LYS  22          2HE       LYS  22   2.580 -10.644 -10.644
  169   2HE   LYS  22          1HE       LYS  22   3.522 -11.739 -11.739
  170   1HZ   LYS  22          1HZ       LYS  22   1.236 -12.530 -12.530
  171   2HZ   LYS  22          2HZ       LYS  22   2.262 -13.598 -13.598
  172    H    THR  23           H        THR  23   5.262  -8.944  -8.944
  173    HA   THR  23           HA       THR  23   3.173  -7.786  -7.786
  174    HB   THR  23           HB       THR  23   3.973  -8.241  -8.241
  175    HG1  THR  23          1HG       THR  23   1.701  -7.306  -7.306
  176   1HG2  THR  23          2HG2      THR  23   4.667  -5.608  -5.608
  177   2HG2  THR  23          3HG2      THR  23   2.931  -5.431  -5.431
  178   3HG2  THR  23          1HG2      THR  23   4.001  -6.230  -6.230
  179    H    ALA  24           H        ALA  24   2.720  -5.211  -5.211
  180    HA   ALA  24           HA       ALA  24   4.818  -3.436  -3.436
  181   1HB   ALA  24          2HB       ALA  24   4.404  -4.804  -4.804
  182   2HB   ALA  24          3HB       ALA  24   3.369  -3.372  -3.372
  183   3HB   ALA  24          1HB       ALA  24   5.105  -3.172  -3.172
  184    H    ILE  25           H        ILE  25   3.219  -1.591  -1.591
  185    HA   ILE  25           HA       ILE  25   1.786  -0.291  -0.291
  186    HB   ILE  25           HB       ILE  25   1.136  -0.216  -0.216
  187   1HG1  ILE  25          2HG1      ILE  25   3.602   0.674   0.674
  188   2HG1  ILE  25          3HG1      ILE  25   3.434  -0.051  -0.051
  189   1HG2  ILE  25          1HG2      ILE  25  -0.257   1.067   1.067
  190   2HG2  ILE  25          2HG2      ILE  25   1.194   2.054   2.054
  191   3HG2  ILE  25          3HG2      ILE  25   0.462   2.013   2.013
  192   1HD1  ILE  25          1HD1      ILE  25   2.364   2.060   2.060
  193   2HD1  ILE  25          2HD1      ILE  25   2.622   2.792   2.792
  194   3HD1  ILE  25          3HD1      ILE  25   4.018   2.323   2.323
  195    H    CYS  26           H        CYS  26  -0.370  -0.229  -0.229
  196    HA   CYS  26           HA       CYS  26  -2.209  -2.086  -2.086
  197   1HB   CYS  26          2HB       CYS  26  -0.794  -3.147  -3.147
  198   2HB   CYS  26          1HB       CYS  26  -1.968  -2.299  -2.299
  199    H    LYS  27           H        LYS  27  -3.938  -0.741  -0.741
  200    HA   LYS  27           HA       LYS  27  -4.364   1.730   1.730
  201   1HB   LYS  27          2HB       LYS  27  -6.618  -0.278  -0.278
  202   2HB   LYS  27          1HB       LYS  27  -6.690   1.448   1.448
  203   1HG   LYS  27          2HG       LYS  27  -4.609   0.638   0.638
  204   2HG   LYS  27          1HG       LYS  27  -5.715  -0.719  -0.719
  205   1HD   LYS  27          2HD       LYS  27  -7.540   1.252   1.252
  206   2HD   LYS  27          1HD       LYS  27  -6.147   2.142   2.142
  207   1HE   LYS  27          2HE       LYS  27  -5.686   0.325   0.325
  208   2HE   LYS  27          1HE       LYS  27  -7.085  -0.557  -0.557
  209   1HZ   LYS  27          1HZ       LYS  27  -8.209   1.795   1.795
  210   2HZ   LYS  27          2HZ       LYS  27  -7.007   1.857   1.857
  211    H    CYS  28           H        CYS  28  -5.554   2.812   2.812
  212    HA   CYS  28           HA       CYS  28  -5.032   1.631   1.631
  213   1HB   CYS  28          2HB       CYS  28  -5.185   4.185   4.185
  214   2HB   CYS  28          1HB       CYS  28  -6.753   4.033   4.033
  215    H    TYR  29           H        TYR  29  -7.533   2.881   2.881
  216    HA   TYR  29           HA       TYR  29  -9.664   1.249   1.249
  217   1HB   TYR  29          2HB       TYR  29  -8.018   0.108   0.108
  218   2HB   TYR  29          1HB       TYR  29  -8.949   1.083   1.083
  219    HD1  TYR  29           HD2      TYR  29 -11.385   0.576   0.576
  220    HD2  TYR  29           HD1      TYR  29  -8.961  -1.768  -1.768
  221    HE1  TYR  29           HE2      TYR  29 -13.182  -1.220  -1.220
  222    HE2  TYR  29           HE1      TYR  29 -10.767  -3.556  -3.556
  223    HH   TYR  29           HH       TYR  29 -13.907  -2.987  -2.987
  224    H    VAL  30           H        VAL  30 -11.040   1.470   1.470
  225    HA   VAL  30           HA       VAL  30 -12.419   3.825   3.825
  226    HB   VAL  30           HB       VAL  30 -12.305   1.723   1.723
  227   1HG1  VAL  30          1HG1      VAL  30 -13.095   4.540   4.540
  228   2HG1  VAL  30          2HG1      VAL  30 -13.709   3.097   3.097
  229   3HG1  VAL  30          3HG1      VAL  30 -11.962   3.438   3.438
  230   1HG2  VAL  30          1HG2      VAL  30 -14.274   3.118   3.118
  231   2HG2  VAL  30          2HG2      VAL  30 -14.146   1.399   1.399
  232   3HG2  VAL  30          3HG2      VAL  30 -14.894   2.556   2.556
  233    H    LYS  31           H        LYS  31  -9.625   3.101   3.101
  234    HA   LYS  31           HA       LYS  31  -9.611   5.822   5.822
  235   1HB   LYS  31          2HB       LYS  31  -8.472   3.260   3.260
  236   2HB   LYS  31          1HB       LYS  31  -7.271   4.535   4.535
  237   1HG   LYS  31          2HG       LYS  31  -9.353   5.868   5.868
  238   2HG   LYS  31          1HG       LYS  31  -9.777   4.233   4.233
  239   1HD   LYS  31          2HD       LYS  31  -7.243   4.046   4.046
  240   2HD   LYS  31          1HD       LYS  31  -7.268   5.798   5.798
  241   1HE   LYS  31          2HE       LYS  31  -8.999   5.926   5.926
  242   2HE   LYS  31          1HE       LYS  31  -9.371   4.219   4.219
  243   1HZ   LYS  31          1HZ       LYS  31  -7.934   3.993   3.993
  244   2HZ   LYS  31          2HZ       LYS  31  -6.725   4.221   4.221
  245    H    LYS  32           H        LYS  32  -9.477   6.652   6.652
  246    HA   LYS  32           HA       LYS  32  -7.450   6.216   6.216
  247   1HB   LYS  32          2HB       LYS  32  -8.529   8.971   8.971
  248   2HB   LYS  32          1HB       LYS  32  -7.893   8.396   8.396
  249   1HG   LYS  32          2HG       LYS  32  -9.801   6.567   6.567
  250   2HG   LYS  32          1HG       LYS  32 -10.513   7.676   7.676
  251   1HD   LYS  32          2HD       LYS  32  -9.874   8.210   8.210
  252   2HD   LYS  32          1HD       LYS  32 -11.451   8.211   8.211
  253   1HE   LYS  32          2HE       LYS  32 -10.187  10.110  10.110
  254   2HE   LYS  32          1HE       LYS  32  -9.333  10.325  10.325
  255   1HZ   LYS  32          1HZ       LYS  32 -11.149  11.625  11.625
  256   2HZ   LYS  32          2HZ       LYS  32 -11.831  10.225  10.225
  257    H    CYS  33           H        CYS  33  -5.523   7.735   7.735
  258    HA   CYS  33           HA       CYS  33  -3.859   7.658   7.658
  259   1HB   CYS  33          2HB       CYS  33  -3.301   7.157   7.157
  260   2HB   CYS  33          1HB       CYS  33  -3.023   8.886   8.886
  261    HA   PRO  34           HA       PRO  34  -4.545  11.845  11.845
  262   1HB   PRO  34          2HB       PRO  34  -2.503  12.220  12.220
  263   2HB   PRO  34          1HB       PRO  34  -4.021  11.458  11.458
  264   1HG   PRO  34          2HG       PRO  34  -1.382  10.206  10.206
  265   2HG   PRO  34          1HG       PRO  34  -2.780   9.550   9.550
  266   1HD   PRO  34          2HD       PRO  34  -1.885   8.890   8.890
  267   2HD   PRO  34          1HD       PRO  34  -3.346   8.323   8.323
  268    H    ARG  35           H        ARG  35  -1.350  10.863  10.863
  269    HA   ARG  35           HA       ARG  35  -1.255  12.886  12.886
  270   1HB   ARG  35          2HB       ARG  35   0.577  14.301  14.301
  271   2HB   ARG  35          1HB       ARG  35  -0.900  14.419  14.419
  272   1HG   ARG  35          2HG       ARG  35   0.362  12.270  12.270
  273   2HG   ARG  35          1HG       ARG  35   1.731  13.260  13.260
  274   1HD   ARG  35          2HD       ARG  35  -0.493  13.879  13.879
  275   2HD   ARG  35          1HD       ARG  35   1.223  14.200  14.200
  276    HE   ARG  35           HE       ARG  35   0.522  15.838  15.838
  277   1HH1  ARG  35          2HH2      ARG  35  -0.864  15.384  15.384
  278   2HH1  ARG  35          1HH2      ARG  35  -1.446  17.012  17.012
  279    HH2  ARG  35          1HH       ARG  35  -1.072  18.523  18.523
  280    H    ASP  36           H        ASP  36   0.518  12.517  12.517
  281    HA   ASP  36           HA       ASP  36   1.515  10.110  10.110
  282   1HB   ASP  36          2HB       ASP  36   2.115  11.510  11.510
  283   2HB   ASP  36          1HB       ASP  36   2.546  12.834  12.834
  284    HD2  ASP  36          2HD       ASP  36   3.697  10.336  10.336
  285    H    GLY  37           H        GLY  37   3.189   8.813   8.813
  286   1HA   GLY  37          1HA       GLY  37   5.262   8.561   8.561
  287   2HA   GLY  37          2HA       GLY  37   5.015  10.085  10.085
  288    H    ALA  38           H        ALA  38   2.095   9.436   9.436
  289    HA   ALA  38           HA       ALA  38   2.199   8.631   8.631
  290   1HB   ALA  38          1HB       ALA  38   0.226   9.032   9.032
  291   2HB   ALA  38          2HB       ALA  38  -0.074   7.382   7.382
  292   3HB   ALA  38          3HB       ALA  38  -0.041   8.747   8.747
  293    H    LYS  39           H        LYS  39   2.988   6.895   6.895
  294    HA   LYS  39           HA       LYS  39   3.867   4.616   4.616
  295   1HB   LYS  39          2HB       LYS  39   4.896   5.545   5.545
  296   2HB   LYS  39          1HB       LYS  39   3.499   5.006   5.006
  297   1HG   LYS  39          2HG       LYS  39   4.020   2.654   2.654
  298   2HG   LYS  39          1HG       LYS  39   5.614   3.337   3.337
  299   1HD   LYS  39          2HD       LYS  39   4.230   3.271   3.271
  300   2HD   LYS  39          1HD       LYS  39   5.340   2.031   2.031
  301   1HE   LYS  39          2HE       LYS  39   6.993   3.318   3.318
  302   2HE   LYS  39          1HE       LYS  39   6.788   4.358   4.358
  303   1HZ   LYS  39          1HZ       LYS  39   5.777   5.925   5.925
  304   2HZ   LYS  39          2HZ       LYS  39   4.875   4.862   4.862
  305    H    CYS  40           H        CYS  40   3.100   2.414   2.414
  306    HA   CYS  40           HA       CYS  40   0.515   1.981   1.981
  307   1HB   CYS  40          2HB       CYS  40  -0.434   1.131   1.131
  308   2HB   CYS  40          1HB       CYS  40  -0.379   2.867   2.867
  309    H    GLU  41           H        GLU  41  -0.120  -0.454  -0.454
  310    HA   GLU  41           HA       GLU  41   2.318  -1.981  -1.981
  311   1HB   GLU  41          2HB       GLU  41   0.327  -2.388  -2.388
  312   2HB   GLU  41          1HB       GLU  41   1.592  -3.529  -3.529
  313   1HG   GLU  41          2HG       GLU  41   3.161  -1.363  -1.363
  314   2HG   GLU  41          1HG       GLU  41   1.844  -0.760  -0.760
  315    HE2  GLU  41          2HE       GLU  41   2.817  -2.147  -2.147
  316    H    PHE  42           H        PHE  42   1.890  -4.272  -4.272
  317    HA   PHE  42           HA       PHE  42  -0.713  -4.443  -4.443
  318   1HB   PHE  42          2HB       PHE  42   1.247  -4.363  -4.363
  319   2HB   PHE  42          1HB       PHE  42   2.100  -5.549  -5.549
  320    HD1  PHE  42          2HD       PHE  42  -1.088  -5.225  -5.225
  321    HD2  PHE  42          1HD       PHE  42   2.129  -7.731  -7.731
  322    HE1  PHE  42          2HE       PHE  42  -1.982  -7.060  -7.060
  323    HE2  PHE  42          1HE       PHE  42   1.235  -9.565  -9.565
  324    HZ   PHE  42           HZ       PHE  42  -0.810  -9.207  -9.207
  325    H    ASP  43           H        ASP  43  -1.965  -5.530  -5.530
  326    HA   ASP  43           HA       ASP  43  -1.036  -7.488  -7.488
  327   1HB   ASP  43          2HB       ASP  43  -3.525  -6.287  -6.287
  328   2HB   ASP  43          1HB       ASP  43  -3.783  -8.008  -8.008
  329    HD1  ASP  43          2HD       ASP  43  -2.464  -6.873  -6.873
  330    H    SER  44           H        SER  44  -0.517  -9.669  -9.669
  331    HA   SER  44           HA       SER  44  -0.914 -10.648 -10.648
  332   1HB   SER  44          2HB       SER  44   0.799 -12.221 -12.221
  333   2HB   SER  44          1HB       SER  44   1.314 -10.767 -10.767
  334    HG   SER  44           HG       SER  44   1.090 -13.138 -13.138
  335    H    TYR  45           H        TYR  45  -2.852 -10.468 -10.468
  336    HA   TYR  45           HA       TYR  45  -3.605 -13.253 -13.253
  337   1HB   TYR  45          2HB       TYR  45  -5.156 -10.831 -10.831
  338   2HB   TYR  45          1HB       TYR  45  -4.927 -12.373 -12.373
  339    HD1  TYR  45           HD1      TYR  45  -1.807 -12.345 -12.345
  340    HD2  TYR  45           HD2      TYR  45  -4.556  -9.555  -9.555
  341    HE1  TYR  45           HE1      TYR  45   0.071 -11.341 -11.341
  342    HE2  TYR  45           HE2      TYR  45  -2.669  -8.559  -8.559
  343    HH   TYR  45           HH       TYR  45  -0.590  -8.692  -8.692
  344    H    LYS  46           H        LYS  46  -4.682 -10.242 -10.242
  345    HA   LYS  46           HA       LYS  46  -6.772 -11.840 -11.840
  346   1HB   LYS  46          2HB       LYS  46  -6.988  -9.064  -9.064
  347   2HB   LYS  46          1HB       LYS  46  -8.088  -9.639  -9.639
  348   1HG   LYS  46          2HG       LYS  46  -7.906 -11.729 -11.729
  349   2HG   LYS  46          1HG       LYS  46  -8.077 -10.235 -10.235
  350   1HD   LYS  46          2HD       LYS  46  -9.922  -9.946  -9.946
  351   2HD   LYS  46          1HD       LYS  46 -10.051 -11.641 -11.641
  352   1HE   LYS  46          2HE       LYS  46  -9.943  -9.769  -9.769
  353   2HE   LYS  46          1HE       LYS  46 -11.368  -9.613  -9.613
  354   1HZ   LYS  46          1HZ       LYS  46 -11.528 -12.144 -12.144
  355   2HZ   LYS  46          2HZ       LYS  46 -10.447 -12.031 -12.031
  356    H    GLY  47           H        GLY  47  -4.649  -8.912  -8.912
  357   1HA   GLY  47          1HA       GLY  47  -3.159  -8.767  -8.767
  358   2HA   GLY  47          2HA       GLY  47  -4.466  -9.337  -9.337
  359    H    LYS  48           H        LYS  48  -5.124  -7.093  -7.093
  360    HA   LYS  48           HA       LYS  48  -6.181  -5.196  -5.196
  361   1HB   LYS  48          2HB       LYS  48  -5.994  -5.299  -5.299
  362   2HB   LYS  48          1HB       LYS  48  -6.661  -3.925  -3.925
  363   1HG   LYS  48          2HG       LYS  48  -7.686  -6.649  -6.649
  364   2HG   LYS  48          1HG       LYS  48  -8.185  -6.017  -6.017
  365   1HD   LYS  48          2HD       LYS  48  -9.865  -5.240  -5.240
  366   2HD   LYS  48          1HD       LYS  48  -8.833  -3.842  -3.842
  367   1HE   LYS  48          2HE       LYS  48  -9.502  -4.398  -4.398
  368   2HE   LYS  48          1HE       LYS  48  -7.801  -4.096  -4.096
  369   1HZ   LYS  48          1HZ       LYS  48  -8.741  -6.867  -6.867
  370   2HZ   LYS  48          2HZ       LYS  48  -8.576  -6.241  -6.241
  371    H    CYS  49           H        CYS  49  -5.576  -2.716  -2.716
  372    HA   CYS  49           HA       CYS  49  -2.674  -2.569  -2.569
  373   1HB   CYS  49          2HB       CYS  49  -3.938  -0.525  -0.525
  374   2HB   CYS  49          1HB       CYS  49  -2.414  -1.370  -1.370
  375    H    TYR  50           H        TYR  50  -2.997  -2.034  -2.034
  376    HA   TYR  50           HA       TYR  50  -4.784  -0.226  -0.226
  377   1HB   TYR  50          2HB       TYR  50  -1.916  -1.110  -1.110
  378   2HB   TYR  50          1HB       TYR  50  -2.631   0.125   0.125
  379    HD1  TYR  50           HD2      TYR  50  -3.120  -3.374  -3.374
  380    HD2  TYR  50           HD1      TYR  50  -4.067  -0.458  -0.458
  381    HE1  TYR  50           HE2      TYR  50  -4.229  -5.172  -5.172
  382    HE2  TYR  50           HE1      TYR  50  -5.173  -2.266  -2.266
  383    HH   TYR  50           HH       TYR  50  -4.940  -5.641  -5.641
  384    H    CYS  51           H        CYS  51  -4.117   1.975   1.975
  385    HA   CYS  51           HA       CYS  51  -2.230   3.478   3.478
  386   1HB   CYS  51          2HB       CYS  51  -4.367   5.174   5.174
  387   2HB   CYS  51          1HB       CYS  51  -3.644   4.212   4.212

  Start of MODEL    7
    1    H    ALA   1           H        ALA   1   2.774 -10.755 -10.755
    2    HA   ALA   1           HA       ALA   1   4.721 -10.865 -10.865
    3   1HB   ALA   1          2HB       ALA   1   3.025 -12.740 -12.740
    4   2HB   ALA   1          3HB       ALA   1   3.831 -11.609 -11.609
    5   3HB   ALA   1          1HB       ALA   1   4.799 -12.593 -12.593
    6    H    THR   2           H        THR   2   3.189  -8.753  -8.753
    7    HA   THR   2           HA       THR   2   2.177  -7.368  -7.368
    8    HB   THR   2           HB       THR   2   2.704  -6.086  -6.086
    9    HG1  THR   2          1HG       THR   2   0.626  -7.302  -7.302
   10   1HG2  THR   2          3HG2      THR   2   1.106  -5.479  -5.479
   11   2HG2  THR   2          1HG2      THR   2  -0.034  -6.124  -6.124
   12   3HG2  THR   2          2HG2      THR   2   0.988  -4.723  -4.723
   13    H    TYR   3           H        TYR   3   3.215  -6.021  -6.021
   14    HA   TYR   3           HA       TYR   3   6.045  -5.624  -5.624
   15   1HB   TYR   3          2HB       TYR   3   4.211  -4.672  -4.672
   16   2HB   TYR   3          1HB       TYR   3   5.944  -4.911  -4.911
   17    HD1  TYR   3           HD2      TYR   3   5.391  -7.644  -7.644
   18    HD2  TYR   3           HD1      TYR   3   4.173  -6.083  -6.083
   19    HE1  TYR   3           HE2      TYR   3   5.014 -10.006 -10.006
   20    HE2  TYR   3           HE1      TYR   3   3.800  -8.451  -8.451
   21    HH   TYR   3           HH       TYR   3   3.481 -10.581 -10.581
   22    H    ASN   4           H        ASN   4   6.620  -3.243  -3.243
   23    HA   ASN   4           HA       ASN   4   4.939  -1.264  -1.264
   24   1HB   ASN   4          2HB       ASN   4   7.937  -0.990  -0.990
   25   2HB   ASN   4          1HB       ASN   4   6.657  -0.289  -0.289
   26   1HD2  ASN   4          2HD2      ASN   4   5.905  -3.405  -3.405
   27   2HD2  ASN   4          1HD2      ASN   4   5.103  -2.141  -2.141
   28    H    GLY   5           H        GLY   5   4.922   0.683   0.683
   29   1HA   GLY   5          1HA       GLY   5   7.035   1.284   1.284
   30   2HA   GLY   5          2HA       GLY   5   5.577   0.702   0.702
   31    H    LYS   6           H        LYS   6   4.782   2.583   2.583
   32    HA   LYS   6           HA       LYS   6   3.799   4.566   4.566
   33   1HB   LYS   6          2HB       LYS   6   5.508   5.333   5.333
   34   2HB   LYS   6          1HB       LYS   6   4.698   6.437   6.437
   35   1HG   LYS   6          2HG       LYS   6   6.048   5.616   5.616
   36   2HG   LYS   6          1HG       LYS   6   6.792   4.396   4.396
   37   1HD   LYS   6          2HD       LYS   6   7.671   6.285   6.285
   38   2HD   LYS   6          1HD       LYS   6   7.072   7.423   7.423
   39   1HE   LYS   6          2HE       LYS   6   8.831   5.173   5.173
   40   2HE   LYS   6          1HE       LYS   6   9.594   6.476   6.476
   41   1HZ   LYS   6          1HZ       LYS   6   9.409   7.783   7.783
   42   2HZ   LYS   6          2HZ       LYS   6   7.802   7.546   7.546
   43    H    CYS   7           H        CYS   7   2.156   6.020   6.020
   44    HA   CYS   7           HA       CYS   7   1.000   4.711   4.711
   45   1HB   CYS   7          2HB       CYS   7  -1.258   5.390   5.390
   46   2HB   CYS   7          1HB       CYS   7  -0.472   3.877   3.877
   47    H    TYR   8           H        TYR   8  -0.309   6.218   6.218
   48    HA   TYR   8           HA       TYR   8   0.458   9.014   9.014
   49   1HB   TYR   8          2HB       TYR   8  -0.184   7.362   7.362
   50   2HB   TYR   8          1HB       TYR   8   0.131   9.086   9.086
   51    HD1  TYR   8           HD2      TYR   8   2.271   8.206   8.206
   52    HD2  TYR   8           HD1      TYR   8   1.750   7.515   7.515
   53    HE1  TYR   8           HE2      TYR   8   4.760   7.743   7.743
   54    HE2  TYR   8           HE1      TYR   8   4.240   7.055   7.055
   55    HH   TYR   8           HH       TYR   8   6.447   7.861   7.861
   56    H    LYS   9           H        LYS   9  -1.120  10.595  10.595
   57    HA   LYS   9           HA       LYS   9  -3.818   9.662   9.662
   58   1HB   LYS   9          2HB       LYS   9  -4.313  11.966  11.966
   59   2HB   LYS   9          1HB       LYS   9  -2.934  11.360  11.360
   60   1HG   LYS   9          2HG       LYS   9  -2.082  13.417  13.417
   61   2HG   LYS   9          1HG       LYS   9  -1.539  12.427  12.427
   62   1HD   LYS   9          2HD       LYS   9  -2.562  14.099  14.099
   63   2HD   LYS   9          1HD       LYS   9  -3.965  13.076  13.076
   64   1HE   LYS   9          2HE       LYS   9  -5.010  14.669  14.669
   65   2HE   LYS   9          1HE       LYS   9  -3.632  14.823  14.823
   66   1HZ   LYS   9          1HZ       LYS   9  -4.429  16.652  16.652
   67   2HZ   LYS   9          2HZ       LYS   9  -3.060  16.717  16.717
   68    H    LYS  10           H        LYS  10  -1.928  11.759  11.759
   69    HA   LYS  10           HA       LYS  10  -4.009  12.460  12.460
   70   1HB   LYS  10          2HB       LYS  10  -1.330  12.955  12.955
   71   2HB   LYS  10          1HB       LYS  10  -1.405  11.921  11.921
   72   1HG   LYS  10          2HG       LYS  10  -3.181  13.380  13.380
   73   2HG   LYS  10          1HG       LYS  10  -3.125  14.410  14.410
   74   1HD   LYS  10          2HD       LYS  10  -0.448  13.981  13.981
   75   2HD   LYS  10          1HD       LYS  10  -1.563  14.695  14.695
   76   1HE   LYS  10          2HE       LYS  10  -1.527  15.835  15.835
   77   2HE   LYS  10          1HE       LYS  10  -0.161  16.195  16.195
   78   1HZ   LYS  10          1HZ       LYS  10  -1.886  17.858  17.858
   79   2HZ   LYS  10          2HZ       LYS  10  -1.764  17.016  17.016
   80    H    ASP  11           H        ASP  11  -1.961   9.493   9.493
   81    HA   ASP  11           HA       ASP  11  -3.532   8.476   8.476
   82   1HB   ASP  11          2HB       ASP  11  -0.871   7.999   7.999
   83   2HB   ASP  11          1HB       ASP  11  -1.736   6.484   6.484
   84    HD1  ASP  11          2HD       ASP  11  -2.012   7.350   7.350
   85    H    ASN  12           H        ASN  12  -3.614   8.644   8.644
   86    HA   ASN  12           HA       ASN  12  -4.409   7.403   7.403
   87   1HB   ASN  12          2HB       ASN  12  -6.451   8.260   8.260
   88   2HB   ASN  12          1HB       ASN  12  -6.568   6.658   6.658
   89   1HD2  ASN  12          2HD2      ASN  12  -8.863   6.077   6.077
   90   2HD2  ASN  12          1HD2      ASN  12  -8.639   6.487   6.487
   91    H    ILE  13           H        ILE  13  -2.420   5.855   5.855
   92    HA   ILE  13           HA       ILE  13  -3.587   3.185   3.185
   93    HB   ILE  13           HB       ILE  13  -1.806   2.527   2.527
   94   1HG1  ILE  13          2HG1      ILE  13  -0.557   4.372   4.372
   95   2HG1  ILE  13          3HG1      ILE  13  -1.076   5.465   5.465
   96   1HG2  ILE  13          2HG2      ILE  13  -4.102   4.091   4.091
   97   2HG2  ILE  13          3HG2      ILE  13  -2.817   4.597   4.597
   98   3HG2  ILE  13          1HG2      ILE  13  -3.293   2.884   2.884
   99   1HD1  ILE  13          1HD1      ILE  13   0.211   2.861   2.861
  100   2HD1  ILE  13          2HD1      ILE  13   1.245   4.167   4.167
  101   3HD1  ILE  13          3HD1      ILE  13   0.245   4.443   4.443
  102    H    CYS  14           H        CYS  14  -1.579   1.539   1.539
  103    HA   CYS  14           HA       CYS  14  -0.099   2.658   2.658
  104   1HB   CYS  14          2HB       CYS  14  -2.015   0.465   0.465
  105   2HB   CYS  14          1HB       CYS  14  -0.449  -0.050  -0.050
  106    H    LYS  15           H        LYS  15   2.003   2.723   2.723
  107    HA   LYS  15           HA       LYS  15   2.885   0.481   0.481
  108   1HB   LYS  15          2HB       LYS  15   4.291   1.909   1.909
  109   2HB   LYS  15          1HB       LYS  15   2.966   2.993   2.993
  110   1HG   LYS  15          2HG       LYS  15   4.201   3.746   3.746
  111   2HG   LYS  15          1HG       LYS  15   5.543   2.714   2.714
  112   1HD   LYS  15          2HD       LYS  15   4.521   4.682   4.682
  113   2HD   LYS  15          1HD       LYS  15   5.462   5.305   5.305
  114   1HE   LYS  15          2HE       LYS  15   7.063   4.829   4.829
  115   2HE   LYS  15          1HE       LYS  15   7.235   3.524   3.524
  116   1HZ   LYS  15          1HZ       LYS  15   5.285   3.029   3.029
  117   2HZ   LYS  15          2HZ       LYS  15   6.822   3.131   3.131
  118    H    TYR  16           H        TYR  16   4.411  -0.925  -0.925
  119    HA   TYR  16           HA       TYR  16   6.238  -0.160  -0.160
  120   1HB   TYR  16          2HB       TYR  16   5.293  -1.986  -1.986
  121   2HB   TYR  16          1HB       TYR  16   4.235  -0.601  -0.601
  122    HD1  TYR  16           HD1      TYR  16   2.478  -0.821  -0.821
  123    HD2  TYR  16           HD2      TYR  16   4.357  -4.101  -4.101
  124    HE1  TYR  16           HE1      TYR  16   0.595  -2.361  -2.361
  125    HE2  TYR  16           HE2      TYR  16   2.467  -5.630  -5.630
  126    HH   TYR  16           HH       TYR  16  -0.397  -4.352  -4.352
  127    H    LYS  17           H        LYS  17   7.766  -1.951  -1.951
  128    HA   LYS  17           HA       LYS  17   8.134  -3.577  -3.577
  129   1HB   LYS  17          2HB       LYS  17   9.910  -2.152  -2.152
  130   2HB   LYS  17          1HB       LYS  17   9.983  -3.536  -3.536
  131   1HG   LYS  17          2HG       LYS  17  10.052  -4.224  -4.224
  132   2HG   LYS  17          1HG       LYS  17  11.424  -3.284  -3.284
  133   1HD   LYS  17          2HD       LYS  17  11.787  -4.942  -4.942
  134   2HD   LYS  17          1HD       LYS  17  10.447  -5.895  -5.895
  135   1HE   LYS  17          2HE       LYS  17  11.753  -5.885  -5.885
  136   2HE   LYS  17          1HE       LYS  17  13.130  -5.370  -5.370
  137   1HZ   LYS  17          1HZ       LYS  17  12.593  -7.914  -7.914
  138   2HZ   LYS  17          2HZ       LYS  17  13.221  -7.392  -7.392
  139    H    ALA  18           H        ALA  18   7.069  -5.478  -5.478
  140    HA   ALA  18           HA       ALA  18   5.862  -6.756  -6.756
  141   1HB   ALA  18          3HB       ALA  18   5.575  -7.027  -7.027
  142   2HB   ALA  18          1HB       ALA  18   6.925  -8.183  -8.183
  143   3HB   ALA  18          2HB       ALA  18   5.421  -8.486  -8.486
  144    H    GLN  19           H        GLN  19   6.405  -8.942  -8.942
  145    HA   GLN  19           HA       GLN  19   8.851  -8.823  -8.823
  146   1HB   GLN  19          2HB       GLN  19   6.509 -10.461 -10.461
  147   2HB   GLN  19          1HB       GLN  19   7.872 -11.553 -11.553
  148   1HG   GLN  19          2HG       GLN  19   8.917  -9.931  -9.931
  149   2HG   GLN  19          1HG       GLN  19   7.226  -9.613  -9.613
  150   1HE2  GLN  19          2HE2      GLN  19   8.718 -13.470 -13.470
  151   2HE2  GLN  19          1HE2      GLN  19   9.354 -12.367 -12.367
  152    H    SER  20           H        SER  20   7.941 -10.057 -10.057
  153    HA   SER  20           HA       SER  20  10.640 -11.130 -11.130
  154   1HB   SER  20          2HB       SER  20   9.310 -12.545 -12.545
  155   2HB   SER  20          1HB       SER  20   9.583 -13.136 -13.136
  156    HG   SER  20           HG       SER  20   7.294 -13.175 -13.175
  157    H    GLY  21           H        GLY  21   8.967  -8.502  -8.502
  158   1HA   GLY  21          1HA       GLY  21   9.237  -6.868  -6.868
  159   2HA   GLY  21          2HA       GLY  21  10.371  -7.883  -7.883
  160    H    LYS  22           H        LYS  22   7.575  -9.722  -9.722
  161    HA   LYS  22           HA       LYS  22   6.882  -9.668  -9.668
  162   1HB   LYS  22          2HB       LYS  22   6.718 -11.630 -11.630
  163   2HB   LYS  22          1HB       LYS  22   5.316 -10.864 -10.864
  164   1HG   LYS  22          2HG       LYS  22   4.473 -10.705 -10.705
  165   2HG   LYS  22          1HG       LYS  22   5.635 -11.989 -11.989
  166   1HD   LYS  22          2HD       LYS  22   4.367 -12.904 -12.904
  167   2HD   LYS  22          1HD       LYS  22   3.054 -12.046 -12.046
  168   1HE   LYS  22          2HE       LYS  22   3.588 -13.325 -13.325
  169   2HE   LYS  22          1HE       LYS  22   4.756 -14.264 -14.264
  170   1HZ   LYS  22          1HZ       LYS  22   3.063 -15.550 -15.550
  171   2HZ   LYS  22          2HZ       LYS  22   2.366 -14.298 -14.298
  172    H    THR  23           H        THR  23   4.891  -8.810  -8.810
  173    HA   THR  23           HA       THR  23   2.864  -7.557  -7.557
  174    HB   THR  23           HB       THR  23   3.615  -8.081  -8.081
  175    HG1  THR  23          1HG       THR  23   1.473  -6.558  -6.558
  176   1HG2  THR  23          1HG2      THR  23   4.391  -5.469  -5.469
  177   2HG2  THR  23          2HG2      THR  23   2.652  -5.240  -5.240
  178   3HG2  THR  23          3HG2      THR  23   3.661  -6.087  -6.087
  179    H    ALA  24           H        ALA  24   2.473  -4.987  -4.987
  180    HA   ALA  24           HA       ALA  24   4.610  -3.256  -3.256
  181   1HB   ALA  24          1HB       ALA  24   4.197  -4.605  -4.605
  182   2HB   ALA  24          2HB       ALA  24   3.353  -3.055  -3.055
  183   3HB   ALA  24          3HB       ALA  24   5.078  -3.073  -3.073
  184    H    ILE  25           H        ILE  25   3.197  -1.324  -1.324
  185    HA   ILE  25           HA       ILE  25   1.667  -0.031  -0.031
  186    HB   ILE  25           HB       ILE  25   1.166   0.107   0.107
  187   1HG1  ILE  25          2HG1      ILE  25   3.609   0.859   0.859
  188   2HG1  ILE  25          3HG1      ILE  25   3.469   0.185   0.185
  189   1HG2  ILE  25          1HG2      ILE  25  -0.019   1.473   1.473
  190   2HG2  ILE  25          2HG2      ILE  25   1.365   2.537   2.537
  191   3HG2  ILE  25          3HG2      ILE  25   0.221   2.114   2.114
  192   1HD1  ILE  25          2HD1      ILE  25   2.237   2.515   2.515
  193   2HD1  ILE  25          3HD1      ILE  25   3.196   3.045   3.045
  194   3HD1  ILE  25          1HD1      ILE  25   4.011   2.380   2.380
  195    H    CYS  26           H        CYS  26  -0.429  -0.091  -0.091
  196    HA   CYS  26           HA       CYS  26  -2.262  -1.857  -1.857
  197   1HB   CYS  26          2HB       CYS  26  -1.140  -3.157  -3.157
  198   2HB   CYS  26          1HB       CYS  26  -1.810  -2.033  -2.033
  199    H    LYS  27           H        LYS  27  -3.871  -0.414  -0.414
  200    HA   LYS  27           HA       LYS  27  -4.319   2.045   2.045
  201   1HB   LYS  27          2HB       LYS  27  -6.859   1.408   1.408
  202   2HB   LYS  27          1HB       LYS  27  -5.694   1.521   1.521
  203   1HG   LYS  27          2HG       LYS  27  -5.694  -0.748  -0.748
  204   2HG   LYS  27          1HG       LYS  27  -5.780  -1.145  -1.145
  205   1HD   LYS  27          2HD       LYS  27  -7.874  -1.857  -1.857
  206   2HD   LYS  27          1HD       LYS  27  -8.231  -0.377  -0.377
  207   1HE   LYS  27          2HE       LYS  27  -8.461   0.897   0.897
  208   2HE   LYS  27          1HE       LYS  27  -7.509  -0.224  -0.224
  209   1HZ   LYS  27          1HZ       LYS  27  -9.355  -1.401  -1.401
  210   2HZ   LYS  27          2HZ       LYS  27  -9.827  -1.497  -1.497
  211    H    CYS  28           H        CYS  28  -5.559   3.116   3.116
  212    HA   CYS  28           HA       CYS  28  -5.298   1.997   1.997
  213   1HB   CYS  28          2HB       CYS  28  -5.705   4.483   4.483
  214   2HB   CYS  28          1HB       CYS  28  -7.342   4.115   4.115
  215    H    TYR  29           H        TYR  29  -7.982   2.738   2.738
  216    HA   TYR  29           HA       TYR  29 -10.031   1.328   1.328
  217   1HB   TYR  29          2HB       TYR  29  -8.254  -0.500  -0.500
  218   2HB   TYR  29          1HB       TYR  29  -8.660  -0.117  -0.117
  219    HD1  TYR  29           HD2      TYR  29 -11.648   0.353   0.353
  220    HD2  TYR  29           HD1      TYR  29  -9.009  -2.807  -2.807
  221    HE1  TYR  29           HE2      TYR  29 -13.577  -1.301  -1.301
  222    HE2  TYR  29           HE1      TYR  29 -10.947  -4.450  -4.450
  223    HH   TYR  29           HH       TYR  29 -13.016  -4.754  -4.754
  224    H    VAL  30           H        VAL  30 -11.425   2.925   2.925
  225    HA   VAL  30           HA       VAL  30 -12.789   3.971   3.971
  226    HB   VAL  30           HB       VAL  30 -11.977   2.324   2.324
  227   1HG1  VAL  30          2HG1      VAL  30 -14.365   3.744   3.744
  228   2HG1  VAL  30          3HG1      VAL  30 -14.692   2.169   2.169
  229   3HG1  VAL  30          1HG1      VAL  30 -13.828   3.435   3.435
  230   1HG2  VAL  30          2HG2      VAL  30 -13.022   1.235   1.235
  231   2HG2  VAL  30          3HG2      VAL  30 -11.919   0.503   0.503
  232   3HG2  VAL  30          1HG2      VAL  30 -13.666   0.572   0.572
  233    H    LYS  31           H        LYS  31 -10.112   3.025   3.025
  234    HA   LYS  31           HA       LYS  31  -9.962   5.674   5.674
  235   1HB   LYS  31          2HB       LYS  31  -9.117   3.105   3.105
  236   2HB   LYS  31          1HB       LYS  31  -7.645   4.034   4.034
  237   1HG   LYS  31          2HG       LYS  31  -9.302   5.860   5.860
  238   2HG   LYS  31          1HG       LYS  31  -9.822   4.344   4.344
  239   1HD   LYS  31          2HD       LYS  31  -7.337   3.818   3.818
  240   2HD   LYS  31          1HD       LYS  31  -6.987   5.470   5.470
  241   1HE   LYS  31          2HE       LYS  31  -7.176   5.475   5.475
  242   2HE   LYS  31          1HE       LYS  31  -8.624   6.252   6.252
  243   1HZ   LYS  31          1HZ       LYS  31  -8.365   3.645   3.645
  244   2HZ   LYS  31          2HZ       LYS  31  -9.578   4.727   4.727
  245    H    LYS  32           H        LYS  32  -9.792   6.640   6.640
  246    HA   LYS  32           HA       LYS  32  -7.765   6.347   6.347
  247   1HB   LYS  32          2HB       LYS  32  -9.466   7.891   7.891
  248   2HB   LYS  32          1HB       LYS  32  -9.210   8.813   8.813
  249   1HG   LYS  32          2HG       LYS  32  -6.855   9.360   9.360
  250   2HG   LYS  32          1HG       LYS  32  -7.355   8.654   8.654
  251   1HD   LYS  32          2HD       LYS  32  -7.641  11.174  11.174
  252   2HD   LYS  32          1HD       LYS  32  -9.098  10.304  10.304
  253   1HE   LYS  32          2HE       LYS  32 -10.088  10.619  10.619
  254   2HE   LYS  32          1HE       LYS  32  -8.549  10.923  10.923
  255   1HZ   LYS  32          1HZ       LYS  32  -9.248  12.809  12.809
  256   2HZ   LYS  32          2HZ       LYS  32 -10.203  12.873  12.873
  257    H    CYS  33           H        CYS  33  -5.666   7.383   7.383
  258    HA   CYS  33           HA       CYS  33  -4.063   7.166   7.166
  259   1HB   CYS  33          2HB       CYS  33  -2.929   6.665   6.665
  260   2HB   CYS  33          1HB       CYS  33  -3.655   7.970   7.970
  261    HA   PRO  34           HA       PRO  34  -4.441  11.238  11.238
  262   1HB   PRO  34          2HB       PRO  34  -2.241  11.375  11.375
  263   2HB   PRO  34          1HB       PRO  34  -3.738  10.600  10.600
  264   1HG   PRO  34          2HG       PRO  34  -1.186   9.353   9.353
  265   2HG   PRO  34          1HG       PRO  34  -2.526   8.639   8.639
  266   1HD   PRO  34          2HD       PRO  34  -1.885   8.254   8.254
  267   2HD   PRO  34          1HD       PRO  34  -3.288   7.634   7.634
  268    H    ARG  35           H        ARG  35  -1.214  10.394  10.394
  269    HA   ARG  35           HA       ARG  35  -1.231  12.452  12.452
  270   1HB   ARG  35          2HB       ARG  35   0.494  13.967  13.967
  271   2HB   ARG  35          1HB       ARG  35  -0.994  13.970  13.970
  272   1HG   ARG  35          2HG       ARG  35   0.301  11.937  11.937
  273   2HG   ARG  35          1HG       ARG  35   1.693  12.846  12.846
  274   1HD   ARG  35          2HD       ARG  35   0.029  14.861  14.861
  275   2HD   ARG  35          1HD       ARG  35  -0.298  13.539  13.539
  276    HE   ARG  35           HE       ARG  35   1.894  13.698  13.698
  277   1HH1  ARG  35          2HH2      ARG  35   1.642  15.571  15.571
  278   2HH1  ARG  35          1HH2      ARG  35   3.199  16.308  16.308
  279    HH2  ARG  35          1HH       ARG  35   4.537  15.764  15.764
  280    H    ASP  36           H        ASP  36   0.608  12.260  12.260
  281    HA   ASP  36           HA       ASP  36   1.749   9.921   9.921
  282   1HB   ASP  36          2HB       ASP  36   2.151  11.609  11.609
  283   2HB   ASP  36          1HB       ASP  36   2.852  12.707  12.707
  284    HD2  ASP  36          2HD       ASP  36   4.926  10.591  10.591
  285    H    GLY  37           H        GLY  37   3.520   8.716   8.716
  286   1HA   GLY  37          1HA       GLY  37   5.513   8.460   8.460
  287   2HA   GLY  37          2HA       GLY  37   5.291  10.023  10.023
  288    H    ALA  38           H        ALA  38   2.320   9.304   9.304
  289    HA   ALA  38           HA       ALA  38   2.468   8.634   8.634
  290   1HB   ALA  38          3HB       ALA  38   0.321   7.954   7.954
  291   2HB   ALA  38          1HB       ALA  38   0.093   7.869   7.869
  292   3HB   ALA  38          2HB       ALA  38   0.435   9.432   9.432
  293    H    LYS  39           H        LYS  39   3.274   6.915   6.915
  294    HA   LYS  39           HA       LYS  39   4.094   4.592   4.592
  295   1HB   LYS  39          2HB       LYS  39   5.089   5.518   5.518
  296   2HB   LYS  39          1HB       LYS  39   3.651   5.042   5.042
  297   1HG   LYS  39          2HG       LYS  39   4.165   2.657   2.657
  298   2HG   LYS  39          1HG       LYS  39   5.791   3.303   3.303
  299   1HD   LYS  39          2HD       LYS  39   5.398   2.019   2.019
  300   2HD   LYS  39          1HD       LYS  39   5.846   3.685   3.685
  301   1HE   LYS  39          2HE       LYS  39   2.925   3.353   3.353
  302   2HE   LYS  39          1HE       LYS  39   3.577   2.370   2.370
  303   1HZ   LYS  39          1HZ       LYS  39   2.983   4.689   4.689
  304   2HZ   LYS  39          2HZ       LYS  39   4.535   4.321   4.321
  305    H    CYS  40           H        CYS  40   3.266   2.433   2.433
  306    HA   CYS  40           HA       CYS  40   0.650   2.041   2.041
  307   1HB   CYS  40          2HB       CYS  40  -0.166   1.146   1.146
  308   2HB   CYS  40          1HB       CYS  40  -0.264   2.861   2.861
  309    H    GLU  41           H        GLU  41   0.215  -0.247  -0.247
  310    HA   GLU  41           HA       GLU  41   2.518  -1.891  -1.891
  311   1HB   GLU  41          2HB       GLU  41   0.776  -2.838  -2.838
  312   2HB   GLU  41          1HB       GLU  41   2.523  -2.846  -2.846
  313   1HG   GLU  41          2HG       GLU  41   0.751  -0.470  -0.470
  314   2HG   GLU  41          1HG       GLU  41   1.893  -1.288  -1.288
  315    HE2  GLU  41          2HE       GLU  41   2.405   1.745   1.745
  316    H    PHE  42           H        PHE  42   2.138  -3.708  -3.708
  317    HA   PHE  42           HA       PHE  42  -0.600  -4.118  -4.118
  318   1HB   PHE  42          2HB       PHE  42   1.297  -3.990  -3.990
  319   2HB   PHE  42          1HB       PHE  42   2.149  -5.260  -5.260
  320    HD1  PHE  42          2HD       PHE  42  -1.158  -4.711  -4.711
  321    HD2  PHE  42          1HD       PHE  42   2.043  -7.387  -7.387
  322    HE1  PHE  42          2HE       PHE  42  -2.236  -6.430  -6.430
  323    HE2  PHE  42          1HE       PHE  42   0.965  -9.105  -9.105
  324    HZ   PHE  42           HZ       PHE  42  -1.162  -8.607  -8.607
  325    H    ASP  43           H        ASP  43  -1.811  -5.347  -5.347
  326    HA   ASP  43           HA       ASP  43  -0.649  -7.305  -7.305
  327   1HB   ASP  43          2HB       ASP  43  -3.026  -5.962  -5.962
  328   2HB   ASP  43          1HB       ASP  43  -3.562  -7.480  -7.480
  329    HD1  ASP  43          2HD       ASP  43  -1.777  -8.850  -8.850
  330    H    SER  44           H        SER  44  -0.317  -9.517  -9.517
  331    HA   SER  44           HA       SER  44  -1.065 -10.383 -10.383
  332   1HB   SER  44          2HB       SER  44   0.666 -11.974 -11.974
  333   2HB   SER  44          1HB       SER  44   1.311 -10.600 -10.600
  334    HG   SER  44           HG       SER  44   0.050 -12.939 -12.939
  335    H    TYR  45           H        TYR  45  -2.395 -10.375 -10.375
  336    HA   TYR  45           HA       TYR  45  -3.246 -13.084 -13.084
  337   1HB   TYR  45          2HB       TYR  45  -4.268 -12.199 -12.199
  338   2HB   TYR  45          1HB       TYR  45  -2.991 -11.028 -11.028
  339    HD1  TYR  45           HD1      TYR  45  -4.068  -9.368  -9.368
  340    HD2  TYR  45           HD2      TYR  45  -6.039 -11.025 -11.025
  341    HE1  TYR  45           HE1      TYR  45  -5.798  -7.507  -7.507
  342    HE2  TYR  45           HE2      TYR  45  -7.763  -9.159  -9.159
  343    HH   TYR  45           HH       TYR  45  -8.549  -7.555  -7.555
  344    H    LYS  46           H        LYS  46  -4.139 -10.493 -10.493
  345    HA   LYS  46           HA       LYS  46  -6.532 -11.960 -11.960
  346   1HB   LYS  46          2HB       LYS  46  -6.519  -9.064  -9.064
  347   2HB   LYS  46          1HB       LYS  46  -7.768  -9.728  -9.728
  348   1HG   LYS  46          2HG       LYS  46  -7.791 -11.641 -11.641
  349   2HG   LYS  46          1HG       LYS  46  -7.182 -10.314 -10.314
  350   1HD   LYS  46          2HD       LYS  46  -9.129  -8.901  -8.901
  351   2HD   LYS  46          1HD       LYS  46  -9.750 -10.274 -10.274
  352   1HE   LYS  46          2HE       LYS  46  -9.185 -11.170 -11.170
  353   2HE   LYS  46          1HE       LYS  46 -10.079  -9.668  -9.668
  354   1HZ   LYS  46          1HZ       LYS  46 -11.697 -10.674 -10.674
  355   2HZ   LYS  46          2HZ       LYS  46 -10.923 -12.099 -12.099
  356    H    GLY  47           H        GLY  47  -4.566  -8.973  -8.973
  357   1HA   GLY  47          1HA       GLY  47  -3.172  -9.092  -9.092
  358   2HA   GLY  47          2HA       GLY  47  -4.546  -9.797  -9.797
  359    H    LYS  48           H        LYS  48  -4.689  -7.131  -7.131
  360    HA   LYS  48           HA       LYS  48  -5.675  -5.410  -5.410
  361   1HB   LYS  48          2HB       LYS  48  -6.634  -5.959  -5.959
  362   2HB   LYS  48          1HB       LYS  48  -6.582  -4.260  -4.260
  363   1HG   LYS  48          2HG       LYS  48  -8.769  -5.282  -5.282
  364   2HG   LYS  48          1HG       LYS  48  -7.933  -4.671  -4.671
  365   1HD   LYS  48          2HD       LYS  48  -8.800  -6.873  -6.873
  366   2HD   LYS  48          1HD       LYS  48  -7.055  -7.000  -7.000
  367   1HE   LYS  48          2HE       LYS  48  -7.145  -8.409  -8.409
  368   2HE   LYS  48          1HE       LYS  48  -8.379  -7.458  -7.458
  369   1HZ   LYS  48          1HZ       LYS  48  -8.761  -9.580  -9.580
  370   2HZ   LYS  48          2HZ       LYS  48  -9.486  -9.419  -9.419
  371    H    CYS  49           H        CYS  49  -5.448  -2.929  -2.929
  372    HA   CYS  49           HA       CYS  49  -2.630  -2.727  -2.727
  373   1HB   CYS  49          2HB       CYS  49  -3.207  -0.364  -0.364
  374   2HB   CYS  49          1HB       CYS  49  -2.278  -1.709  -1.709
  375    H    TYR  50           H        TYR  50  -3.000  -2.417  -2.417
  376    HA   TYR  50           HA       TYR  50  -5.099  -0.829  -0.829
  377   1HB   TYR  50          2HB       TYR  50  -2.536  -2.177  -2.177
  378   2HB   TYR  50          1HB       TYR  50  -3.082  -0.890  -0.890
  379    HD1  TYR  50           HD2      TYR  50  -4.034  -4.166  -4.166
  380    HD2  TYR  50           HD1      TYR  50  -4.930  -1.201  -1.201
  381    HE1  TYR  50           HE2      TYR  50  -5.651  -5.769  -5.769
  382    HE2  TYR  50           HE1      TYR  50  -6.544  -2.815  -2.815
  383    HH   TYR  50           HH       TYR  50  -7.050  -6.073  -6.073
  384    H    CYS  51           H        CYS  51  -4.812   1.087   1.087
  385    HA   CYS  51           HA       CYS  51  -2.514   2.723   2.723
  386   1HB   CYS  51          2HB       CYS  51  -4.886   3.738   3.738
  387   2HB   CYS  51          1HB       CYS  51  -3.180   4.046   4.046

  Start of MODEL    8
    1    H    ALA   1           H        ALA   1   2.750 -11.402 -11.402
    2    HA   ALA   1           HA       ALA   1   4.419 -10.814 -10.814
    3   1HB   ALA   1          1HB       ALA   1   2.204 -12.412 -12.412
    4   2HB   ALA   1          2HB       ALA   1   3.220 -11.670 -11.670
    5   3HB   ALA   1          3HB       ALA   1   3.957 -12.722 -12.722
    6    H    THR   2           H        THR   2   2.052  -8.688  -8.688
    7    HA   THR   2           HA       THR   2   1.681  -7.385  -7.385
    8    HB   THR   2           HB       THR   2   2.038  -5.904  -5.904
    9    HG1  THR   2          1HG       THR   2   0.313  -7.115  -7.115
   10   1HG2  THR   2          2HG2      THR   2   0.868  -5.199  -5.199
   11   2HG2  THR   2          3HG2      THR   2  -0.519  -5.886  -5.886
   12   3HG2  THR   2          1HG2      THR   2   0.389  -4.522  -4.522
   13    H    TYR   3           H        TYR   3   2.737  -5.817  -5.817
   14    HA   TYR   3           HA       TYR   3   5.598  -5.679  -5.679
   15   1HB   TYR   3          2HB       TYR   3   3.808  -4.779  -4.779
   16   2HB   TYR   3          1HB       TYR   3   5.560  -4.817  -4.817
   17    HD1  TYR   3           HD1      TYR   3   5.429  -7.586  -7.586
   18    HD2  TYR   3           HD2      TYR   3   3.839  -6.194  -6.194
   19    HE1  TYR   3           HE1      TYR   3   5.351  -9.974  -9.974
   20    HE2  TYR   3           HE2      TYR   3   3.767  -8.586  -8.586
   21    HH   TYR   3           HH       TYR   3   4.013 -10.681 -10.681
   22    H    ASN   4           H        ASN   4   6.227  -3.304  -3.304
   23    HA   ASN   4           HA       ASN   4   4.667  -1.245  -1.245
   24   1HB   ASN   4          2HB       ASN   4   7.692  -1.277  -1.277
   25   2HB   ASN   4          1HB       ASN   4   6.520  -0.253  -0.253
   26   1HD2  ASN   4          2HD2      ASN   4   5.219  -2.877  -2.877
   27   2HD2  ASN   4          1HD2      ASN   4   4.695  -1.585  -1.585
   28    H    GLY   5           H        GLY   5   4.704   0.646   0.646
   29   1HA   GLY   5          1HA       GLY   5   6.878   1.172   1.172
   30   2HA   GLY   5          2HA       GLY   5   5.435   0.589   0.589
   31    H    LYS   6           H        LYS   6   4.692   2.456   2.456
   32    HA   LYS   6           HA       LYS   6   3.730   4.521   4.521
   33   1HB   LYS   6          2HB       LYS   6   5.387   5.165   5.165
   34   2HB   LYS   6          1HB       LYS   6   4.639   6.317   6.317
   35   1HG   LYS   6          2HG       LYS   6   6.047   5.558   5.558
   36   2HG   LYS   6          1HG       LYS   6   6.702   4.253   4.253
   37   1HD   LYS   6          2HD       LYS   6   7.821   5.822   5.822
   38   2HD   LYS   6          1HD       LYS   6   6.997   7.189   7.189
   39   1HE   LYS   6          2HE       LYS   6   8.415   5.615   5.615
   40   2HE   LYS   6          1HE       LYS   6   9.506   6.131   6.131
   41   1HZ   LYS   6          1HZ       LYS   6   7.750   8.248   8.248
   42   2HZ   LYS   6          2HZ       LYS   6   8.585   7.701   7.701
   43    H    CYS   7           H        CYS   7   2.155   6.014   6.014
   44    HA   CYS   7           HA       CYS   7   0.948   4.641   4.641
   45   1HB   CYS   7          2HB       CYS   7  -1.317   5.227   5.227
   46   2HB   CYS   7          1HB       CYS   7  -0.470   3.761   3.761
   47    H    TYR   8           H        TYR   8  -0.494   6.144   6.144
   48    HA   TYR   8           HA       TYR   8   0.257   8.947   8.947
   49   1HB   TYR   8          2HB       TYR   8  -0.438   7.356   7.356
   50   2HB   TYR   8          1HB       TYR   8  -0.051   9.065   9.065
   51    HD1  TYR   8           HD1      TYR   8   2.297   9.444   9.444
   52    HD2  TYR   8           HD2      TYR   8   1.262   6.058   6.058
   53    HE1  TYR   8           HE1      TYR   8   4.760   8.881   8.881
   54    HE2  TYR   8           HE2      TYR   8   3.729   5.507   5.507
   55    HH   TYR   8           HH       TYR   8   5.889   6.843   6.843
   56    H    LYS   9           H        LYS   9  -1.353  10.499  10.499
   57    HA   LYS   9           HA       LYS   9  -4.026   9.507   9.507
   58   1HB   LYS   9          2HB       LYS   9  -4.558  11.803  11.803
   59   2HB   LYS   9          1HB       LYS   9  -3.164  11.212  11.212
   60   1HG   LYS   9          2HG       LYS   9  -2.336  13.278  13.278
   61   2HG   LYS   9          1HG       LYS   9  -1.806  12.310  12.310
   62   1HD   LYS   9          2HD       LYS   9  -2.863  13.993  13.993
   63   2HD   LYS   9          1HD       LYS   9  -4.247  12.944  12.944
   64   1HE   LYS   9          2HE       LYS   9  -5.303  14.490  14.490
   65   2HE   LYS   9          1HE       LYS   9  -3.905  14.667  14.667
   66   1HZ   LYS   9          1HZ       LYS   9  -4.744  16.606  16.606
   67   2HZ   LYS   9          2HZ       LYS   9  -3.181  16.468  16.468
   68    H    LYS  10           H        LYS  10  -2.235  11.682  11.682
   69    HA   LYS  10           HA       LYS  10  -4.369  12.316  12.316
   70   1HB   LYS  10          2HB       LYS  10  -1.727  12.948  12.948
   71   2HB   LYS  10          1HB       LYS  10  -1.745  11.904  11.904
   72   1HG   LYS  10          2HG       LYS  10  -3.396  13.268  13.268
   73   2HG   LYS  10          1HG       LYS  10  -3.772  14.151  14.151
   74   1HD   LYS  10          2HD       LYS  10  -1.194  14.811  14.811
   75   2HD   LYS  10          1HD       LYS  10  -1.319  14.368  14.368
   76   1HE   LYS  10          2HE       LYS  10  -3.066  16.018  16.018
   77   2HE   LYS  10          1HE       LYS  10  -3.258  16.318  16.318
   78   1HZ   LYS  10          1HZ       LYS  10  -1.196  17.304  17.304
   79   2HZ   LYS  10          2HZ       LYS  10  -1.816  18.001  18.001
   80    H    ASP  11           H        ASP  11  -2.173   9.453   9.453
   81    HA   ASP  11           HA       ASP  11  -3.658   8.399   8.399
   82   1HB   ASP  11          2HB       ASP  11  -1.147   7.699   7.699
   83   2HB   ASP  11          1HB       ASP  11  -1.991   6.368   6.368
   84    HD2  ASP  11          2HD       ASP  11   0.248   9.006   9.006
   85    H    ASN  12           H        ASN  12  -3.737   8.445   8.445
   86    HA   ASN  12           HA       ASN  12  -4.696   7.253   7.253
   87   1HB   ASN  12          2HB       ASN  12  -6.772   7.979   7.979
   88   2HB   ASN  12          1HB       ASN  12  -6.620   6.845   6.845
   89   1HD2  ASN  12          2HD2      ASN  12  -7.222   5.044   5.044
   90   2HD2  ASN  12          1HD2      ASN  12  -5.951   6.188   6.188
   91    H    ILE  13           H        ILE  13  -2.570   5.802   5.802
   92    HA   ILE  13           HA       ILE  13  -3.608   3.072   3.072
   93    HB   ILE  13           HB       ILE  13  -1.880   2.439   2.439
   94   1HG1  ILE  13          2HG1      ILE  13  -0.910   4.336   4.336
   95   2HG1  ILE  13          3HG1      ILE  13  -1.368   5.418   5.418
   96   1HG2  ILE  13          2HG2      ILE  13  -4.344   3.707   3.707
   97   2HG2  ILE  13          3HG2      ILE  13  -3.217   4.371   4.371
   98   3HG2  ILE  13          1HG2      ILE  13  -3.455   2.612   2.612
   99   1HD1  ILE  13          1HD1      ILE  13   0.025   3.031   3.031
  100   2HD1  ILE  13          2HD1      ILE  13   1.008   3.950   3.950
  101   3HD1  ILE  13          3HD1      ILE  13   0.372   4.753   4.753
  102    H    CYS  14           H        CYS  14  -1.569   1.522   1.522
  103    HA   CYS  14           HA       CYS  14   0.106   2.836   2.836
  104   1HB   CYS  14          2HB       CYS  14  -1.350   1.764   1.764
  105   2HB   CYS  14          1HB       CYS  14  -1.647   0.440   0.440
  106    H    LYS  15           H        LYS  15   2.254   2.518   2.518
  107    HA   LYS  15           HA       LYS  15   2.882   0.208   0.208
  108   1HB   LYS  15          2HB       LYS  15   4.427   1.475   1.475
  109   2HB   LYS  15          1HB       LYS  15   3.085   2.581   2.581
  110   1HG   LYS  15          2HG       LYS  15   4.202   3.732   3.732
  111   2HG   LYS  15          1HG       LYS  15   5.442   2.498   2.498
  112   1HD   LYS  15          2HD       LYS  15   5.731   3.221   3.221
  113   2HD   LYS  15          1HD       LYS  15   5.151   4.737   4.737
  114   1HE   LYS  15          2HE       LYS  15   7.635   4.614   4.614
  115   2HE   LYS  15          1HE       LYS  15   6.959   4.745   4.745
  116   1HZ   LYS  15          1HZ       LYS  15   8.580   2.691   2.691
  117   2HZ   LYS  15          2HZ       LYS  15   7.943   2.807   2.807
  118    H    TYR  16           H        TYR  16   4.530  -1.164  -1.164
  119    HA   TYR  16           HA       TYR  16   6.321  -0.386  -0.386
  120   1HB   TYR  16          2HB       TYR  16   5.448  -2.365  -2.365
  121   2HB   TYR  16          1HB       TYR  16   4.353  -0.999  -0.999
  122    HD1  TYR  16           HD1      TYR  16   2.617  -1.129  -1.129
  123    HD2  TYR  16           HD2      TYR  16   4.559  -4.483  -4.483
  124    HE1  TYR  16           HE1      TYR  16   0.777  -2.663  -2.663
  125    HE2  TYR  16           HE2      TYR  16   2.713  -6.006  -6.006
  126    HH   TYR  16           HH       TYR  16   0.921  -6.161  -6.161
  127    H    LYS  17           H        LYS  17   7.911  -2.151  -2.151
  128    HA   LYS  17           HA       LYS  17   8.394  -3.639  -3.639
  129   1HB   LYS  17          2HB       LYS  17  10.008  -2.533  -2.533
  130   2HB   LYS  17          1HB       LYS  17  10.511  -4.134  -4.134
  131   1HG   LYS  17          2HG       LYS  17  10.631  -3.372  -3.372
  132   2HG   LYS  17          1HG       LYS  17  10.069  -1.780  -1.780
  133   1HD   LYS  17          2HD       LYS  17  12.307  -2.441  -2.441
  134   2HD   LYS  17          1HD       LYS  17  12.767  -2.814  -2.814
  135   1HE   LYS  17          2HE       LYS  17  11.871  -0.481  -0.481
  136   2HE   LYS  17          1HE       LYS  17  11.750  -0.143  -0.143
  137   1HZ   LYS  17          1HZ       LYS  17  14.195  -0.820  -0.820
  138   2HZ   LYS  17          2HZ       LYS  17  14.213  -0.722  -0.722
  139    H    ALA  18           H        ALA  18   7.221  -5.499  -5.499
  140    HA   ALA  18           HA       ALA  18   6.151  -6.941  -6.941
  141   1HB   ALA  18          3HB       ALA  18   5.979  -7.145  -7.145
  142   2HB   ALA  18          1HB       ALA  18   7.329  -8.294  -8.294
  143   3HB   ALA  18          2HB       ALA  18   5.785  -8.612  -8.612
  144    H    GLN  19           H        GLN  19   6.783  -9.093  -9.093
  145    HA   GLN  19           HA       GLN  19   9.174  -8.897  -8.897
  146   1HB   GLN  19          2HB       GLN  19   6.939 -10.635 -10.635
  147   2HB   GLN  19          1HB       GLN  19   8.320 -11.679 -11.679
  148   1HG   GLN  19          2HG       GLN  19   9.451 -10.479 -10.479
  149   2HG   GLN  19          1HG       GLN  19   7.893  -9.747  -9.747
  150   1HE2  GLN  19          2HE2      GLN  19   7.039 -12.408 -12.408
  151   2HE2  GLN  19          1HE2      GLN  19   7.243 -10.705 -10.705
  152    H    SER  20           H        SER  20   8.420 -10.175 -10.175
  153    HA   SER  20           HA       SER  20  11.213 -10.992 -10.992
  154   1HB   SER  20          2HB       SER  20  10.062 -12.458 -12.458
  155   2HB   SER  20          1HB       SER  20  10.312 -13.065 -13.065
  156    HG   SER  20           HG       SER  20   8.162 -12.685 -12.685
  157    H    GLY  21           H        GLY  21   9.513  -8.431  -8.431
  158   1HA   GLY  21          1HA       GLY  21   9.636  -6.760  -6.760
  159   2HA   GLY  21          2HA       GLY  21  10.883  -7.655  -7.655
  160    H    LYS  22           H        LYS  22   8.134  -9.648  -9.648
  161    HA   LYS  22           HA       LYS  22   7.584  -9.618  -9.618
  162   1HB   LYS  22          2HB       LYS  22   7.467 -11.608 -11.608
  163   2HB   LYS  22          1HB       LYS  22   5.994 -10.936 -10.936
  164   1HG   LYS  22          2HG       LYS  22   5.356 -10.776 -10.776
  165   2HG   LYS  22          1HG       LYS  22   6.483 -12.116 -12.116
  166   1HD   LYS  22          2HD       LYS  22   5.022 -12.919 -12.919
  167   2HD   LYS  22          1HD       LYS  22   3.800 -11.966 -11.966
  168   1HE   LYS  22          2HE       LYS  22   4.715 -13.343 -13.343
  169   2HE   LYS  22          1HE       LYS  22   5.159 -14.496 -14.496
  170   1HZ   LYS  22          1HZ       LYS  22   2.582 -13.698 -13.698
  171   2HZ   LYS  22          2HZ       LYS  22   2.565 -13.911 -13.911
  172    H    THR  23           H        THR  23   5.407  -8.931  -8.931
  173    HA   THR  23           HA       THR  23   3.381  -7.770  -7.770
  174    HB   THR  23           HB       THR  23   3.989  -8.337  -8.337
  175    HG1  THR  23          1HG       THR  23   1.837  -8.458  -8.458
  176   1HG2  THR  23          1HG2      THR  23   4.695  -5.674  -5.674
  177   2HG2  THR  23          2HG2      THR  23   2.947  -5.538  -5.538
  178   3HG2  THR  23          3HG2      THR  23   3.989  -6.393  -6.393
  179    H    ALA  24           H        ALA  24   2.827  -5.233  -5.233
  180    HA   ALA  24           HA       ALA  24   4.901  -3.404  -3.404
  181   1HB   ALA  24          2HB       ALA  24   4.523  -4.671  -4.671
  182   2HB   ALA  24          3HB       ALA  24   3.612  -3.150  -3.150
  183   3HB   ALA  24          1HB       ALA  24   5.339  -3.112  -3.112
  184    H    ILE  25           H        ILE  25   3.394  -1.462  -1.462
  185    HA   ILE  25           HA       ILE  25   1.812  -0.332  -0.332
  186    HB   ILE  25           HB       ILE  25   1.361  -0.023  -0.023
  187   1HG1  ILE  25          2HG1      ILE  25   3.781   0.531   0.531
  188   2HG1  ILE  25          3HG1      ILE  25   3.586   0.318   0.318
  189   1HG2  ILE  25          1HG2      ILE  25  -0.206   1.144   1.144
  190   2HG2  ILE  25          2HG2      ILE  25   1.162   1.942   1.942
  191   3HG2  ILE  25          3HG2      ILE  25   0.825   2.279   2.279
  192   1HD1  ILE  25          1HD1      ILE  25   2.606   2.622   2.622
  193   2HD1  ILE  25          2HD1      ILE  25   2.884   2.833   2.833
  194   3HD1  ILE  25          3HD1      ILE  25   4.266   2.631   2.631
  195    H    CYS  26           H        CYS  26  -0.295  -0.504  -0.504
  196    HA   CYS  26           HA       CYS  26  -2.046  -2.236  -2.236
  197   1HB   CYS  26          2HB       CYS  26  -1.138  -3.788  -3.788
  198   2HB   CYS  26          1HB       CYS  26  -1.288  -2.668  -2.668
  199    H    LYS  27           H        LYS  27  -3.727  -0.847  -0.847
  200    HA   LYS  27           HA       LYS  27  -4.284   1.536   1.536
  201   1HB   LYS  27          2HB       LYS  27  -6.478  -0.488  -0.488
  202   2HB   LYS  27          1HB       LYS  27  -6.559   1.250   1.250
  203   1HG   LYS  27          2HG       LYS  27  -4.433   0.752   0.752
  204   2HG   LYS  27          1HG       LYS  27  -5.223  -0.807  -0.807
  205   1HD   LYS  27          2HD       LYS  27  -6.283   0.345   0.345
  206   2HD   LYS  27          1HD       LYS  27  -7.412   0.628   0.628
  207   1HE   LYS  27          2HE       LYS  27  -6.370   2.836   2.836
  208   2HE   LYS  27          1HE       LYS  27  -5.170   2.551   2.551
  209   1HZ   LYS  27          1HZ       LYS  27  -7.450   2.167   2.167
  210   2HZ   LYS  27          2HZ       LYS  27  -7.953   3.296   3.296
  211    H    CYS  28           H        CYS  28  -5.482   2.522   2.522
  212    HA   CYS  28           HA       CYS  28  -5.286   1.029   1.029
  213   1HB   CYS  28          2HB       CYS  28  -5.455   3.827   3.827
  214   2HB   CYS  28          1HB       CYS  28  -6.511   3.466   3.466
  215    H    TYR  29           H        TYR  29  -7.491   2.077   2.077
  216    HA   TYR  29           HA       TYR  29  -9.840   1.225   1.225
  217   1HB   TYR  29          2HB       TYR  29  -8.505  -0.492  -0.492
  218   2HB   TYR  29          1HB       TYR  29  -9.354   0.399   0.399
  219    HD1  TYR  29           HD2      TYR  29 -11.683   0.722   0.722
  220    HD2  TYR  29           HD1      TYR  29  -9.816  -2.442  -2.442
  221    HE1  TYR  29           HE2      TYR  29 -13.732  -0.741  -0.741
  222    HE2  TYR  29           HE1      TYR  29 -11.872  -3.894  -3.894
  223    HH   TYR  29           HH       TYR  29 -14.382  -3.388  -3.388
  224    H    VAL  30           H        VAL  30 -11.359   1.184   1.184
  225    HA   VAL  30           HA       VAL  30 -12.359   3.730   3.730
  226    HB   VAL  30           HB       VAL  30 -12.274   1.969   1.969
  227   1HG1  VAL  30          2HG1      VAL  30 -13.424   4.409   4.409
  228   2HG1  VAL  30          3HG1      VAL  30 -14.755   3.350   3.350
  229   3HG1  VAL  30          1HG1      VAL  30 -14.044   3.151   3.151
  230   1HG2  VAL  30          3HG2      VAL  30 -13.422   1.424   1.424
  231   2HG2  VAL  30          1HG2      VAL  30 -13.068   0.318   0.318
  232   3HG2  VAL  30          2HG2      VAL  30 -14.579   1.259   1.259
  233    H    LYS  31           H        LYS  31  -9.466   2.463   2.463
  234    HA   LYS  31           HA       LYS  31  -9.181   4.867   4.867
  235   1HB   LYS  31          2HB       LYS  31  -7.955   2.174   2.174
  236   2HB   LYS  31          1HB       LYS  31  -6.861   3.473   3.473
  237   1HG   LYS  31          2HG       LYS  31  -9.516   3.614   3.614
  238   2HG   LYS  31          1HG       LYS  31  -8.566   2.203   2.203
  239   1HD   LYS  31          2HD       LYS  31  -6.626   3.687   3.687
  240   2HD   LYS  31          1HD       LYS  31  -7.586   5.094   5.094
  241   1HE   LYS  31          2HE       LYS  31  -9.185   4.612   4.612
  242   2HE   LYS  31          1HE       LYS  31  -8.412   3.076   3.076
  243   1HZ   LYS  31          1HZ       LYS  31  -7.004   4.158   4.158
  244   2HZ   LYS  31          2HZ       LYS  31  -6.450   5.082   5.082
  245    H    LYS  32           H        LYS  32  -9.390   5.882   5.882
  246    HA   LYS  32           HA       LYS  32  -7.450   5.850   5.850
  247   1HB   LYS  32          2HB       LYS  32  -9.206   7.265   7.265
  248   2HB   LYS  32          1HB       LYS  32  -9.183   8.027   8.027
  249   1HG   LYS  32          2HG       LYS  32  -7.026   9.159   9.159
  250   2HG   LYS  32          1HG       LYS  32  -7.050   8.398   8.398
  251   1HD   LYS  32          2HD       LYS  32  -8.996  10.467  10.467
  252   2HD   LYS  32          1HD       LYS  32  -7.943  10.621  10.621
  253   1HE   LYS  32          2HE       LYS  32  -9.320   8.493   8.493
  254   2HE   LYS  32          1HE       LYS  32 -10.522   9.067   9.067
  255   1HZ   LYS  32          1HZ       LYS  32 -10.999  10.192  10.192
  256   2HZ   LYS  32          2HZ       LYS  32 -10.188  11.323  11.323
  257    H    CYS  33           H        CYS  33  -5.486   7.108   7.108
  258    HA   CYS  33           HA       CYS  33  -3.764   7.011   7.011
  259   1HB   CYS  33          2HB       CYS  33  -2.789   6.516   6.516
  260   2HB   CYS  33          1HB       CYS  33  -3.487   7.916   7.916
  261    HA   PRO  34           HA       PRO  34  -4.452  11.079  11.079
  262   1HB   PRO  34          2HB       PRO  34  -2.301  11.364  11.364
  263   2HB   PRO  34          1HB       PRO  34  -3.767  10.524  10.524
  264   1HG   PRO  34          2HG       PRO  34  -1.136   9.393   9.393
  265   2HG   PRO  34          1HG       PRO  34  -2.457   8.630   8.630
  266   1HD   PRO  34          2HD       PRO  34  -1.733   8.219   8.219
  267   2HD   PRO  34          1HD       PRO  34  -3.122   7.545   7.545
  268    H    ARG  35           H        ARG  35  -1.149  10.389  10.389
  269    HA   ARG  35           HA       ARG  35  -1.262  12.481  12.481
  270   1HB   ARG  35          2HB       ARG  35   0.523  13.939  13.939
  271   2HB   ARG  35          1HB       ARG  35  -0.961  13.946  13.946
  272   1HG   ARG  35          2HG       ARG  35   0.258  11.882  11.882
  273   2HG   ARG  35          1HG       ARG  35   1.696  12.695  12.695
  274   1HD   ARG  35          2HD       ARG  35   0.199  14.821  14.821
  275   2HD   ARG  35          1HD       ARG  35  -0.206  13.529  13.529
  276    HE   ARG  35           HE       ARG  35   2.015  13.509  13.509
  277   1HH1  ARG  35          2HH2      ARG  35   1.814  15.470  15.470
  278   2HH1  ARG  35          1HH2      ARG  35   3.414  16.111  16.111
  279    HH2  ARG  35          1HH       ARG  35   4.756  15.442  15.442
  280    H    ASP  36           H        ASP  36   0.456  12.256  12.256
  281    HA   ASP  36           HA       ASP  36   1.601   9.963   9.963
  282   1HB   ASP  36          2HB       ASP  36   2.073  11.550  11.550
  283   2HB   ASP  36          1HB       ASP  36   2.529  12.778  12.778
  284    HD1  ASP  36          2HD       ASP  36   5.533  12.442  12.442
  285    H    GLY  37           H        GLY  37   3.327   8.685   8.685
  286   1HA   GLY  37          1HA       GLY  37   5.340   8.326   8.326
  287   2HA   GLY  37          2HA       GLY  37   5.232   9.901   9.901
  288    H    ALA  38           H        ALA  38   2.235   9.292   9.292
  289    HA   ALA  38           HA       ALA  38   2.428   8.678   8.678
  290   1HB   ALA  38          2HB       ALA  38   0.241   8.009   8.009
  291   2HB   ALA  38          3HB       ALA  38   0.036   7.885   7.885
  292   3HB   ALA  38          1HB       ALA  38   0.375   9.465   9.465
  293    H    LYS  39           H        LYS  39   3.188   6.972   6.972
  294    HA   LYS  39           HA       LYS  39   3.938   4.591   4.591
  295   1HB   LYS  39          2HB       LYS  39   5.104   5.538   5.538
  296   2HB   LYS  39          1HB       LYS  39   3.702   5.218   5.218
  297   1HG   LYS  39          2HG       LYS  39   4.668   2.872   2.872
  298   2HG   LYS  39          1HG       LYS  39   5.797   3.457   3.457
  299   1HD   LYS  39          2HD       LYS  39   2.876   3.012   3.012
  300   2HD   LYS  39          1HD       LYS  39   4.005   1.671   1.671
  301   1HE   LYS  39          2HE       LYS  39   4.479   2.289   2.289
  302   2HE   LYS  39          1HE       LYS  39   5.429   3.575   3.575
  303   1HZ   LYS  39          1HZ       LYS  39   3.715   4.331   4.331
  304   2HZ   LYS  39          2HZ       LYS  39   3.581   5.067   5.067
  305    H    CYS  40           H        CYS  40   3.058   2.471   2.471
  306    HA   CYS  40           HA       CYS  40   0.539   2.143   2.143
  307   1HB   CYS  40          2HB       CYS  40  -0.473   1.247   1.247
  308   2HB   CYS  40          1HB       CYS  40  -0.543   2.957   2.957
  309    H    GLU  41           H        GLU  41  -0.105  -0.213  -0.213
  310    HA   GLU  41           HA       GLU  41   2.222  -1.852  -1.852
  311   1HB   GLU  41          2HB       GLU  41   0.240  -2.633  -2.633
  312   2HB   GLU  41          1HB       GLU  41   1.909  -3.133  -3.133
  313   1HG   GLU  41          2HG       GLU  41   2.705  -0.881  -0.881
  314   2HG   GLU  41          1HG       GLU  41   1.062  -0.274  -0.274
  315    HE1  GLU  41          2HE       GLU  41   2.513  -2.354  -2.354
  316    H    PHE  42           H        PHE  42   1.859  -3.820  -3.820
  317    HA   PHE  42           HA       PHE  42  -0.825  -4.048  -4.048
  318   1HB   PHE  42          2HB       PHE  42   1.151  -3.924  -3.924
  319   2HB   PHE  42          1HB       PHE  42   1.946  -5.216  -5.216
  320    HD1  PHE  42          2HD       PHE  42  -1.143  -4.541  -4.541
  321    HD2  PHE  42          1HD       PHE  42   1.758  -7.394  -7.394
  322    HE1  PHE  42          2HE       PHE  42  -2.149  -6.224  -6.224
  323    HE2  PHE  42          1HE       PHE  42   0.753  -9.077  -9.077
  324    HZ   PHE  42           HZ       PHE  42  -1.189  -8.472  -8.472
  325    H    ASP  43           H        ASP  43  -2.139  -5.277  -5.277
  326    HA   ASP  43           HA       ASP  43  -1.179  -7.261  -7.261
  327   1HB   ASP  43          2HB       ASP  43  -3.507  -5.973  -5.973
  328   2HB   ASP  43          1HB       ASP  43  -3.979  -7.334  -7.334
  329    HD2  ASP  43          2HD       ASP  43  -5.281  -8.633  -8.633
  330    H    SER  44           H        SER  44  -0.500  -9.348  -9.348
  331    HA   SER  44           HA       SER  44  -1.020 -10.254 -10.254
  332   1HB   SER  44          2HB       SER  44   0.782 -11.750 -11.750
  333   2HB   SER  44          1HB       SER  44   1.270 -10.333 -10.333
  334    HG   SER  44           HG       SER  44   0.071 -12.739 -12.739
  335    H    TYR  45           H        TYR  45  -3.080 -10.147 -10.147
  336    HA   TYR  45           HA       TYR  45  -3.717 -13.017 -13.017
  337   1HB   TYR  45          2HB       TYR  45  -5.058 -10.886 -10.886
  338   2HB   TYR  45          1HB       TYR  45  -4.628 -12.522 -12.522
  339    HD1  TYR  45           HD1      TYR  45  -1.683 -12.402 -12.402
  340    HD2  TYR  45           HD2      TYR  45  -4.136  -9.708  -9.708
  341    HE1  TYR  45           HE1      TYR  45   0.375 -11.518 -11.518
  342    HE2  TYR  45           HE2      TYR  45  -2.069  -8.833  -8.833
  343    HH   TYR  45           HH       TYR  45   0.366 -10.036 -10.036
  344    H    LYS  46           H        LYS  46  -4.697  -9.818  -9.818
  345    HA   LYS  46           HA       LYS  46  -7.115 -11.046 -11.046
  346   1HB   LYS  46          2HB       LYS  46  -7.121  -8.237  -8.237
  347   2HB   LYS  46          1HB       LYS  46  -8.486  -9.216  -9.216
  348   1HG   LYS  46          2HG       LYS  46  -7.364 -10.855 -10.855
  349   2HG   LYS  46          1HG       LYS  46  -6.937  -9.279  -9.279
  350   1HD   LYS  46          2HD       LYS  46  -9.705  -9.259  -9.259
  351   2HD   LYS  46          1HD       LYS  46  -9.460 -10.590 -10.590
  352   1HE   LYS  46          2HE       LYS  46  -8.393  -7.835  -7.835
  353   2HE   LYS  46          1HE       LYS  46 -10.089  -8.198  -8.198
  354   1HZ   LYS  46          1HZ       LYS  46  -8.572 -10.327 -10.327
  355   2HZ   LYS  46          2HZ       LYS  46  -7.946  -8.947  -8.947
  356    H    GLY  47           H        GLY  47  -4.811  -8.253  -8.253
  357   1HA   GLY  47          1HA       GLY  47  -3.586  -7.951  -7.951
  358   2HA   GLY  47          2HA       GLY  47  -5.078  -8.256  -8.256
  359    H    LYS  48           H        LYS  48  -5.747  -6.547  -6.547
  360    HA   LYS  48           HA       LYS  48  -6.336  -4.178  -4.178
  361   1HB   LYS  48          2HB       LYS  48  -6.919  -5.205  -5.205
  362   2HB   LYS  48          1HB       LYS  48  -7.019  -3.478  -3.478
  363   1HG   LYS  48          2HG       LYS  48  -9.151  -3.955  -3.955
  364   2HG   LYS  48          1HG       LYS  48  -8.370  -4.373  -4.373
  365   1HD   LYS  48          2HD       LYS  48  -9.737  -6.261  -6.261
  366   2HD   LYS  48          1HD       LYS  48  -8.115  -6.765  -6.765
  367   1HE   LYS  48          2HE       LYS  48  -9.326  -7.424  -7.424
  368   2HE   LYS  48          1HE       LYS  48  -8.723  -5.857  -5.857
  369   1HZ   LYS  48          1HZ       LYS  48 -11.353  -6.581  -6.581
  370   2HZ   LYS  48          2HZ       LYS  48 -10.815  -5.050  -5.050
  371    H    CYS  49           H        CYS  49  -5.287  -2.202  -2.202
  372    HA   CYS  49           HA       CYS  49  -2.628  -2.315  -2.315
  373   1HB   CYS  49          2HB       CYS  49  -3.960  -0.250  -0.250
  374   2HB   CYS  49          1HB       CYS  49  -2.293  -0.190  -0.190
  375    H    TYR  50           H        TYR  50  -2.870  -2.042  -2.042
  376    HA   TYR  50           HA       TYR  50  -4.725  -0.344  -0.344
  377   1HB   TYR  50          2HB       TYR  50  -2.055  -1.670  -1.670
  378   2HB   TYR  50          1HB       TYR  50  -2.679  -0.515  -0.515
  379    HD1  TYR  50           HD2      TYR  50  -3.766  -3.557  -3.557
  380    HD2  TYR  50           HD1      TYR  50  -4.097  -1.266  -1.266
  381    HE1  TYR  50           HE2      TYR  50  -5.225  -5.368  -5.368
  382    HE2  TYR  50           HE1      TYR  50  -5.555  -3.085  -3.085
  383    HH   TYR  50           HH       TYR  50  -6.473  -5.933  -5.933
  384    H    CYS  51           H        CYS  51  -4.851   1.787   1.787
  385    HA   CYS  51           HA       CYS  51  -2.339   3.275   3.275
  386   1HB   CYS  51          2HB       CYS  51  -4.709   4.710   4.710
  387   2HB   CYS  51          1HB       CYS  51  -3.143   4.511   4.511

  Start of MODEL    9
    1    H    ALA   1           H        ALA   1   1.572 -10.914 -10.914
    2    HA   ALA   1           HA       ALA   1   4.437 -10.723 -10.723
    3   1HB   ALA   1          1HB       ALA   1   2.510 -12.670 -12.670
    4   2HB   ALA   1          2HB       ALA   1   3.023 -11.668 -11.668
    5   3HB   ALA   1          3HB       ALA   1   4.237 -12.534 -12.534
    6    H    THR   2           H        THR   2   2.792  -8.533  -8.533
    7    HA   THR   2           HA       THR   2   1.788  -7.318  -7.318
    8    HB   THR   2           HB       THR   2   2.198  -5.861  -5.861
    9    HG1  THR   2          1HG       THR   2   1.224  -7.631  -7.631
   10   1HG2  THR   2          2HG2      THR   2   0.619  -5.486  -5.486
   11   2HG2  THR   2          3HG2      THR   2  -0.513  -6.053  -6.053
   12   3HG2  THR   2          1HG2      THR   2   0.471  -4.597  -4.597
   13    H    TYR   3           H        TYR   3   2.744  -5.830  -5.830
   14    HA   TYR   3           HA       TYR   3   5.585  -5.435  -5.435
   15   1HB   TYR   3          2HB       TYR   3   3.700  -4.519  -4.519
   16   2HB   TYR   3          1HB       TYR   3   5.442  -4.670  -4.670
   17    HD1  TYR   3           HD1      TYR   3   5.530  -7.410  -7.410
   18    HD2  TYR   3           HD2      TYR   3   3.226  -5.945  -5.945
   19    HE1  TYR   3           HE1      TYR   3   5.262  -9.781  -9.781
   20    HE2  TYR   3           HE2      TYR   3   2.966  -8.321  -8.321
   21    HH   TYR   3           HH       TYR   3   3.073 -10.511 -10.511
   22    H    ASN   4           H        ASN   4   6.174  -3.053  -3.053
   23    HA   ASN   4           HA       ASN   4   4.436  -1.055  -1.055
   24   1HB   ASN   4          2HB       ASN   4   7.211  -1.654  -1.654
   25   2HB   ASN   4          1HB       ASN   4   6.626  -0.002  -0.002
   26   1HD2  ASN   4          2HD2      ASN   4   4.888  -2.929  -2.929
   27   2HD2  ASN   4          1HD2      ASN   4   5.826  -3.314  -3.314
   28    H    GLY   5           H        GLY   5   4.793   0.994   0.994
   29   1HA   GLY   5          1HA       GLY   5   7.149   1.526   1.526
   30   2HA   GLY   5          2HA       GLY   5   5.847   0.968   0.968
   31    H    LYS   6           H        LYS   6   4.892   2.699   2.699
   32    HA   LYS   6           HA       LYS   6   3.941   4.833   4.833
   33   1HB   LYS   6          2HB       LYS   6   5.365   5.551   5.551
   34   2HB   LYS   6          1HB       LYS   6   4.906   6.590   6.590
   35   1HG   LYS   6          2HG       LYS   6   6.577   5.567   5.567
   36   2HG   LYS   6          1HG       LYS   6   6.933   4.326   4.326
   37   1HD   LYS   6          2HD       LYS   6   7.769   6.069   6.069
   38   2HD   LYS   6          1HD       LYS   6   7.399   7.318   7.318
   39   1HE   LYS   6          2HE       LYS   6   9.067   5.122   5.122
   40   2HE   LYS   6          1HE       LYS   6   9.835   5.988   5.988
   41   1HZ   LYS   6          1HZ       LYS   6   8.631   7.868   7.868
   42   2HZ   LYS   6          2HZ       LYS   6   9.517   6.862   6.862
   43    H    CYS   7           H        CYS   7   2.364   6.284   6.284
   44    HA   CYS   7           HA       CYS   7   1.155   4.832   4.832
   45   1HB   CYS   7          2HB       CYS   7  -1.122   5.311   5.311
   46   2HB   CYS   7          1HB       CYS   7  -0.204   3.890   3.890
   47    H    TYR   8           H        TYR   8  -0.223   6.270   6.270
   48    HA   TYR   8           HA       TYR   8   0.331   9.106   9.106
   49   1HB   TYR   8          2HB       TYR   8  -0.157   7.485   7.485
   50   2HB   TYR   8          1HB       TYR   8   0.097   9.219   9.219
   51    HD1  TYR   8           HD2      TYR   8   2.216   8.430   8.430
   52    HD2  TYR   8           HD1      TYR   8   1.803   7.670   7.670
   53    HE1  TYR   8           HE2      TYR   8   4.725   8.063   8.063
   54    HE2  TYR   8           HE1      TYR   8   4.313   7.306   7.306
   55    HH   TYR   8           HH       TYR   8   6.382   7.610   7.610
   56    H    LYS   9           H        LYS   9  -1.363  10.561  10.561
   57    HA   LYS   9           HA       LYS   9  -3.984   9.426   9.426
   58   1HB   LYS   9          2HB       LYS   9  -4.667  11.679  11.679
   59   2HB   LYS   9          1HB       LYS   9  -3.261  11.177  11.177
   60   1HG   LYS   9          2HG       LYS   9  -2.572  13.305  13.305
   61   2HG   LYS   9          1HG       LYS   9  -1.912  12.364  12.364
   62   1HD   LYS   9          2HD       LYS   9  -3.037  13.918  13.918
   63   2HD   LYS   9          1HD       LYS   9  -4.376  12.814  12.814
   64   1HE   LYS   9          2HE       LYS   9  -5.523  14.317  14.317
   65   2HE   LYS   9          1HE       LYS   9  -4.118  14.679  14.679
   66   1HZ   LYS   9          1HZ       LYS   9  -3.621  15.813  15.813
   67   2HZ   LYS   9          2HZ       LYS   9  -5.173  16.186  16.186
   68    H    LYS  10           H        LYS  10  -2.231  11.698  11.698
   69    HA   LYS  10           HA       LYS  10  -4.338  12.218  12.218
   70   1HB   LYS  10          2HB       LYS  10  -1.735  12.991  12.991
   71   2HB   LYS  10          1HB       LYS  10  -1.653  11.959  11.959
   72   1HG   LYS  10          2HG       LYS  10  -3.299  13.252  13.252
   73   2HG   LYS  10          1HG       LYS  10  -3.830  14.066  14.066
   74   1HD   LYS  10          2HD       LYS  10  -1.643  15.232  15.232
   75   2HD   LYS  10          1HD       LYS  10  -1.049  14.373  14.373
   76   1HE   LYS  10          2HE       LYS  10  -3.530  16.151  16.151
   77   2HE   LYS  10          1HE       LYS  10  -1.921  16.752  16.752
   78   1HZ   LYS  10          1HZ       LYS  10  -3.624  15.187  15.187
   79   2HZ   LYS  10          2HZ       LYS  10  -2.285  16.018  16.018
   80    H    ASP  11           H        ASP  11  -1.963   9.497   9.497
   81    HA   ASP  11           HA       ASP  11  -3.323   8.362   8.362
   82   1HB   ASP  11          2HB       ASP  11  -0.853   7.700   7.700
   83   2HB   ASP  11          1HB       ASP  11  -1.570   6.442   6.442
   84    HD1  ASP  11          2HD       ASP  11  -0.774   9.933   9.933
   85    H    ASN  12           H        ASN  12  -3.608   8.444   8.444
   86    HA   ASN  12           HA       ASN  12  -4.450   7.131   7.131
   87   1HB   ASN  12          2HB       ASN  12  -6.540   7.842   7.842
   88   2HB   ASN  12          1HB       ASN  12  -6.362   6.746   6.746
   89   1HD2  ASN  12          2HD2      ASN  12  -6.944   4.861   4.861
   90   2HD2  ASN  12          1HD2      ASN  12  -5.708   6.050   6.050
   91    H    ILE  13           H        ILE  13  -2.358   5.698   5.698
   92    HA   ILE  13           HA       ILE  13  -3.328   2.977   2.977
   93    HB   ILE  13           HB       ILE  13  -1.137   2.623   2.623
   94   1HG1  ILE  13          2HG1      ILE  13  -0.848   4.672   4.672
   95   2HG1  ILE  13          3HG1      ILE  13  -1.586   5.593   5.593
   96   1HG2  ILE  13          1HG2      ILE  13  -3.860   3.421   3.421
   97   2HG2  ILE  13          2HG2      ILE  13  -2.625   3.562   3.562
   98   3HG2  ILE  13          3HG2      ILE  13  -2.888   2.002   2.002
   99   1HD1  ILE  13          1HD1      ILE  13   0.146   4.727   4.727
  100   2HD1  ILE  13          2HD1      ILE  13   0.913   3.855   3.855
  101   3HD1  ILE  13          3HD1      ILE  13   0.862   5.634   5.634
  102    H    CYS  14           H        CYS  14  -1.260   1.448   1.448
  103    HA   CYS  14           HA       CYS  14   0.136   2.662   2.662
  104   1HB   CYS  14          2HB       CYS  14  -1.829   0.587   0.587
  105   2HB   CYS  14          1HB       CYS  14  -0.276  -0.106  -0.106
  106    H    LYS  15           H        LYS  15   2.272   2.680   2.680
  107    HA   LYS  15           HA       LYS  15   3.185   0.511   0.511
  108   1HB   LYS  15          2HB       LYS  15   4.510   3.159   3.159
  109   2HB   LYS  15          1HB       LYS  15   5.067   1.982   1.982
  110   1HG   LYS  15          2HG       LYS  15   3.630   2.756   2.756
  111   2HG   LYS  15          1HG       LYS  15   2.261   2.609   2.609
  112   1HD   LYS  15          2HD       LYS  15   4.236   4.933   4.933
  113   2HD   LYS  15          1HD       LYS  15   2.768   4.981   4.981
  114   1HE   LYS  15          2HE       LYS  15   1.792   5.802   5.802
  115   2HE   LYS  15          1HE       LYS  15   1.768   4.132   4.132
  116   1HZ   LYS  15          1HZ       LYS  15   4.251   5.588   5.588
  117   2HZ   LYS  15          2HZ       LYS  15   2.977   6.037   6.037
  118    H    TYR  16           H        TYR  16   4.720  -0.969  -0.969
  119    HA   TYR  16           HA       TYR  16   6.333  -0.521  -0.521
  120   1HB   TYR  16          2HB       TYR  16   5.238  -2.482  -2.482
  121   2HB   TYR  16          1HB       TYR  16   4.181  -1.091  -1.091
  122    HD1  TYR  16           HD1      TYR  16   2.672  -1.111  -1.111
  123    HD2  TYR  16           HD2      TYR  16   4.338  -4.564  -4.564
  124    HE1  TYR  16           HE1      TYR  16   0.902  -2.573  -2.573
  125    HE2  TYR  16           HE2      TYR  16   2.562  -6.015  -6.015
  126    HH   TYR  16           HH       TYR  16  -0.150  -4.633  -4.633
  127    H    LYS  17           H        LYS  17   7.840  -2.332  -2.332
  128    HA   LYS  17           HA       LYS  17   8.286  -3.763  -3.763
  129   1HB   LYS  17          2HB       LYS  17   9.969  -2.387  -2.387
  130   2HB   LYS  17          1HB       LYS  17  10.251  -4.047  -4.047
  131   1HG   LYS  17          2HG       LYS  17  10.121  -3.548  -3.548
  132   2HG   LYS  17          1HG       LYS  17  11.505  -2.868  -2.868
  133   1HD   LYS  17          2HD       LYS  17  10.653  -5.784  -5.784
  134   2HD   LYS  17          1HD       LYS  17  11.822  -5.244  -5.244
  135   1HE   LYS  17          2HE       LYS  17  13.076  -4.151  -4.151
  136   2HE   LYS  17          1HE       LYS  17  12.062  -5.172  -5.172
  137   1HZ   LYS  17          1HZ       LYS  17  13.781  -6.613  -6.613
  138   2HZ   LYS  17          2HZ       LYS  17  12.934  -6.982  -6.982
  139    H    ALA  18           H        ALA  18   7.014  -5.567  -5.567
  140    HA   ALA  18           HA       ALA  18   5.965  -7.023  -7.023
  141   1HB   ALA  18          2HB       ALA  18   5.930  -7.162  -7.162
  142   2HB   ALA  18          3HB       ALA  18   7.004  -8.541  -8.541
  143   3HB   ALA  18          1HB       ALA  18   5.368  -8.495  -8.495
  144    H    GLN  19           H        GLN  19   6.595  -9.401  -9.401
  145    HA   GLN  19           HA       GLN  19   9.016  -9.239  -9.239
  146   1HB   GLN  19          2HB       GLN  19   6.765 -10.747 -10.747
  147   2HB   GLN  19          1HB       GLN  19   7.808 -11.933 -11.933
  148   1HG   GLN  19          2HG       GLN  19   9.112 -10.395 -10.395
  149   2HG   GLN  19          1HG       GLN  19   7.756 -11.373 -11.373
  150   1HE2  GLN  19          2HE2      GLN  19  11.304 -13.054 -13.054
  151   2HE2  GLN  19          1HE2      GLN  19  10.949 -11.380 -11.380
  152    H    SER  20           H        SER  20   8.111 -10.423 -10.423
  153    HA   SER  20           HA       SER  20  10.835 -11.427 -11.427
  154   1HB   SER  20          2HB       SER  20   9.592 -12.561 -12.561
  155   2HB   SER  20          1HB       SER  20   9.672 -13.330 -13.330
  156    HG   SER  20           HG       SER  20   7.470 -12.615 -12.615
  157    H    GLY  21           H        GLY  21   8.923  -8.784  -8.784
  158   1HA   GLY  21          1HA       GLY  21   9.318  -6.956  -6.956
  159   2HA   GLY  21          2HA       GLY  21  10.626  -7.797  -7.797
  160    H    LYS  22           H        LYS  22   7.958  -9.873  -9.873
  161    HA   LYS  22           HA       LYS  22   7.616  -9.581  -9.581
  162   1HB   LYS  22          2HB       LYS  22   7.252 -11.609 -11.609
  163   2HB   LYS  22          1HB       LYS  22   5.610 -10.999 -10.999
  164   1HG   LYS  22          2HG       LYS  22   5.819 -10.942 -10.942
  165   2HG   LYS  22          1HG       LYS  22   7.158 -12.044 -12.044
  166   1HD   LYS  22          2HD       LYS  22   5.420 -13.345 -13.345
  167   2HD   LYS  22          1HD       LYS  22   4.224 -12.454 -12.454
  168   1HE   LYS  22          2HE       LYS  22   5.034 -13.385 -13.385
  169   2HE   LYS  22          1HE       LYS  22   6.433 -14.092 -14.092
  170   1HZ   LYS  22          1HZ       LYS  22   3.678 -14.854 -14.854
  171   2HZ   LYS  22          2HZ       LYS  22   4.479 -15.635 -15.635
  172    H    THR  23           H        THR  23   5.766  -8.455  -8.455
  173    HA   THR  23           HA       THR  23   3.678  -7.340  -7.340
  174    HB   THR  23           HB       THR  23   4.057  -8.121  -8.121
  175    HG1  THR  23          1HG       THR  23   2.034  -6.385  -6.385
  176   1HG2  THR  23          1HG2      THR  23   4.834  -5.517  -5.517
  177   2HG2  THR  23          2HG2      THR  23   3.071  -5.277  -5.277
  178   3HG2  THR  23          3HG2      THR  23   3.826  -6.243  -6.243
  179    H    ALA  24           H        ALA  24   3.137  -4.863  -4.863
  180    HA   ALA  24           HA       ALA  24   4.987  -3.001  -3.001
  181   1HB   ALA  24          1HB       ALA  24   5.301  -4.131  -4.131
  182   2HB   ALA  24          2HB       ALA  24   5.399  -2.361  -2.361
  183   3HB   ALA  24          3HB       ALA  24   6.512  -3.403  -3.403
  184    H    ILE  25           H        ILE  25   3.607  -1.385  -1.385
  185    HA   ILE  25           HA       ILE  25   1.890  -0.001  -0.001
  186    HB   ILE  25           HB       ILE  25   1.773  -0.422  -0.422
  187   1HG1  ILE  25          2HG1      ILE  25   3.897   0.871   0.871
  188   2HG1  ILE  25          3HG1      ILE  25   4.044  -0.081  -0.081
  189   1HG2  ILE  25          3HG2      ILE  25   0.053   0.990   0.990
  190   2HG2  ILE  25          1HG2      ILE  25   1.384   2.146   2.146
  191   3HG2  ILE  25          2HG2      ILE  25   0.863   1.726   1.726
  192   1HD1  ILE  25          1HD1      ILE  25   2.868   2.734   2.734
  193   2HD1  ILE  25          2HD1      ILE  25   4.513   2.331   2.331
  194   3HD1  ILE  25          3HD1      ILE  25   3.102   1.770   1.770
  195    H    CYS  26           H        CYS  26  -0.291  -0.138  -0.138
  196    HA   CYS  26           HA       CYS  26  -1.887  -2.089  -2.089
  197   1HB   CYS  26          2HB       CYS  26  -0.801  -3.539  -3.539
  198   2HB   CYS  26          1HB       CYS  26  -1.233  -2.464  -2.464
  199    H    LYS  27           H        LYS  27  -3.601  -0.738  -0.738
  200    HA   LYS  27           HA       LYS  27  -4.215   1.618   1.618
  201   1HB   LYS  27          2HB       LYS  27  -6.367  -0.385  -0.385
  202   2HB   LYS  27          1HB       LYS  27  -6.421   1.360   1.360
  203   1HG   LYS  27          2HG       LYS  27  -5.734   1.042   1.042
  204   2HG   LYS  27          1HG       LYS  27  -4.147   0.728   0.728
  205   1HD   LYS  27          2HD       LYS  27  -5.611  -1.709  -1.709
  206   2HD   LYS  27          1HD       LYS  27  -5.967  -1.120  -1.120
  207   1HE   LYS  27          2HE       LYS  27  -3.231  -0.672  -0.672
  208   2HE   LYS  27          1HE       LYS  27  -3.401  -2.127  -2.127
  209   1HZ   LYS  27          1HZ       LYS  27  -4.441  -1.808  -1.808
  210   2HZ   LYS  27          2HZ       LYS  27  -3.109  -2.651  -2.651
  211    H    CYS  28           H        CYS  28  -5.318   2.499   2.499
  212    HA   CYS  28           HA       CYS  28  -5.238   0.899   0.899
  213   1HB   CYS  28          2HB       CYS  28  -5.361   3.669   3.669
  214   2HB   CYS  28          1HB       CYS  28  -6.714   3.316   3.316
  215    H    TYR  29           H        TYR  29  -7.618   1.872   1.872
  216    HA   TYR  29           HA       TYR  29  -9.965   1.451   1.451
  217   1HB   TYR  29          2HB       TYR  29  -8.669  -0.880  -0.880
  218   2HB   TYR  29          1HB       TYR  29  -9.082  -0.918  -0.918
  219    HD1  TYR  29           HD2      TYR  29 -11.790   0.731   0.731
  220    HD2  TYR  29           HD1      TYR  29  -9.994  -3.142  -3.142
  221    HE1  TYR  29           HE2      TYR  29 -14.050  -0.285  -0.285
  222    HE2  TYR  29           HE1      TYR  29 -12.259  -4.146  -4.146
  223    HH   TYR  29           HH       TYR  29 -14.691  -3.486  -3.486
  224    H    VAL  30           H        VAL  30 -11.450   2.516   2.516
  225    HA   VAL  30           HA       VAL  30 -12.583   3.260   3.260
  226    HB   VAL  30           HB       VAL  30 -11.177   1.378   1.378
  227   1HG1  VAL  30          3HG1      VAL  30 -13.206   3.096   3.096
  228   2HG1  VAL  30          1HG1      VAL  30 -14.138   1.677   1.677
  229   3HG1  VAL  30          2HG1      VAL  30 -13.047   1.550   1.550
  230   1HG2  VAL  30          2HG2      VAL  30 -12.897   0.638   0.638
  231   2HG2  VAL  30          3HG2      VAL  30 -11.492  -0.203  -0.203
  232   3HG2  VAL  30          1HG2      VAL  30 -13.071  -0.275  -0.275
  233    H    LYS  31           H        LYS  31  -9.432   2.307   2.307
  234    HA   LYS  31           HA       LYS  31  -9.250   4.924   4.924
  235   1HB   LYS  31          2HB       LYS  31  -8.259   2.319   2.319
  236   2HB   LYS  31          1HB       LYS  31  -6.864   3.351   3.351
  237   1HG   LYS  31          2HG       LYS  31  -7.194   3.993   3.993
  238   2HG   LYS  31          1HG       LYS  31  -8.471   5.005   5.005
  239   1HD   LYS  31          2HD       LYS  31 -10.152   3.649   3.649
  240   2HD   LYS  31          1HD       LYS  31  -9.264   2.173   2.173
  241   1HE   LYS  31          2HE       LYS  31  -9.312   2.274   2.274
  242   2HE   LYS  31          1HE       LYS  31  -7.715   2.878   2.878
  243   1HZ   LYS  31          1HZ       LYS  31  -8.284   4.976   4.976
  244   2HZ   LYS  31          2HZ       LYS  31  -9.821   4.887   4.887
  245    H    LYS  32           H        LYS  32  -9.412   5.645   5.645
  246    HA   LYS  32           HA       LYS  32  -7.436   5.449   5.449
  247   1HB   LYS  32          2HB       LYS  32  -9.331   6.745   6.745
  248   2HB   LYS  32          1HB       LYS  32  -9.104   7.822   7.822
  249   1HG   LYS  32          2HG       LYS  32  -6.928   8.604   8.604
  250   2HG   LYS  32          1HG       LYS  32  -7.288   7.611   7.611
  251   1HD   LYS  32          2HD       LYS  32  -9.418   9.532   9.532
  252   2HD   LYS  32          1HD       LYS  32  -8.009  10.209  10.209
  253   1HE   LYS  32          2HE       LYS  32  -8.490   8.245   8.245
  254   2HE   LYS  32          1HE       LYS  32 -10.111   8.355   8.355
  255   1HZ   LYS  32          1HZ       LYS  32  -8.691  10.796  10.796
  256   2HZ   LYS  32          2HZ       LYS  32  -9.512   9.889   9.889
  257    H    CYS  33           H        CYS  33  -5.517   6.767   6.767
  258    HA   CYS  33           HA       CYS  33  -3.791   6.898   6.898
  259   1HB   CYS  33          2HB       CYS  33  -3.124   8.285   8.285
  260   2HB   CYS  33          1HB       CYS  33  -2.109   7.320   7.320
  261    HA   PRO  34           HA       PRO  34  -4.655  11.004  11.004
  262   1HB   PRO  34          2HB       PRO  34  -2.509  11.479  11.479
  263   2HB   PRO  34          1HB       PRO  34  -3.932  10.601  10.601
  264   1HG   PRO  34          2HG       PRO  34  -1.257   9.551   9.551
  265   2HG   PRO  34          1HG       PRO  34  -2.537   8.778   8.778
  266   1HD   PRO  34          2HD       PRO  34  -1.811   8.247   8.247
  267   2HD   PRO  34          1HD       PRO  34  -3.162   7.559   7.559
  268    H    ARG  35           H        ARG  35  -1.201  10.613  10.613
  269    HA   ARG  35           HA       ARG  35  -1.458  12.542  12.542
  270   1HB   ARG  35          2HB       ARG  35   0.189  14.150  14.150
  271   2HB   ARG  35          1HB       ARG  35  -1.223  14.037  14.037
  272   1HG   ARG  35          2HG       ARG  35   0.313  12.066  12.066
  273   2HG   ARG  35          1HG       ARG  35   1.581  13.111  13.111
  274   1HD   ARG  35          2HD       ARG  35  -0.065  14.989  14.989
  275   2HD   ARG  35          1HD       ARG  35  -0.414  13.616  13.616
  276    HE   ARG  35           HE       ARG  35   2.334  13.569  13.569
  277   1HH1  ARG  35          2HH2      ARG  35   0.018  16.149  16.149
  278   2HH1  ARG  35          1HH2      ARG  35   1.102  16.991  16.991
  279    HH2  ARG  35          1HH       ARG  35   3.299  16.110  16.110
  280    H    ASP  36           H        ASP  36   0.405  12.498  12.498
  281    HA   ASP  36           HA       ASP  36   1.603  10.199  10.199
  282   1HB   ASP  36          2HB       ASP  36   2.066  11.781  11.781
  283   2HB   ASP  36          1HB       ASP  36   2.423  13.043  13.043
  284    HD2  ASP  36          2HD       ASP  36   4.926  11.528  11.528
  285    H    GLY  37           H        GLY  37   3.384   9.003   9.003
  286   1HA   GLY  37          1HA       GLY  37   5.391   8.747   8.747
  287   2HA   GLY  37          2HA       GLY  37   5.168  10.299  10.299
  288    H    ALA  38           H        ALA  38   2.247   9.650   9.650
  289    HA   ALA  38           HA       ALA  38   2.408   8.942   8.942
  290   1HB   ALA  38          1HB       ALA  38   0.269   8.187   8.187
  291   2HB   ALA  38          2HB       ALA  38   0.053   8.107   8.107
  292   3HB   ALA  38          3HB       ALA  38   0.347   9.675   9.675
  293    H    LYS  39           H        LYS  39   3.096   7.216   7.216
  294    HA   LYS  39           HA       LYS  39   3.946   4.876   4.876
  295   1HB   LYS  39          2HB       LYS  39   5.121   5.898   5.898
  296   2HB   LYS  39          1HB       LYS  39   3.786   5.416   5.416
  297   1HG   LYS  39          2HG       LYS  39   4.741   3.178   3.178
  298   2HG   LYS  39          1HG       LYS  39   6.028   3.848   3.848
  299   1HD   LYS  39          2HD       LYS  39   3.590   3.641   3.641
  300   2HD   LYS  39          1HD       LYS  39   3.938   2.096   2.096
  301   1HE   LYS  39          2HE       LYS  39   6.363   2.373   2.373
  302   2HE   LYS  39          1HE       LYS  39   5.785   3.729   3.729
  303   1HZ   LYS  39          1HZ       LYS  39   3.991   1.854   1.854
  304   2HZ   LYS  39          2HZ       LYS  39   5.284   0.898   0.898
  305    H    CYS  40           H        CYS  40   3.127   2.729   2.729
  306    HA   CYS  40           HA       CYS  40   0.645   2.367   2.367
  307   1HB   CYS  40          2HB       CYS  40   0.090   3.375   3.375
  308   2HB   CYS  40          1HB       CYS  40   0.638   1.858   1.858
  309    H    GLU  41           H        GLU  41  -0.071  -0.072  -0.072
  310    HA   GLU  41           HA       GLU  41   2.307  -1.652  -1.652
  311   1HB   GLU  41          2HB       GLU  41   1.473  -3.166  -3.166
  312   2HB   GLU  41          1HB       GLU  41   2.368  -1.710  -1.710
  313   1HG   GLU  41          2HG       GLU  41   0.218  -0.482  -0.482
  314   2HG   GLU  41          1HG       GLU  41  -0.679  -1.935  -1.935
  315    HE2  GLU  41          2HE       GLU  41  -1.191  -1.208  -1.208
  316    H    PHE  42           H        PHE  42   1.867  -3.819  -3.819
  317    HA   PHE  42           HA       PHE  42  -0.861  -4.037  -4.037
  318   1HB   PHE  42          2HB       PHE  42   0.935  -3.953  -3.953
  319   2HB   PHE  42          1HB       PHE  42   1.908  -5.100  -5.100
  320    HD1  PHE  42          2HD       PHE  42  -1.009  -4.715  -4.715
  321    HD2  PHE  42          1HD       PHE  42   1.490  -7.471  -7.471
  322    HE1  PHE  42          2HE       PHE  42  -1.978  -6.595  -6.595
  323    HE2  PHE  42          1HE       PHE  42   0.521  -9.351  -9.351
  324    HZ   PHE  42           HZ       PHE  42  -1.202  -8.891  -8.891
  325    H    ASP  43           H        ASP  43  -2.108  -5.299  -5.299
  326    HA   ASP  43           HA       ASP  43  -0.954  -7.262  -7.262
  327   1HB   ASP  43          2HB       ASP  43  -3.814  -6.597  -6.597
  328   2HB   ASP  43          1HB       ASP  43  -3.459  -7.932  -7.932
  329    HD2  ASP  43          2HD       ASP  43  -4.132  -5.549  -5.549
  330    H    SER  44           H        SER  44  -0.636  -9.470  -9.470
  331    HA   SER  44           HA       SER  44  -1.364 -10.307 -10.307
  332   1HB   SER  44          2HB       SER  44   0.164 -12.210 -12.210
  333   2HB   SER  44          1HB       SER  44   0.955 -10.677 -10.677
  334    HG   SER  44           HG       SER  44   0.765 -10.987 -10.987
  335    H    TYR  45           H        TYR  45  -3.123 -10.069 -10.069
  336    HA   TYR  45           HA       TYR  45  -3.972 -12.830 -12.830
  337   1HB   TYR  45          2HB       TYR  45  -5.296 -10.334 -10.334
  338   2HB   TYR  45          1HB       TYR  45  -5.129 -11.906 -11.906
  339    HD1  TYR  45           HD1      TYR  45  -2.393 -12.569 -12.569
  340    HD2  TYR  45           HD2      TYR  45  -4.140  -8.672  -8.672
  341    HE1  TYR  45           HE1      TYR  45  -0.360 -11.732 -11.732
  342    HE2  TYR  45           HE2      TYR  45  -2.101  -7.848  -7.848
  343    HH   TYR  45           HH       TYR  45   0.744  -9.827  -9.827
  344    H    LYS  46           H        LYS  46  -5.004  -9.747  -9.747
  345    HA   LYS  46           HA       LYS  46  -7.295 -11.204 -11.204
  346   1HB   LYS  46          2HB       LYS  46  -7.187  -8.415  -8.415
  347   2HB   LYS  46          1HB       LYS  46  -8.409  -8.878  -8.878
  348   1HG   LYS  46          2HG       LYS  46  -8.294 -10.983 -10.983
  349   2HG   LYS  46          1HG       LYS  46  -8.294  -9.474  -9.474
  350   1HD   LYS  46          2HD       LYS  46 -10.277  -8.743  -8.743
  351   2HD   LYS  46          1HD       LYS  46 -10.346 -10.397 -10.397
  352   1HE   LYS  46          2HE       LYS  46 -10.429 -11.061 -11.061
  353   2HE   LYS  46          1HE       LYS  46 -10.808  -9.375  -9.375
  354   1HZ   LYS  46          1HZ       LYS  46 -12.840 -10.642 -10.642
  355   2HZ   LYS  46          2HZ       LYS  46 -12.700  -9.622  -9.622
  356    H    GLY  47           H        GLY  47  -5.016  -8.411  -8.411
  357   1HA   GLY  47          1HA       GLY  47  -3.660  -8.398  -8.398
  358   2HA   GLY  47          2HA       GLY  47  -5.058  -8.943  -8.943
  359    H    LYS  48           H        LYS  48  -5.545  -6.612  -6.612
  360    HA   LYS  48           HA       LYS  48  -6.225  -4.624  -4.624
  361   1HB   LYS  48          2HB       LYS  48  -6.989  -4.878  -4.878
  362   2HB   LYS  48          1HB       LYS  48  -7.445  -3.534  -3.534
  363   1HG   LYS  48          2HG       LYS  48  -8.033  -6.368  -6.368
  364   2HG   LYS  48          1HG       LYS  48  -9.079  -5.605  -5.605
  365   1HD   LYS  48          2HD       LYS  48  -9.785  -3.920  -3.920
  366   2HD   LYS  48          1HD       LYS  48  -8.372  -4.096  -4.096
  367   1HE   LYS  48          2HE       LYS  48 -10.242  -6.455  -6.455
  368   2HE   LYS  48          1HE       LYS  48 -10.740  -5.114  -5.114
  369   1HZ   LYS  48          1HZ       LYS  48  -8.334  -5.416  -5.416
  370   2HZ   LYS  48          2HZ       LYS  48  -8.465  -6.929  -6.929
  371    H    CYS  49           H        CYS  49  -5.889  -2.235  -2.235
  372    HA   CYS  49           HA       CYS  49  -3.080  -2.208  -2.208
  373   1HB   CYS  49          2HB       CYS  49  -4.204   0.202   0.202
  374   2HB   CYS  49          1HB       CYS  49  -2.607  -0.508  -0.508
  375    H    TYR  50           H        TYR  50  -3.343  -2.038  -2.038
  376    HA   TYR  50           HA       TYR  50  -5.403  -0.462  -0.462
  377   1HB   TYR  50          2HB       TYR  50  -2.874  -1.968  -1.968
  378   2HB   TYR  50          1HB       TYR  50  -3.547  -0.870  -0.870
  379    HD1  TYR  50           HD2      TYR  50  -4.401  -3.823  -3.823
  380    HD2  TYR  50           HD1      TYR  50  -5.352  -1.533  -1.533
  381    HE1  TYR  50           HE2      TYR  50  -6.041  -5.619  -5.619
  382    HE2  TYR  50           HE1      TYR  50  -6.988  -3.337  -3.337
  383    HH   TYR  50           HH       TYR  50  -8.357  -5.107  -5.107
  384    H    CYS  51           H        CYS  51  -4.499   1.372   1.372
  385    HA   CYS  51           HA       CYS  51  -2.269   2.814   2.814
  386   1HB   CYS  51          2HB       CYS  51  -4.575   3.133   3.133
  387   2HB   CYS  51          1HB       CYS  51  -4.511   4.570   4.570

  Start of MODEL   10
    1    H    ALA   1           H        ALA   1   3.065 -12.483 -12.483
    2    HA   ALA   1           HA       ALA   1   4.892 -11.555 -11.555
    3   1HB   ALA   1          1HB       ALA   1   2.386 -13.114 -13.114
    4   2HB   ALA   1          2HB       ALA   1   2.848 -12.353 -12.353
    5   3HB   ALA   1          3HB       ALA   1   3.981 -13.450 -13.450
    6    H    THR   2           H        THR   2   3.426  -9.301  -9.301
    7    HA   THR   2           HA       THR   2   2.017  -7.958  -7.958
    8    HB   THR   2           HB       THR   2   2.986  -6.703  -6.703
    9    HG1  THR   2          1HG       THR   2   1.542  -8.064  -8.064
   10   1HG2  THR   2          3HG2      THR   2   1.013  -6.096  -6.096
   11   2HG2  THR   2          1HG2      THR   2   0.156  -6.503  -6.503
   12   3HG2  THR   2          2HG2      THR   2   1.360  -5.192  -5.192
   13    H    TYR   3           H        TYR   3   2.669  -6.185  -6.185
   14    HA   TYR   3           HA       TYR   3   5.580  -5.920  -5.920
   15   1HB   TYR   3          2HB       TYR   3   3.374  -4.841  -4.841
   16   2HB   TYR   3          1HB       TYR   3   5.044  -5.148  -5.148
   17    HD1  TYR   3           HD1      TYR   3   4.845  -7.937  -7.937
   18    HD2  TYR   3           HD2      TYR   3   2.725  -6.148  -6.148
   19    HE1  TYR   3           HE1      TYR   3   4.197 -10.243 -10.243
   20    HE2  TYR   3           HE2      TYR   3   2.084  -8.459  -8.459
   21    HH   TYR   3           HH       TYR   3   1.783 -10.719 -10.719
   22    H    ASN   4           H        ASN   4   6.084  -3.529  -3.529
   23    HA   ASN   4           HA       ASN   4   4.552  -1.568  -1.568
   24   1HB   ASN   4          2HB       ASN   4   7.563  -1.389  -1.389
   25   2HB   ASN   4          1HB       ASN   4   6.337  -0.746  -0.746
   26   1HD2  ASN   4          2HD2      ASN   4   5.645  -3.908  -3.908
   27   2HD2  ASN   4          1HD2      ASN   4   4.843  -2.540  -2.540
   28    H    GLY   5           H        GLY   5   4.918   0.627   0.627
   29   1HA   GLY   5          1HA       GLY   5   6.863   1.244   1.244
   30   2HA   GLY   5          2HA       GLY   5   5.438   0.673   0.673
   31    H    LYS   6           H        LYS   6   4.903   2.722   2.722
   32    HA   LYS   6           HA       LYS   6   3.748   4.554   4.554
   33   1HB   LYS   6          2HB       LYS   6   5.501   5.428   5.428
   34   2HB   LYS   6          1HB       LYS   6   4.660   6.482   6.482
   35   1HG   LYS   6          2HG       LYS   6   5.980   5.631   5.631
   36   2HG   LYS   6          1HG       LYS   6   6.721   4.408   4.408
   37   1HD   LYS   6          2HD       LYS   6   7.504   6.463   6.463
   38   2HD   LYS   6          1HD       LYS   6   7.159   7.409   7.409
   39   1HE   LYS   6          2HE       LYS   6   8.872   6.413   6.413
   40   2HE   LYS   6          1HE       LYS   6   8.807   4.910   4.910
   41   1HZ   LYS   6          1HZ       LYS   6  10.441   7.171   7.171
   42   2HZ   LYS   6          2HZ       LYS   6  10.512   5.703   5.703
   43    H    CYS   7           H        CYS   7   2.037   5.939   5.939
   44    HA   CYS   7           HA       CYS   7   0.900   4.674   4.674
   45   1HB   CYS   7          2HB       CYS   7  -1.310   5.585   5.585
   46   2HB   CYS   7          1HB       CYS   7  -0.645   4.023   4.023
   47    H    TYR   8           H        TYR   8  -0.230   6.159   6.159
   48    HA   TYR   8           HA       TYR   8   0.638   8.944   8.944
   49   1HB   TYR   8          2HB       TYR   8   0.058   7.148   7.148
   50   2HB   TYR   8          1HB       TYR   8   0.375   8.864   8.864
   51    HD1  TYR   8           HD2      TYR   8   2.404   8.059   8.059
   52    HD2  TYR   8           HD1      TYR   8   2.075   7.288   7.288
   53    HE1  TYR   8           HE2      TYR   8   4.899   7.586   7.586
   54    HE2  TYR   8           HE1      TYR   8   4.571   6.818   6.818
   55    HH   TYR   8           HH       TYR   8   6.675   7.780   7.780
   56    H    LYS   9           H        LYS   9  -0.888  10.545  10.545
   57    HA   LYS   9           HA       LYS   9  -3.576   9.868   9.868
   58   1HB   LYS   9          2HB       LYS   9  -1.918  12.187  12.187
   59   2HB   LYS   9          1HB       LYS   9  -3.309  12.614  12.614
   60   1HG   LYS   9          2HG       LYS   9  -4.739  11.411  11.411
   61   2HG   LYS   9          1HG       LYS   9  -3.296  11.442  11.442
   62   1HD   LYS   9          2HD       LYS   9  -3.337  13.760  13.760
   63   2HD   LYS   9          1HD       LYS   9  -4.088  14.030  14.030
   64   1HE   LYS   9          2HE       LYS   9  -5.855  12.505  12.505
   65   2HE   LYS   9          1HE       LYS   9  -5.381  14.033  14.033
   66   1HZ   LYS   9          1HZ       LYS   9  -7.375  13.830  13.830
   67   2HZ   LYS   9          2HZ       LYS   9  -6.499  15.196  15.196
   68    H    LYS  10           H        LYS  10  -2.011  11.723  11.723
   69    HA   LYS  10           HA       LYS  10  -4.097  11.866  11.866
   70   1HB   LYS  10          2HB       LYS  10  -1.568  12.590  12.590
   71   2HB   LYS  10          1HB       LYS  10  -1.412  11.108  11.108
   72   1HG   LYS  10          2HG       LYS  10  -2.094  12.378  12.378
   73   2HG   LYS  10          1HG       LYS  10  -3.704  12.149  12.149
   74   1HD   LYS  10          2HD       LYS  10  -2.599  14.306  14.306
   75   2HD   LYS  10          1HD       LYS  10  -2.114  14.600  14.600
   76   1HE   LYS  10          2HE       LYS  10  -4.697  13.934  13.934
   77   2HE   LYS  10          1HE       LYS  10  -4.881  14.495  14.495
   78   1HZ   LYS  10          1HZ       LYS  10  -5.057  16.476  16.476
   79   2HZ   LYS  10          2HZ       LYS  10  -3.437  16.487  16.487
   80    H    ASP  11           H        ASP  11  -1.642   9.215   9.215
   81    HA   ASP  11           HA       ASP  11  -3.323   7.693   7.693
   82   1HB   ASP  11          2HB       ASP  11  -0.693   7.577   7.577
   83   2HB   ASP  11          1HB       ASP  11  -1.316   6.298   6.298
   84    HD2  ASP  11          2HD       ASP  11   0.385   5.452   5.452
   85    H    ASN  12           H        ASN  12  -3.356   8.377   8.377
   86    HA   ASN  12           HA       ASN  12  -4.193   7.399   7.399
   87   1HB   ASN  12          2HB       ASN  12  -6.221   8.282   8.282
   88   2HB   ASN  12          1HB       ASN  12  -6.404   6.763   6.763
   89   1HD2  ASN  12          2HD2      ASN  12  -8.728   5.930   5.930
   90   2HD2  ASN  12          1HD2      ASN  12  -8.441   6.425   6.425
   91    H    ILE  13           H        ILE  13  -2.349   5.623   5.623
   92    HA   ILE  13           HA       ILE  13  -3.717   3.039   3.039
   93    HB   ILE  13           HB       ILE  13  -1.972   2.081   2.081
   94   1HG1  ILE  13          2HG1      ILE  13  -0.831   3.947   3.947
   95   2HG1  ILE  13          3HG1      ILE  13  -1.020   4.921   4.921
   96   1HG2  ILE  13          3HG2      ILE  13  -4.220   3.630   3.630
   97   2HG2  ILE  13          1HG2      ILE  13  -2.939   3.970   3.970
   98   3HG2  ILE  13          2HG2      ILE  13  -3.454   2.293   2.293
   99   1HD1  ILE  13          2HD1      ILE  13   0.074   2.150   2.150
  100   2HD1  ILE  13          3HD1      ILE  13   1.136   3.351   3.351
  101   3HD1  ILE  13          1HD1      ILE  13   0.482   3.658   3.658
  102    H    CYS  14           H        CYS  14  -1.652   1.346   1.346
  103    HA   CYS  14           HA       CYS  14  -0.190   2.589   2.589
  104   1HB   CYS  14          2HB       CYS  14  -2.148   0.443   0.443
  105   2HB   CYS  14          1HB       CYS  14  -0.593  -0.077  -0.077
  106    H    LYS  15           H        LYS  15   1.901   2.595   2.595
  107    HA   LYS  15           HA       LYS  15   2.744   0.401   0.401
  108   1HB   LYS  15          2HB       LYS  15   3.596   3.179   3.179
  109   2HB   LYS  15          1HB       LYS  15   4.916   2.050   2.050
  110   1HG   LYS  15          2HG       LYS  15   4.181   1.427   1.427
  111   2HG   LYS  15          1HG       LYS  15   2.555   2.021   2.021
  112   1HD   LYS  15          2HD       LYS  15   3.165   4.270   4.270
  113   2HD   LYS  15          1HD       LYS  15   4.832   3.998   3.998
  114   1HE   LYS  15          2HE       LYS  15   5.318   2.859   2.859
  115   2HE   LYS  15          1HE       LYS  15   3.623   2.843   2.843
  116   1HZ   LYS  15          1HZ       LYS  15   5.383   5.219   5.219
  117   2HZ   LYS  15          2HZ       LYS  15   4.593   4.678   4.678
  118    H    TYR  16           H        TYR  16   4.282  -1.149  -1.149
  119    HA   TYR  16           HA       TYR  16   5.794  -0.957  -0.957
  120   1HB   TYR  16          2HB       TYR  16   4.594  -2.895  -2.895
  121   2HB   TYR  16          1HB       TYR  16   3.513  -1.531  -1.531
  122    HD1  TYR  16           HD1      TYR  16   1.679  -1.603  -1.603
  123    HD2  TYR  16           HD2      TYR  16   4.310  -4.938  -4.938
  124    HE1  TYR  16           HE1      TYR  16   0.048  -3.092  -3.092
  125    HE2  TYR  16           HE2      TYR  16   2.669  -6.416  -6.416
  126    HH   TYR  16           HH       TYR  16  -0.470  -5.580  -5.580
  127    H    LYS  17           H        LYS  17   7.089  -3.005  -3.005
  128    HA   LYS  17           HA       LYS  17   7.779  -4.084  -4.084
  129   1HB   LYS  17          2HB       LYS  17   9.143  -3.579  -3.579
  130   2HB   LYS  17          1HB       LYS  17   9.502  -5.168  -5.168
  131   1HG   LYS  17          2HG       LYS  17  10.626  -4.330  -4.330
  132   2HG   LYS  17          1HG       LYS  17   9.513  -2.993  -2.993
  133   1HD   LYS  17          2HD       LYS  17  10.658  -2.217  -2.217
  134   2HD   LYS  17          1HD       LYS  17  11.984  -3.166  -3.166
  135   1HE   LYS  17          2HE       LYS  17  12.048  -1.827  -1.827
  136   2HE   LYS  17          1HE       LYS  17  10.571  -0.991  -0.991
  137   1HZ   LYS  17          1HZ       LYS  17  13.237  -0.442  -0.442
  138   2HZ   LYS  17          2HZ       LYS  17  11.915   0.501   0.501
  139    H    ALA  18           H        ALA  18   7.326  -6.128  -6.128
  140    HA   ALA  18           HA       ALA  18   5.559  -7.683  -7.683
  141   1HB   ALA  18          1HB       ALA  18   6.684  -8.086  -8.086
  142   2HB   ALA  18          2HB       ALA  18   5.444  -9.113  -9.113
  143   3HB   ALA  18          3HB       ALA  18   5.095  -7.401  -7.401
  144    H    GLN  19           H        GLN  19   5.946  -9.986  -9.986
  145    HA   GLN  19           HA       GLN  19   8.133 -10.455 -10.455
  146   1HB   GLN  19          2HB       GLN  19   7.478 -12.705 -12.705
  147   2HB   GLN  19          1HB       GLN  19   5.998 -11.911 -11.911
  148   1HG   GLN  19          2HG       GLN  19   6.554 -12.418 -12.418
  149   2HG   GLN  19          1HG       GLN  19   8.009 -13.244 -13.244
  150   1HE2  GLN  19          2HE2      GLN  19   5.132 -15.628 -15.628
  151   2HE2  GLN  19          1HE2      GLN  19   5.836 -14.337 -14.337
  152    H    SER  20           H        SER  20   7.800 -10.855 -10.855
  153    HA   SER  20           HA       SER  20  10.073 -12.260 -12.260
  154   1HB   SER  20          2HB       SER  20   9.971 -10.544 -10.544
  155   2HB   SER  20          1HB       SER  20   9.001 -11.993 -11.993
  156    HG   SER  20           HG       SER  20   8.101  -9.495  -9.495
  157    H    GLY  21           H        GLY  21   9.631  -8.672  -8.672
  158   1HA   GLY  21          1HA       GLY  21  11.495  -7.644  -7.644
  159   2HA   GLY  21          2HA       GLY  21  12.573  -8.412  -8.412
  160    H    LYS  22           H        LYS  22  10.057  -7.845  -7.845
  161    HA   LYS  22           HA       LYS  22  11.264  -5.490  -5.490
  162   1HB   LYS  22          2HB       LYS  22  10.395  -7.377  -7.377
  163   2HB   LYS  22          1HB       LYS  22   8.767  -6.979  -6.979
  164   1HG   LYS  22          2HG       LYS  22   9.634  -4.507  -4.507
  165   2HG   LYS  22          1HG       LYS  22  10.564  -5.544  -5.544
  166   1HD   LYS  22          2HD       LYS  22   8.509  -6.676  -6.676
  167   2HD   LYS  22          1HD       LYS  22   7.542  -5.774  -5.774
  168   1HE   LYS  22          2HE       LYS  22   7.244  -4.223  -4.223
  169   2HE   LYS  22          1HE       LYS  22   8.913  -3.755  -3.755
  170   1HZ   LYS  22          1HZ       LYS  22   9.552  -5.443  -5.443
  171   2HZ   LYS  22          2HZ       LYS  22   7.987  -5.805  -5.805
  172    H    THR  23           H        THR  23   7.893  -5.336  -5.336
  173    HA   THR  23           HA       THR  23   7.229  -3.845  -3.845
  174    HB   THR  23           HB       THR  23   7.935  -2.429  -2.429
  175    HG1  THR  23          1HG       THR  23   9.639  -2.356  -2.356
  176   1HG2  THR  23          1HG2      THR  23   5.693  -1.608  -1.608
  177   2HG2  THR  23          2HG2      THR  23   6.518  -1.254  -1.254
  178   3HG2  THR  23          3HG2      THR  23   6.986  -0.386  -0.386
  179    H    ALA  24           H        ALA  24   5.037  -3.691  -3.691
  180    HA   ALA  24           HA       ALA  24   3.409  -4.472  -4.472
  181   1HB   ALA  24          2HB       ALA  24   3.538  -5.684  -5.684
  182   2HB   ALA  24          3HB       ALA  24   2.015  -5.714  -5.714
  183   3HB   ALA  24          1HB       ALA  24   3.471  -6.493  -6.493
  184    H    ILE  25           H        ILE  25   1.723  -3.100  -3.100
  185    HA   ILE  25           HA       ILE  25   1.260  -1.080  -1.080
  186    HB   ILE  25           HB       ILE  25   0.302  -1.084  -1.084
  187   1HG1  ILE  25          2HG1      ILE  25   2.885   0.081   0.081
  188   2HG1  ILE  25          3HG1      ILE  25   2.762  -1.340  -1.340
  189   1HG2  ILE  25          3HG2      ILE  25  -0.454   0.504   0.504
  190   2HG2  ILE  25          1HG2      ILE  25   0.903   1.437   1.437
  191   3HG2  ILE  25          2HG2      ILE  25  -0.473   0.990   0.990
  192   1HD1  ILE  25          3HD1      ILE  25   1.683   1.399   1.399
  193   2HD1  ILE  25          1HD1      ILE  25   3.292   0.790   0.790
  194   3HD1  ILE  25          2HD1      ILE  25   1.829  -0.041  -0.041
  195    H    CYS  26           H        CYS  26  -0.772  -0.721  -0.721
  196    HA   CYS  26           HA       CYS  26  -2.890  -2.531  -2.531
  197   1HB   CYS  26          2HB       CYS  26  -1.813  -3.696  -3.696
  198   2HB   CYS  26          1HB       CYS  26  -1.879  -2.269  -2.269
  199    H    LYS  27           H        LYS  27  -4.323  -0.966  -0.966
  200    HA   LYS  27           HA       LYS  27  -4.467   1.631   1.631
  201   1HB   LYS  27          2HB       LYS  27  -7.039   1.269   1.269
  202   2HB   LYS  27          1HB       LYS  27  -5.862   1.063   1.063
  203   1HG   LYS  27          2HG       LYS  27  -6.147  -1.226  -1.226
  204   2HG   LYS  27          1HG       LYS  27  -6.353  -1.379  -1.379
  205   1HD   LYS  27          2HD       LYS  27  -8.469  -0.223  -0.223
  206   2HD   LYS  27          1HD       LYS  27  -8.446  -1.889  -1.889
  207   1HE   LYS  27          2HE       LYS  27  -8.370  -0.859  -0.859
  208   2HE   LYS  27          1HE       LYS  27  -8.901   0.620   0.620
  209   1HZ   LYS  27          1HZ       LYS  27 -10.376  -1.822  -1.822
  210   2HZ   LYS  27          2HZ       LYS  27 -10.624  -1.189  -1.189
  211    H    CYS  28           H        CYS  28  -5.661   2.959   2.959
  212    HA   CYS  28           HA       CYS  28  -5.527   2.026   2.026
  213   1HB   CYS  28          2HB       CYS  28  -5.675   4.469   4.469
  214   2HB   CYS  28          1HB       CYS  28  -7.303   4.326   4.326
  215    H    TYR  29           H        TYR  29  -8.182   3.293   3.293
  216    HA   TYR  29           HA       TYR  29 -10.178   1.566   1.566
  217   1HB   TYR  29          2HB       TYR  29  -8.632   0.464   0.464
  218   2HB   TYR  29          1HB       TYR  29  -9.667   1.417   1.417
  219    HD1  TYR  29           HD2      TYR  29 -11.942   0.871   0.871
  220    HD2  TYR  29           HD1      TYR  29  -9.613  -1.455  -1.455
  221    HE1  TYR  29           HE2      TYR  29 -13.695  -0.970  -0.970
  222    HE2  TYR  29           HE1      TYR  29 -11.374  -3.287  -3.287
  223    HH   TYR  29           HH       TYR  29 -13.913  -3.258  -3.258
  224    H    VAL  30           H        VAL  30 -11.726   1.776   1.776
  225    HA   VAL  30           HA       VAL  30 -13.140   4.071   4.071
  226    HB   VAL  30           HB       VAL  30 -12.929   2.800   2.800
  227   1HG1  VAL  30          1HG1      VAL  30 -14.915   4.507   4.507
  228   2HG1  VAL  30          2HG1      VAL  30 -15.539   3.255   3.255
  229   3HG1  VAL  30          3HG1      VAL  30 -14.429   4.505   4.505
  230   1HG2  VAL  30          1HG2      VAL  30 -13.821   1.616   1.616
  231   2HG2  VAL  30          2HG2      VAL  30 -13.351   0.836   0.836
  232   3HG2  VAL  30          3HG2      VAL  30 -14.998   1.482   1.482
  233    H    LYS  31           H        LYS  31 -10.152   3.598   3.598
  234    HA   LYS  31           HA       LYS  31 -10.308   6.382   6.382
  235   1HB   LYS  31          2HB       LYS  31  -9.083   3.907   3.907
  236   2HB   LYS  31          1HB       LYS  31  -8.154   5.379   5.379
  237   1HG   LYS  31          2HG       LYS  31  -9.468   5.733   5.733
  238   2HG   LYS  31          1HG       LYS  31 -10.672   6.275   6.275
  239   1HD   LYS  31          2HD       LYS  31 -12.008   4.467   4.467
  240   2HD   LYS  31          1HD       LYS  31 -10.670   3.345   3.345
  241   1HE   LYS  31          2HE       LYS  31 -10.374   3.224   3.224
  242   2HE   LYS  31          1HE       LYS  31 -10.529   4.957   4.957
  243   1HZ   LYS  31          1HZ       LYS  31 -12.374   3.635   3.635
  244   2HZ   LYS  31          2HZ       LYS  31 -12.912   4.752   4.752
  245    H    LYS  32           H        LYS  32  -9.936   7.006   7.006
  246    HA   LYS  32           HA       LYS  32  -7.866   6.330   6.330
  247   1HB   LYS  32          2HB       LYS  32  -9.281   7.864   7.864
  248   2HB   LYS  32          1HB       LYS  32  -9.351   8.876   8.876
  249   1HG   LYS  32          2HG       LYS  32  -6.925   9.528   9.528
  250   2HG   LYS  32          1HG       LYS  32  -6.996   8.634   8.634
  251   1HD   LYS  32          2HD       LYS  32  -7.444  11.144  11.144
  252   2HD   LYS  32          1HD       LYS  32  -8.654  10.108  10.108
  253   1HE   LYS  32          2HE       LYS  32 -10.175  10.405  10.405
  254   2HE   LYS  32          1HE       LYS  32  -8.931  11.147  11.147
  255   1HZ   LYS  32          1HZ       LYS  32 -10.137  12.949  12.949
  256   2HZ   LYS  32          2HZ       LYS  32  -8.865  12.906  12.906
  257    H    CYS  33           H        CYS  33  -5.690   7.167   7.167
  258    HA   CYS  33           HA       CYS  33  -4.110   7.063   7.063
  259   1HB   CYS  33          2HB       CYS  33  -3.034   6.636   6.636
  260   2HB   CYS  33          1HB       CYS  33  -3.696   8.050   8.050
  261    HA   PRO  34           HA       PRO  34  -4.566  11.070  11.070
  262   1HB   PRO  34          2HB       PRO  34  -2.438  11.117  11.117
  263   2HB   PRO  34          1HB       PRO  34  -3.962  10.341  10.341
  264   1HG   PRO  34          2HG       PRO  34  -1.390   9.098   9.098
  265   2HG   PRO  34          1HG       PRO  34  -2.774   8.365   8.365
  266   1HD   PRO  34          2HD       PRO  34  -2.015   8.083   8.083
  267   2HD   PRO  34          1HD       PRO  34  -3.460   7.447   7.447
  268    H    ARG  35           H        ARG  35  -1.389  10.185  10.185
  269    HA   ARG  35           HA       ARG  35  -1.265  12.285  12.285
  270   1HB   ARG  35          2HB       ARG  35   0.414  13.793  13.793
  271   2HB   ARG  35          1HB       ARG  35  -1.165  13.828  13.828
  272   1HG   ARG  35          2HG       ARG  35  -0.249  11.966  11.966
  273   2HG   ARG  35          1HG       ARG  35   1.336  12.388  12.388
  274   1HD   ARG  35          2HD       ARG  35  -0.234  14.767  14.767
  275   2HD   ARG  35          1HD       ARG  35   0.011  13.655  13.655
  276    HE   ARG  35           HE       ARG  35   2.348  14.043  14.043
  277   1HH1  ARG  35          2HH2      ARG  35   0.723  15.608  15.608
  278   2HH1  ARG  35          1HH2      ARG  35   2.108  16.547  16.547
  279    HH2  ARG  35          1HH       ARG  35   4.127  16.339  16.339
  280    H    ASP  36           H        ASP  36   0.591  12.038  12.038
  281    HA   ASP  36           HA       ASP  36   1.814   9.724   9.724
  282   1HB   ASP  36          2HB       ASP  36   2.062  11.705  11.705
  283   2HB   ASP  36          1HB       ASP  36   3.217  12.403  12.403
  284    HD1  ASP  36          2HD       ASP  36   5.794  10.276  10.276
  285    H    GLY  37           H        GLY  37   3.625   8.634   8.634
  286   1HA   GLY  37          1HA       GLY  37   5.592   8.516   8.516
  287   2HA   GLY  37          2HA       GLY  37   5.267  10.088  10.088
  288    H    ALA  38           H        ALA  38   2.315   9.212   9.212
  289    HA   ALA  38           HA       ALA  38   2.463   8.592   8.592
  290   1HB   ALA  38          3HB       ALA  38   0.350   8.031   8.031
  291   2HB   ALA  38          1HB       ALA  38   0.082   7.738   7.738
  292   3HB   ALA  38          2HB       ALA  38   0.421   9.386   9.386
  293    H    LYS  39           H        LYS  39   3.300   6.876   6.876
  294    HA   LYS  39           HA       LYS  39   4.136   4.566   4.566
  295   1HB   LYS  39          2HB       LYS  39   5.042   5.480   5.480
  296   2HB   LYS  39          1HB       LYS  39   3.582   4.960   4.960
  297   1HG   LYS  39          2HG       LYS  39   4.809   2.819   2.819
  298   2HG   LYS  39          1HG       LYS  39   5.876   3.411   3.411
  299   1HD   LYS  39          2HD       LYS  39   3.405   3.197   3.197
  300   2HD   LYS  39          1HD       LYS  39   3.404   1.812   1.812
  301   1HE   LYS  39          2HE       LYS  39   4.847   0.720   0.720
  302   2HE   LYS  39          1HE       LYS  39   6.035   1.992   1.992
  303   1HZ   LYS  39          1HZ       LYS  39   4.206   3.065   3.065
  304   2HZ   LYS  39          2HZ       LYS  39   4.309   1.518   1.518
  305    H    CYS  40           H        CYS  40   3.324   2.393   2.393
  306    HA   CYS  40           HA       CYS  40   0.685   1.961   1.961
  307   1HB   CYS  40          2HB       CYS  40  -0.170   1.179   1.179
  308   2HB   CYS  40          1HB       CYS  40  -0.111   2.907   2.907
  309    H    GLU  41           H        GLU  41   0.088  -0.426  -0.426
  310    HA   GLU  41           HA       GLU  41   2.375  -2.039  -2.039
  311   1HB   GLU  41          2HB       GLU  41   1.780  -3.447  -3.447
  312   2HB   GLU  41          1HB       GLU  41   2.856  -2.069  -2.069
  313   1HG   GLU  41          2HG       GLU  41  -0.150  -1.805  -1.805
  314   2HG   GLU  41          1HG       GLU  41   0.940  -2.210  -2.210
  315    HE2  GLU  41          2HE       GLU  41   0.428   1.491   1.491
  316    H    PHE  42           H        PHE  42   1.804  -4.178  -4.178
  317    HA   PHE  42           HA       PHE  42  -1.052  -4.420  -4.420
  318   1HB   PHE  42          2HB       PHE  42   0.547  -4.466  -4.466
  319   2HB   PHE  42          1HB       PHE  42   1.533  -5.668  -5.668
  320    HD1  PHE  42          2HD       PHE  42  -1.565  -5.092  -5.092
  321    HD2  PHE  42          1HD       PHE  42   0.878  -8.001  -8.001
  322    HE1  PHE  42          2HE       PHE  42  -2.845  -6.917  -6.917
  323    HE2  PHE  42          1HE       PHE  42  -0.402  -9.826  -9.826
  324    HZ   PHE  42           HZ       PHE  42  -2.249  -9.262  -9.262
  325    H    ASP  43           H        ASP  43  -2.108  -5.554  -5.554
  326    HA   ASP  43           HA       ASP  43  -0.728  -7.531  -7.531
  327   1HB   ASP  43          2HB       ASP  43  -3.597  -6.543  -6.543
  328   2HB   ASP  43          1HB       ASP  43  -3.202  -7.965  -7.965
  329    HD2  ASP  43          2HD       ASP  43  -2.862  -5.690  -5.690
  330    H    SER  44           H        SER  44  -0.674  -9.754  -9.754
  331    HA   SER  44           HA       SER  44  -2.006 -10.589 -10.589
  332   1HB   SER  44          2HB       SER  44  -0.691 -12.669 -12.669
  333   2HB   SER  44          1HB       SER  44   0.333 -11.250 -11.250
  334    HG   SER  44           HG       SER  44   0.397 -11.440 -11.440
  335    H    TYR  45           H        TYR  45  -3.120 -10.112 -10.112
  336    HA   TYR  45           HA       TYR  45  -4.290 -12.688 -12.688
  337   1HB   TYR  45          2HB       TYR  45  -5.124  -9.982  -9.982
  338   2HB   TYR  45          1HB       TYR  45  -5.033 -11.517 -11.517
  339    HD1  TYR  45           HD1      TYR  45  -2.145 -12.099 -12.099
  340    HD2  TYR  45           HD2      TYR  45  -3.887  -8.847  -8.847
  341    HE1  TYR  45           HE1      TYR  45   0.145 -11.465 -11.465
  342    HE2  TYR  45           HE2      TYR  45  -1.591  -8.223  -8.223
  343    HH   TYR  45           HH       TYR  45   0.490  -8.851  -8.851
  344    H    LYS  46           H        LYS  46  -5.244  -9.550  -9.550
  345    HA   LYS  46           HA       LYS  46  -7.852 -10.769 -10.769
  346   1HB   LYS  46          2HB       LYS  46  -7.170  -7.855  -7.855
  347   2HB   LYS  46          1HB       LYS  46  -8.724  -8.433  -8.433
  348   1HG   LYS  46          2HG       LYS  46  -8.425 -10.063 -10.063
  349   2HG   LYS  46          1HG       LYS  46  -7.468  -8.701  -8.701
  350   1HD   LYS  46          2HD       LYS  46 -10.144  -8.075  -8.075
  351   2HD   LYS  46          1HD       LYS  46 -10.155  -8.840  -8.840
  352   1HE   LYS  46          2HE       LYS  46  -8.370  -7.000  -7.000
  353   2HE   LYS  46          1HE       LYS  46  -8.953  -6.166  -6.166
  354   1HZ   LYS  46          1HZ       LYS  46 -10.127  -6.039  -6.039
  355   2HZ   LYS  46          2HZ       LYS  46 -10.874  -5.645  -5.645
  356    H    GLY  47           H        GLY  47  -5.258  -8.520  -8.520
  357   1HA   GLY  47          1HA       GLY  47  -4.340  -9.023  -9.023
  358   2HA   GLY  47          2HA       GLY  47  -5.971  -9.331  -9.331
  359    H    LYS  48           H        LYS  48  -5.770  -6.742  -6.742
  360    HA   LYS  48           HA       LYS  48  -6.102  -4.837  -4.837
  361   1HB   LYS  48          2HB       LYS  48  -7.070  -4.887  -4.887
  362   2HB   LYS  48          1HB       LYS  48  -7.055  -3.407  -3.407
  363   1HG   LYS  48          2HG       LYS  48  -8.427  -5.989  -5.989
  364   2HG   LYS  48          1HG       LYS  48  -9.251  -4.654  -4.654
  365   1HD   LYS  48          2HD       LYS  48  -9.383  -3.491  -3.491
  366   2HD   LYS  48          1HD       LYS  48  -7.664  -3.662  -3.662
  367   1HE   LYS  48          2HE       LYS  48  -9.894  -5.574  -5.574
  368   2HE   LYS  48          1HE       LYS  48  -8.745  -4.765  -4.765
  369   1HZ   LYS  48          1HZ       LYS  48  -8.438  -7.276  -7.276
  370   2HZ   LYS  48          2HZ       LYS  48  -7.240  -6.391  -6.391
  371    H    CYS  49           H        CYS  49  -4.964  -2.813  -2.813
  372    HA   CYS  49           HA       CYS  49  -2.411  -3.081  -3.081
  373   1HB   CYS  49          2HB       CYS  49  -3.257  -2.078  -2.078
  374   2HB   CYS  49          1HB       CYS  49  -2.459  -0.790  -0.790
  375    H    TYR  50           H        TYR  50  -3.147  -2.499  -2.499
  376    HA   TYR  50           HA       TYR  50  -4.779  -0.481  -0.481
  377   1HB   TYR  50          2HB       TYR  50  -2.164  -1.684  -1.684
  378   2HB   TYR  50          1HB       TYR  50  -2.859  -0.352  -0.352
  379    HD1  TYR  50           HD2      TYR  50  -3.591  -3.785  -3.785
  380    HD2  TYR  50           HD1      TYR  50  -4.622  -0.713  -0.713
  381    HE1  TYR  50           HE2      TYR  50  -5.119  -5.404  -5.404
  382    HE2  TYR  50           HE1      TYR  50  -6.147  -2.342  -2.342
  383    HH   TYR  50           HH       TYR  50  -7.385  -4.366  -4.366
  384    H    CYS  51           H        CYS  51  -4.832   1.518   1.518
  385    HA   CYS  51           HA       CYS  51  -2.307   2.873   2.873
  386   1HB   CYS  51          2HB       CYS  51  -4.760   4.321   4.321
  387   2HB   CYS  51          1HB       CYS  51  -3.316   4.026   4.026

  Start of MODEL   11
    1    H    ALA   1           H        ALA   1   3.503 -10.627 -10.627
    2    HA   ALA   1           HA       ALA   1   4.640 -11.318 -11.318
    3   1HB   ALA   1          3HB       ALA   1   1.946 -12.505 -12.505
    4   2HB   ALA   1          1HB       ALA   1   3.148 -12.257 -12.257
    5   3HB   ALA   1          2HB       ALA   1   3.537 -13.297 -13.297
    6    H    THR   2           H        THR   2   2.702  -8.956  -8.956
    7    HA   THR   2           HA       THR   2   1.997  -7.718  -7.718
    8    HB   THR   2           HB       THR   2   2.409  -6.237  -6.237
    9    HG1  THR   2          1HG       THR   2   1.280  -7.939  -7.939
   10   1HG2  THR   2          2HG2      THR   2   0.966  -5.778  -5.778
   11   2HG2  THR   2          3HG2      THR   2  -0.256  -6.227  -6.227
   12   3HG2  THR   2          1HG2      THR   2   0.832  -4.851  -4.851
   13    H    TYR   3           H        TYR   3   2.969  -6.045  -6.045
   14    HA   TYR   3           HA       TYR   3   5.847  -5.846  -5.846
   15   1HB   TYR   3          2HB       TYR   3   4.147  -4.961  -4.961
   16   2HB   TYR   3          1HB       TYR   3   5.875  -5.249  -5.249
   17    HD1  TYR   3           HD1      TYR   3   5.408  -7.897  -7.897
   18    HD2  TYR   3           HD2      TYR   3   3.923  -6.451  -6.451
   19    HE1  TYR   3           HE1      TYR   3   5.006 -10.286 -10.286
   20    HE2  TYR   3           HE2      TYR   3   3.525  -8.845  -8.845
   21    HH   TYR   3           HH       TYR   3   3.705 -10.937 -10.937
   22    H    ASN   4           H        ASN   4   6.392  -3.503  -3.503
   23    HA   ASN   4           HA       ASN   4   4.792  -1.491  -1.491
   24   1HB   ASN   4          2HB       ASN   4   7.822  -1.228  -1.228
   25   2HB   ASN   4          1HB       ASN   4   6.699  -0.363  -0.363
   26   1HD2  ASN   4          2HD2      ASN   4   6.012  -3.444  -3.444
   27   2HD2  ASN   4          1HD2      ASN   4   5.108  -2.372  -2.372
   28    H    GLY   5           H        GLY   5   5.157   0.725   0.725
   29   1HA   GLY   5          1HA       GLY   5   6.749   1.198   1.198
   30   2HA   GLY   5          2HA       GLY   5   5.257   0.516   0.516
   31    H    LYS   6           H        LYS   6   4.867   2.633   2.633
   32    HA   LYS   6           HA       LYS   6   3.667   4.488   4.488
   33   1HB   LYS   6          2HB       LYS   6   5.477   5.227   5.227
   34   2HB   LYS   6          1HB       LYS   6   4.504   6.371   6.371
   35   1HG   LYS   6          2HG       LYS   6   6.657   6.448   6.448
   36   2HG   LYS   6          1HG       LYS   6   5.667   5.503   5.503
   37   1HD   LYS   6          2HD       LYS   6   7.003   3.685   3.685
   38   2HD   LYS   6          1HD       LYS   6   6.852   3.740   3.740
   39   1HE   LYS   6          2HE       LYS   6   9.053   4.320   4.320
   40   2HE   LYS   6          1HE       LYS   6   8.544   5.901   5.901
   41   1HZ   LYS   6          1HZ       LYS   6   8.775   3.972   3.972
   42   2HZ   LYS   6          2HZ       LYS   6  10.192   4.244   4.244
   43    H    CYS   7           H        CYS   7   2.097   6.029   6.029
   44    HA   CYS   7           HA       CYS   7   0.941   4.692   4.692
   45   1HB   CYS   7          2HB       CYS   7  -1.341   5.270   5.270
   46   2HB   CYS   7          1HB       CYS   7  -0.502   3.806   3.806
   47    H    TYR   8           H        TYR   8  -0.888   6.288   6.288
   48    HA   TYR   8           HA       TYR   8  -0.130   9.067   9.067
   49   1HB   TYR   8          2HB       TYR   8  -0.408   7.654   7.654
   50   2HB   TYR   8          1HB       TYR   8   0.014   9.340   9.340
   51    HD1  TYR   8           HD2      TYR   8   1.235   5.945   5.945
   52    HD2  TYR   8           HD1      TYR   8   2.256   9.929   9.929
   53    HE1  TYR   8           HE2      TYR   8   3.702   5.330   5.330
   54    HE2  TYR   8           HE1      TYR   8   4.719   9.301   9.301
   55    HH   TYR   8           HH       TYR   8   6.154   7.661   7.661
   56    H    LYS   9           H        LYS   9  -1.786  10.598  10.598
   57    HA   LYS   9           HA       LYS   9  -4.415   9.405   9.405
   58   1HB   LYS   9          2HB       LYS   9  -4.904  12.042  12.042
   59   2HB   LYS   9          1HB       LYS   9  -4.496  11.083  11.083
   60   1HG   LYS   9          2HG       LYS   9  -2.181  11.773  11.773
   61   2HG   LYS   9          1HG       LYS   9  -2.349  12.434  12.434
   62   1HD   LYS   9          2HD       LYS   9  -4.062  13.536  13.536
   63   2HD   LYS   9          1HD       LYS   9  -2.392  14.046  14.046
   64   1HE   LYS   9          2HE       LYS   9  -3.124  14.384  14.384
   65   2HE   LYS   9          1HE       LYS   9  -4.700  14.580  14.580
   66   1HZ   LYS   9          1HZ       LYS   9  -2.388  16.318  16.318
   67   2HZ   LYS   9          2HZ       LYS   9  -3.968  16.698  16.698
   68    H    LYS  10           H        LYS  10  -2.684  11.941  11.941
   69    HA   LYS  10           HA       LYS  10  -4.525  12.321  12.321
   70   1HB   LYS  10          2HB       LYS  10  -1.821  12.936  12.936
   71   2HB   LYS  10          1HB       LYS  10  -1.857  12.137  12.137
   72   1HG   LYS  10          2HG       LYS  10  -2.488  14.168  14.168
   73   2HG   LYS  10          1HG       LYS  10  -4.077  13.776  13.776
   74   1HD   LYS  10          2HD       LYS  10  -3.124  14.782  14.782
   75   2HD   LYS  10          1HD       LYS  10  -1.943  15.545  15.545
   76   1HE   LYS  10          2HE       LYS  10  -3.567  16.844  16.844
   77   2HE   LYS  10          1HE       LYS  10  -4.872  15.742  15.742
   78   1HZ   LYS  10          1HZ       LYS  10  -5.299  17.204  17.204
   79   2HZ   LYS  10          2HZ       LYS  10  -4.029  16.568  16.568
   80    H    ASP  11           H        ASP  11  -2.599   9.426   9.426
   81    HA   ASP  11           HA       ASP  11  -3.586   8.330   8.330
   82   1HB   ASP  11          2HB       ASP  11  -1.079   8.269   8.269
   83   2HB   ASP  11          1HB       ASP  11  -1.506   7.126   7.126
   84    HD2  ASP  11          2HD       ASP  11  -0.184   6.291   6.291
   85    H    ASN  12           H        ASN  12  -3.738   8.248   8.248
   86    HA   ASN  12           HA       ASN  12  -4.833   7.060   7.060
   87   1HB   ASN  12          2HB       ASN  12  -6.839   7.770   7.770
   88   2HB   ASN  12          1HB       ASN  12  -6.612   6.521   6.521
   89   1HD2  ASN  12          2HD2      ASN  12  -7.489   5.164   5.164
   90   2HD2  ASN  12          1HD2      ASN  12  -6.258   6.347   6.347
   91    H    ILE  13           H        ILE  13  -2.608   5.694   5.694
   92    HA   ILE  13           HA       ILE  13  -3.548   2.933   2.933
   93    HB   ILE  13           HB       ILE  13  -1.815   2.345   2.345
   94   1HG1  ILE  13          2HG1      ILE  13  -0.937   4.365   4.365
   95   2HG1  ILE  13          3HG1      ILE  13  -1.275   5.307   5.307
   96   1HG2  ILE  13          2HG2      ILE  13  -4.297   3.421   3.421
   97   2HG2  ILE  13          3HG2      ILE  13  -3.246   4.368   4.368
   98   3HG2  ILE  13          1HG2      ILE  13  -3.268   2.592   2.592
   99   1HD1  ILE  13          3HD1      ILE  13   0.096   2.846   2.846
  100   2HD1  ILE  13          1HD1      ILE  13   1.019   3.718   3.718
  101   3HD1  ILE  13          2HD1      ILE  13   0.592   4.533   4.533
  102    H    CYS  14           H        CYS  14  -1.404   1.475   1.475
  103    HA   CYS  14           HA       CYS  14   0.204   2.846   2.846
  104   1HB   CYS  14          2HB       CYS  14  -1.281   1.742   1.742
  105   2HB   CYS  14          1HB       CYS  14  -1.432   0.359   0.359
  106    H    LYS  15           H        LYS  15   2.371   2.542   2.542
  107    HA   LYS  15           HA       LYS  15   3.045   0.300   0.300
  108   1HB   LYS  15          2HB       LYS  15   4.633   2.854   2.854
  109   2HB   LYS  15          1HB       LYS  15   4.784   1.625   1.625
  110   1HG   LYS  15          2HG       LYS  15   2.409   2.165   2.165
  111   2HG   LYS  15          1HG       LYS  15   2.395   3.482   3.482
  112   1HD   LYS  15          2HD       LYS  15   4.749   4.017   4.017
  113   2HD   LYS  15          1HD       LYS  15   3.838   3.259   3.259
  114   1HE   LYS  15          2HE       LYS  15   2.328   4.997   4.997
  115   2HE   LYS  15          1HE       LYS  15   2.291   5.253   5.253
  116   1HZ   LYS  15          1HZ       LYS  15   3.465   7.097   7.097
  117   2HZ   LYS  15          2HZ       LYS  15   4.735   6.099   6.099
  118    H    TYR  16           H        TYR  16   4.787  -1.048  -1.048
  119    HA   TYR  16           HA       TYR  16   6.499  -0.464  -0.464
  120   1HB   TYR  16          2HB       TYR  16   5.527  -2.347  -2.347
  121   2HB   TYR  16          1HB       TYR  16   4.433  -0.988  -0.988
  122    HD1  TYR  16           HD1      TYR  16   2.767  -1.184  -1.184
  123    HD2  TYR  16           HD2      TYR  16   4.656  -4.477  -4.477
  124    HE1  TYR  16           HE1      TYR  16   0.960  -2.750  -2.750
  125    HE2  TYR  16           HE2      TYR  16   2.843  -6.031  -6.031
  126    HH   TYR  16           HH       TYR  16  -0.012  -4.807  -4.807
  127    H    LYS  17           H        LYS  17   8.104  -2.164  -2.164
  128    HA   LYS  17           HA       LYS  17   8.432  -3.721  -3.721
  129   1HB   LYS  17          2HB       LYS  17  10.222  -2.287  -2.287
  130   2HB   LYS  17          1HB       LYS  17  10.339  -3.618  -3.618
  131   1HG   LYS  17          2HG       LYS  17  10.415  -4.972  -4.972
  132   2HG   LYS  17          1HG       LYS  17  11.210  -3.472  -3.472
  133   1HD   LYS  17          2HD       LYS  17  11.987  -5.268  -5.268
  134   2HD   LYS  17          1HD       LYS  17  12.838  -5.174  -5.174
  135   1HE   LYS  17          2HE       LYS  17  13.547  -2.909  -2.909
  136   2HE   LYS  17          1HE       LYS  17  12.393  -2.692  -2.692
  137   1HZ   LYS  17          1HZ       LYS  17  13.776  -4.726  -4.726
  138   2HZ   LYS  17          2HZ       LYS  17  14.956  -4.087  -4.087
  139    H    ALA  18           H        ALA  18   7.444  -5.660  -5.660
  140    HA   ALA  18           HA       ALA  18   6.307  -7.033  -7.033
  141   1HB   ALA  18          3HB       ALA  18   6.066  -7.280  -7.280
  142   2HB   ALA  18          1HB       ALA  18   7.456  -8.385  -8.385
  143   3HB   ALA  18          2HB       ALA  18   5.951  -8.753  -8.753
  144    H    GLN  19           H        GLN  19   6.941  -9.196  -9.196
  145    HA   GLN  19           HA       GLN  19   9.360  -8.986  -8.986
  146   1HB   GLN  19          2HB       GLN  19   8.797 -11.014 -11.014
  147   2HB   GLN  19          1HB       GLN  19   7.230 -10.402 -10.402
  148   1HG   GLN  19          2HG       GLN  19   7.352 -11.799 -11.799
  149   2HG   GLN  19          1HG       GLN  19   8.900 -12.430 -12.430
  150   1HE2  GLN  19          2HE2      GLN  19   7.025 -15.125 -15.125
  151   2HE2  GLN  19          1HE2      GLN  19   8.040 -14.520 -14.520
  152    H    SER  20           H        SER  20   8.443 -10.619 -10.619
  153    HA   SER  20           HA       SER  20  11.223 -11.458 -11.458
  154   1HB   SER  20          2HB       SER  20   9.902 -12.775 -12.775
  155   2HB   SER  20          1HB       SER  20  10.232 -13.457 -13.457
  156    HG   SER  20           HG       SER  20   8.150 -13.151 -13.151
  157    H    GLY  21           H        GLY  21   9.414  -8.863  -8.863
  158   1HA   GLY  21          1HA       GLY  21   9.756  -7.164  -7.164
  159   2HA   GLY  21          2HA       GLY  21  10.970  -8.117  -8.117
  160    H    LYS  22           H        LYS  22   8.006  -9.850  -9.850
  161    HA   LYS  22           HA       LYS  22   7.520  -9.792  -9.792
  162   1HB   LYS  22          2HB       LYS  22   7.363 -11.842 -11.842
  163   2HB   LYS  22          1HB       LYS  22   5.950 -11.155 -11.155
  164   1HG   LYS  22          2HG       LYS  22   4.838 -10.974 -10.974
  165   2HG   LYS  22          1HG       LYS  22   6.234 -11.747 -11.747
  166   1HD   LYS  22          2HD       LYS  22   5.680 -13.835 -13.835
  167   2HD   LYS  22          1HD       LYS  22   5.070 -13.203 -13.203
  168   1HE   LYS  22          2HE       LYS  22   3.321 -12.248 -12.248
  169   2HE   LYS  22          1HE       LYS  22   3.581 -13.956 -13.956
  170   1HZ   LYS  22          1HZ       LYS  22   3.183 -13.917 -13.917
  171   2HZ   LYS  22          2HZ       LYS  22   2.207 -12.694 -12.694
  172    H    THR  23           H        THR  23   5.455  -9.066  -9.066
  173    HA   THR  23           HA       THR  23   3.394  -7.864  -7.864
  174    HB   THR  23           HB       THR  23   4.146  -8.395  -8.395
  175    HG1  THR  23          1HG       THR  23   1.991  -8.580  -8.580
  176   1HG2  THR  23          1HG2      THR  23   4.845  -5.754  -5.754
  177   2HG2  THR  23          2HG2      THR  23   3.101  -5.586  -5.586
  178   3HG2  THR  23          3HG2      THR  23   4.146  -6.417  -6.417
  179    H    ALA  24           H        ALA  24   2.939  -5.307  -5.307
  180    HA   ALA  24           HA       ALA  24   5.072  -3.548  -3.548
  181   1HB   ALA  24          2HB       ALA  24   4.807  -4.751  -4.751
  182   2HB   ALA  24          3HB       ALA  24   3.463  -3.600  -3.600
  183   3HB   ALA  24          1HB       ALA  24   5.114  -3.001  -3.001
  184    H    ILE  25           H        ILE  25   3.206  -1.807  -1.807
  185    HA   ILE  25           HA       ILE  25   1.970  -0.430  -0.430
  186    HB   ILE  25           HB       ILE  25   1.028  -0.402  -0.402
  187   1HG1  ILE  25          2HG1      ILE  25   3.265  -0.299  -0.299
  188   2HG1  ILE  25          3HG1      ILE  25   2.930   1.396   1.396
  189   1HG2  ILE  25          3HG2      ILE  25   0.682   1.271   1.271
  190   2HG2  ILE  25          1HG2      ILE  25   1.335   2.186   2.186
  191   3HG2  ILE  25          2HG2      ILE  25  -0.188   1.280   1.280
  192   1HD1  ILE  25          3HD1      ILE  25   3.505   0.601   0.601
  193   2HD1  ILE  25          1HD1      ILE  25   4.522  -0.530  -0.530
  194   3HD1  ILE  25          2HD1      ILE  25   4.726   1.226   1.226
  195    H    CYS  26           H        CYS  26  -0.202  -0.289  -0.289
  196    HA   CYS  26           HA       CYS  26  -2.046  -2.278  -2.278
  197   1HB   CYS  26          2HB       CYS  26  -0.638  -3.349  -3.349
  198   2HB   CYS  26          1HB       CYS  26  -1.390  -2.228  -2.228
  199    H    LYS  27           H        LYS  27  -3.740  -0.909  -0.909
  200    HA   LYS  27           HA       LYS  27  -4.169   1.593   1.593
  201   1HB   LYS  27          2HB       LYS  27  -5.538   0.509   0.509
  202   2HB   LYS  27          1HB       LYS  27  -6.224  -0.581  -0.581
  203   1HG   LYS  27          2HG       LYS  27  -7.295   1.307   1.307
  204   2HG   LYS  27          1HG       LYS  27  -6.519   2.458   2.458
  205   1HD   LYS  27          2HD       LYS  27  -8.622   0.381   0.381
  206   2HD   LYS  27          1HD       LYS  27  -8.811   2.123   2.123
  207   1HE   LYS  27          2HE       LYS  27  -6.665   1.928   1.928
  208   2HE   LYS  27          1HE       LYS  27  -7.375   0.353   0.353
  209   1HZ   LYS  27          1HZ       LYS  27  -9.080   2.761   2.761
  210   2HZ   LYS  27          2HZ       LYS  27  -8.202   2.344   2.344
  211    H    CYS  28           H        CYS  28  -5.533   2.670   2.670
  212    HA   CYS  28           HA       CYS  28  -5.284   1.280   1.280
  213   1HB   CYS  28          2HB       CYS  28  -5.362   4.157   4.157
  214   2HB   CYS  28          1HB       CYS  28  -5.899   3.721   3.721
  215    H    TYR  29           H        TYR  29  -7.128   0.182   0.182
  216    HA   TYR  29           HA       TYR  29  -9.687   1.153   1.153
  217   1HB   TYR  29          2HB       TYR  29  -8.892  -1.277  -1.277
  218   2HB   TYR  29          1HB       TYR  29  -8.769  -1.307  -1.307
  219    HD1  TYR  29           HD2      TYR  29 -11.560   0.472   0.472
  220    HD2  TYR  29           HD1      TYR  29 -10.286  -3.230  -3.230
  221    HE1  TYR  29           HE2      TYR  29 -13.979  -0.294  -0.294
  222    HE2  TYR  29           HE1      TYR  29 -12.709  -3.984  -3.984
  223    HH   TYR  29           HH       TYR  29 -14.939  -3.196  -3.196
  224    H    VAL  30           H        VAL  30 -11.064   2.333   2.333
  225    HA   VAL  30           HA       VAL  30 -12.111   3.138   3.138
  226    HB   VAL  30           HB       VAL  30 -12.420   1.846   1.846
  227   1HG1  VAL  30          3HG1      VAL  30 -12.114   0.393   0.393
  228   2HG1  VAL  30          1HG1      VAL  30 -10.852  -0.370  -0.370
  229   3HG1  VAL  30          2HG1      VAL  30 -12.537  -0.334  -0.334
  230   1HG2  VAL  30          1HG2      VAL  30  -9.474   1.855   1.855
  231   2HG2  VAL  30          2HG2      VAL  30 -10.680   1.953   1.953
  232   3HG2  VAL  30          3HG2      VAL  30 -10.231   0.370   0.370
  233    H    LYS  31           H        LYS  31 -11.759   4.852   4.852
  234    HA   LYS  31           HA       LYS  31 -10.596   6.697   6.697
  235   1HB   LYS  31          2HB       LYS  31 -10.233   4.748   4.748
  236   2HB   LYS  31          1HB       LYS  31  -8.556   5.009   5.009
  237   1HG   LYS  31          2HG       LYS  31  -8.540   6.817   6.817
  238   2HG   LYS  31          1HG       LYS  31  -9.631   7.616   7.616
  239   1HD   LYS  31          2HD       LYS  31 -11.510   7.188   7.188
  240   2HD   LYS  31          1HD       LYS  31 -10.890   5.661   5.661
  241   1HE   LYS  31          2HE       LYS  31 -10.670   6.929   6.929
  242   2HE   LYS  31          1HE       LYS  31  -9.096   7.229   7.229
  243   1HZ   LYS  31          1HZ       LYS  31  -9.651   9.376   9.376
  244   2HZ   LYS  31          2HZ       LYS  31 -11.191   9.044   9.044
  245    H    LYS  32           H        LYS  32  -9.986   7.257   7.257
  246    HA   LYS  32           HA       LYS  32  -7.879   6.357   6.357
  247   1HB   LYS  32          2HB       LYS  32  -8.560   9.296   9.296
  248   2HB   LYS  32          1HB       LYS  32  -7.897   8.449   8.449
  249   1HG   LYS  32          2HG       LYS  32 -10.005   8.058   8.058
  250   2HG   LYS  32          1HG       LYS  32 -10.275   7.038   7.038
  251   1HD   LYS  32          2HD       LYS  32 -10.450   9.891   9.891
  252   2HD   LYS  32          1HD       LYS  32 -11.573   9.477   9.477
  253   1HE   LYS  32          2HE       LYS  32 -11.912   7.332   7.332
  254   2HE   LYS  32          1HE       LYS  32 -11.558   8.622   8.622
  255   1HZ   LYS  32          1HZ       LYS  32 -13.728   9.138   9.138
  256   2HZ   LYS  32          2HZ       LYS  32 -13.324   9.785   9.785
  257    H    CYS  33           H        CYS  33  -5.682   7.416   7.416
  258    HA   CYS  33           HA       CYS  33  -4.158   7.161   7.161
  259   1HB   CYS  33          2HB       CYS  33  -2.939   6.844   6.844
  260   2HB   CYS  33          1HB       CYS  33  -3.702   8.165   8.165
  261    HA   PRO  34           HA       PRO  34  -4.621  11.086  11.086
  262   1HB   PRO  34          2HB       PRO  34  -2.439  11.134  11.134
  263   2HB   PRO  34          1HB       PRO  34  -3.922  10.290  10.290
  264   1HG   PRO  34          2HG       PRO  34  -1.337   9.170   9.170
  265   2HG   PRO  34          1HG       PRO  34  -2.668   8.357   8.357
  266   1HD   PRO  34          2HD       PRO  34  -1.996   8.219   8.219
  267   2HD   PRO  34          1HD       PRO  34  -3.392   7.500   7.500
  268    H    ARG  35           H        ARG  35  -1.410  10.384  10.384
  269    HA   ARG  35           HA       ARG  35  -1.470  12.664  12.664
  270   1HB   ARG  35          2HB       ARG  35   0.412  13.937  13.937
  271   2HB   ARG  35          1HB       ARG  35  -1.095  13.958  13.958
  272   1HG   ARG  35          2HG       ARG  35  -0.093  11.790  11.790
  273   2HG   ARG  35          1HG       ARG  35   1.438  12.411  12.411
  274   1HD   ARG  35          2HD       ARG  35   0.143  14.672  14.672
  275   2HD   ARG  35          1HD       ARG  35  -0.223  13.371  13.371
  276    HE   ARG  35           HE       ARG  35   2.549  13.203  13.203
  277   1HH1  ARG  35          2HH2      ARG  35   0.339  15.333  15.333
  278   2HH1  ARG  35          1HH2      ARG  35   1.563  15.912  15.912
  279    HH2  ARG  35          1HH       ARG  35   3.806  15.095  15.095
  280    H    ASP  36           H        ASP  36   0.200  12.529  12.529
  281    HA   ASP  36           HA       ASP  36   1.296  10.237  10.237
  282   1HB   ASP  36          2HB       ASP  36   1.838  11.765  11.765
  283   2HB   ASP  36          1HB       ASP  36   2.026  13.067  13.067
  284    HD2  ASP  36          2HD       ASP  36   5.363  13.051  13.051
  285    H    GLY  37           H        GLY  37   3.025   8.904   8.904
  286   1HA   GLY  37          1HA       GLY  37   5.079   8.470   8.470
  287   2HA   GLY  37          2HA       GLY  37   5.037  10.017  10.017
  288    H    ALA  38           H        ALA  38   2.035   9.368   9.368
  289    HA   ALA  38           HA       ALA  38   2.289   8.733   8.733
  290   1HB   ALA  38          2HB       ALA  38   0.115   8.028   8.028
  291   2HB   ALA  38          3HB       ALA  38  -0.069   7.770   7.770
  292   3HB   ALA  38          1HB       ALA  38   0.177   9.414   9.414
  293    H    LYS  39           H        LYS  39   3.150   7.065   7.065
  294    HA   LYS  39           HA       LYS  39   4.008   4.731   4.731
  295   1HB   LYS  39          2HB       LYS  39   5.068   5.784   5.784
  296   2HB   LYS  39          1HB       LYS  39   3.714   5.238   5.238
  297   1HG   LYS  39          2HG       LYS  39   4.336   2.877   2.877
  298   2HG   LYS  39          1HG       LYS  39   5.915   3.632   3.632
  299   1HD   LYS  39          2HD       LYS  39   5.887   2.467   2.467
  300   2HD   LYS  39          1HD       LYS  39   5.673   4.156   4.156
  301   1HE   LYS  39          2HE       LYS  39   3.145   2.650   2.650
  302   2HE   LYS  39          1HE       LYS  39   4.033   2.136   2.136
  303   1HZ   LYS  39          1HZ       LYS  39   3.337   3.976   3.976
  304   2HZ   LYS  39          2HZ       LYS  39   3.957   4.963   4.963
  305    H    CYS  40           H        CYS  40   3.263   2.544   2.544
  306    HA   CYS  40           HA       CYS  40   0.759   2.083   2.083
  307   1HB   CYS  40          2HB       CYS  40  -0.138   1.122   1.122
  308   2HB   CYS  40          1HB       CYS  40  -0.436   2.776   2.776
  309    H    GLU  41           H        GLU  41   0.136  -0.354  -0.354
  310    HA   GLU  41           HA       GLU  41   2.540  -1.858  -1.858
  311   1HB   GLU  41          2HB       GLU  41   1.810  -3.418  -3.418
  312   2HB   GLU  41          1HB       GLU  41   2.681  -1.944  -1.944
  313   1HG   GLU  41          2HG       GLU  41   0.437  -0.789  -0.789
  314   2HG   GLU  41          1HG       GLU  41  -0.343  -2.344  -2.344
  315    HE2  GLU  41          2HE       GLU  41  -0.430  -2.246  -2.246
  316    H    PHE  42           H        PHE  42   2.134  -4.035  -4.035
  317    HA   PHE  42           HA       PHE  42  -0.592  -4.290  -4.290
  318   1HB   PHE  42          2HB       PHE  42   1.339  -4.237  -4.237
  319   2HB   PHE  42          1HB       PHE  42   2.135  -5.522  -5.522
  320    HD1  PHE  42          2HD       PHE  42  -0.631  -4.723  -4.723
  321    HD2  PHE  42          1HD       PHE  42   1.470  -7.820  -7.820
  322    HE1  PHE  42          2HE       PHE  42  -1.748  -6.426  -6.426
  323    HE2  PHE  42          1HE       PHE  42   0.354  -9.524  -9.524
  324    HZ   PHE  42           HZ       PHE  42  -1.242  -8.807  -8.807
  325    H    ASP  43           H        ASP  43  -1.873  -5.518  -5.518
  326    HA   ASP  43           HA       ASP  43  -0.724  -7.478  -7.478
  327   1HB   ASP  43          2HB       ASP  43  -3.505  -6.499  -6.499
  328   2HB   ASP  43          1HB       ASP  43  -3.354  -8.048  -8.048
  329    HD2  ASP  43          2HD       ASP  43  -3.660  -6.403  -6.403
  330    H    SER  44           H        SER  44  -0.492  -9.694  -9.694
  331    HA   SER  44           HA       SER  44  -1.336 -10.529 -10.529
  332   1HB   SER  44          2HB       SER  44   0.295 -12.200 -12.200
  333   2HB   SER  44          1HB       SER  44   1.007 -10.925 -10.925
  334    HG   SER  44           HG       SER  44  -0.456 -13.227 -13.227
  335    H    TYR  45           H        TYR  45  -3.334 -10.072 -10.072
  336    HA   TYR  45           HA       TYR  45  -4.260 -12.839 -12.839
  337   1HB   TYR  45          2HB       TYR  45  -5.284 -10.379 -10.379
  338   2HB   TYR  45          1HB       TYR  45  -5.166 -12.021 -12.021
  339    HD1  TYR  45           HD1      TYR  45  -2.232 -12.493 -12.493
  340    HD2  TYR  45           HD2      TYR  45  -4.190  -9.255  -9.255
  341    HE1  TYR  45           HE1      TYR  45  -0.061 -11.901 -11.901
  342    HE2  TYR  45           HE2      TYR  45  -2.012  -8.674  -8.674
  343    HH   TYR  45           HH       TYR  45   0.014  -9.413  -9.413
  344    H    LYS  46           H        LYS  46  -4.892  -9.667  -9.667
  345    HA   LYS  46           HA       LYS  46  -7.463 -10.706 -10.706
  346   1HB   LYS  46          2HB       LYS  46  -7.008  -7.833  -7.833
  347   2HB   LYS  46          1HB       LYS  46  -8.508  -8.558  -8.558
  348   1HG   LYS  46          2HG       LYS  46  -7.954 -10.258 -10.258
  349   2HG   LYS  46          1HG       LYS  46  -7.098  -8.849  -8.849
  350   1HD   LYS  46          2HD       LYS  46  -9.032  -7.709  -7.709
  351   2HD   LYS  46          1HD       LYS  46  -9.781  -8.189  -8.189
  352   1HE   LYS  46          2HE       LYS  46  -9.654 -10.591 -10.591
  353   2HE   LYS  46          1HE       LYS  46 -10.045  -9.390  -9.390
  354   1HZ   LYS  46          1HZ       LYS  46 -12.122  -9.901  -9.901
  355   2HZ   LYS  46          2HZ       LYS  46 -11.768  -8.627  -8.627
  356    H    GLY  47           H        GLY  47  -4.922  -8.146  -8.146
  357   1HA   GLY  47          1HA       GLY  47  -3.657  -8.220  -8.220
  358   2HA   GLY  47          2HA       GLY  47  -5.141  -8.610  -8.610
  359    H    LYS  48           H        LYS  48  -5.444  -6.341  -6.341
  360    HA   LYS  48           HA       LYS  48  -6.104  -4.268  -4.268
  361   1HB   LYS  48          2HB       LYS  48  -6.336  -4.405  -4.405
  362   2HB   LYS  48          1HB       LYS  48  -6.886  -3.065  -3.065
  363   1HG   LYS  48          2HG       LYS  48  -8.053  -5.220  -5.220
  364   2HG   LYS  48          1HG       LYS  48  -8.086  -5.762  -5.762
  365   1HD   LYS  48          2HD       LYS  48  -9.037  -2.975  -2.975
  366   2HD   LYS  48          1HD       LYS  48 -10.107  -4.359  -4.359
  367   1HE   LYS  48          2HE       LYS  48  -8.567  -3.813  -3.813
  368   2HE   LYS  48          1HE       LYS  48 -10.048  -2.939  -2.939
  369   1HZ   LYS  48          1HZ       LYS  48  -9.992  -5.889  -5.889
  370   2HZ   LYS  48          2HZ       LYS  48 -10.228  -5.157  -5.157
  371    H    CYS  49           H        CYS  49  -5.408  -1.951  -1.951
  372    HA   CYS  49           HA       CYS  49  -2.532  -2.156  -2.156
  373   1HB   CYS  49          2HB       CYS  49  -3.529   0.095   0.095
  374   2HB   CYS  49          1HB       CYS  49  -1.930  -0.616  -0.616
  375    H    TYR  50           H        TYR  50  -3.079  -1.809  -1.809
  376    HA   TYR  50           HA       TYR  50  -4.773   0.124   0.124
  377   1HB   TYR  50          2HB       TYR  50  -2.131  -1.158  -1.158
  378   2HB   TYR  50          1HB       TYR  50  -2.944  -0.024  -0.024
  379    HD1  TYR  50           HD2      TYR  50  -3.280  -3.312  -3.312
  380    HD2  TYR  50           HD1      TYR  50  -4.849  -0.676  -0.676
  381    HE1  TYR  50           HE2      TYR  50  -4.736  -5.190  -5.190
  382    HE2  TYR  50           HE1      TYR  50  -6.300  -2.563  -2.563
  383    HH   TYR  50           HH       TYR  50  -7.031  -5.211  -5.211
  384    H    CYS  51           H        CYS  51  -4.800   2.257   2.257
  385    HA   CYS  51           HA       CYS  51  -2.205   3.571   3.571
  386   1HB   CYS  51          2HB       CYS  51  -4.664   5.010   5.010
  387   2HB   CYS  51          1HB       CYS  51  -3.085   4.961   4.961

  Start of MODEL   12
    1    H    ALA   1           H        ALA   1   3.050 -10.646 -10.646
    2    HA   ALA   1           HA       ALA   1   4.555 -10.688 -10.688
    3   1HB   ALA   1          3HB       ALA   1   2.412 -12.462 -12.462
    4   2HB   ALA   1          1HB       ALA   1   3.405 -11.772 -11.772
    5   3HB   ALA   1          2HB       ALA   1   4.176 -12.698 -12.698
    6    H    THR   2           H        THR   2   2.245  -8.583  -8.583
    7    HA   THR   2           HA       THR   2   1.722  -7.495  -7.495
    8    HB   THR   2           HB       THR   2   2.080  -5.743  -5.743
    9    HG1  THR   2          1HG       THR   2   0.052  -7.825  -7.825
   10   1HG2  THR   2          1HG2      THR   2   0.620  -5.560  -5.560
   11   2HG2  THR   2          2HG2      THR   2  -0.592  -6.120  -6.120
   12   3HG2  THR   2          3HG2      THR   2   0.305  -4.611  -4.611
   13    H    TYR   3           H        TYR   3   2.638  -5.798  -5.798
   14    HA   TYR   3           HA       TYR   3   5.525  -5.573  -5.573
   15   1HB   TYR   3          2HB       TYR   3   3.650  -4.977  -4.977
   16   2HB   TYR   3          1HB       TYR   3   5.397  -4.865  -4.865
   17    HD1  TYR   3           HD1      TYR   3   5.543  -7.497  -7.497
   18    HD2  TYR   3           HD2      TYR   3   3.770  -6.536  -6.536
   19    HE1  TYR   3           HE1      TYR   3   5.666  -9.941  -9.941
   20    HE2  TYR   3           HE2      TYR   3   3.899  -8.983  -8.983
   21    HH   TYR   3           HH       TYR   3   4.838 -10.937 -10.937
   22    H    ASN   4           H        ASN   4   6.214  -3.314  -3.314
   23    HA   ASN   4           HA       ASN   4   4.491  -1.215  -1.215
   24   1HB   ASN   4          2HB       ASN   4   7.489  -1.131  -1.131
   25   2HB   ASN   4          1HB       ASN   4   6.247  -0.092  -0.092
   26   1HD2  ASN   4          2HD2      ASN   4   4.856  -2.725  -2.725
   27   2HD2  ASN   4          1HD2      ASN   4   4.334  -1.582  -1.582
   28    H    GLY   5           H        GLY   5   4.904   0.841   0.841
   29   1HA   GLY   5          1HA       GLY   5   7.046   1.143   1.143
   30   2HA   GLY   5          2HA       GLY   5   5.602   0.605   0.605
   31    H    LYS   6           H        LYS   6   4.657   2.347   2.347
   32    HA   LYS   6           HA       LYS   6   3.883   4.554   4.554
   33   1HB   LYS   6          2HB       LYS   6   5.559   5.038   5.038
   34   2HB   LYS   6          1HB       LYS   6   4.832   6.265   6.265
   35   1HG   LYS   6          2HG       LYS   6   6.179   5.426   5.426
   36   2HG   LYS   6          1HG       LYS   6   6.923   4.229   4.229
   37   1HD   LYS   6          2HD       LYS   6   7.559   6.305   6.305
   38   2HD   LYS   6          1HD       LYS   6   7.236   7.245   7.245
   39   1HE   LYS   6          2HE       LYS   6   8.908   4.877   4.877
   40   2HE   LYS   6          1HE       LYS   6   9.645   5.937   5.937
   41   1HZ   LYS   6          1HZ       LYS   6   8.849   6.608   6.608
   42   2HZ   LYS   6          2HZ       LYS   6  10.301   6.818   6.818
   43    H    CYS   7           H        CYS   7   2.259   5.967   5.967
   44    HA   CYS   7           HA       CYS   7   0.986   4.516   4.516
   45   1HB   CYS   7          2HB       CYS   7  -1.202   5.421   5.421
   46   2HB   CYS   7          1HB       CYS   7  -0.483   3.913   3.913
   47    H    TYR   8           H        TYR   8  -0.340   5.970   5.970
   48    HA   TYR   8           HA       TYR   8   0.616   8.748   8.748
   49   1HB   TYR   8          2HB       TYR   8  -0.274   6.942   6.942
   50   2HB   TYR   8          1HB       TYR   8   0.225   8.610   8.610
   51    HD1  TYR   8           HD1      TYR   8   2.642   8.985   8.985
   52    HD2  TYR   8           HD2      TYR   8   1.307   5.446   5.446
   53    HE1  TYR   8           HE1      TYR   8   5.052   8.224   8.224
   54    HE2  TYR   8           HE2      TYR   8   3.721   4.697   4.697
   55    HH   TYR   8           HH       TYR   8   6.303   6.757   6.757
   56    H    LYS   9           H        LYS   9  -0.872  10.398  10.398
   57    HA   LYS   9           HA       LYS   9  -3.602   9.656   9.656
   58   1HB   LYS   9          2HB       LYS   9  -3.938  12.031  12.031
   59   2HB   LYS   9          1HB       LYS   9  -2.557  11.421  11.421
   60   1HG   LYS   9          2HG       LYS   9  -1.016  12.331  12.331
   61   2HG   LYS   9          1HG       LYS   9  -2.384  12.905  12.905
   62   1HD   LYS   9          2HD       LYS   9  -2.218  13.775  13.775
   63   2HD   LYS   9          1HD       LYS   9  -1.071  14.485  14.485
   64   1HE   LYS   9          2HE       LYS   9  -3.355  14.742  14.742
   65   2HE   LYS   9          1HE       LYS   9  -4.050  14.802  14.802
   66   1HZ   LYS   9          1HZ       LYS   9  -1.837  16.441  16.441
   67   2HZ   LYS   9          2HZ       LYS   9  -2.499  16.792  16.792
   68    H    LYS  10           H        LYS  10  -1.715  11.451  11.451
   69    HA   LYS  10           HA       LYS  10  -3.813  12.143  12.143
   70   1HB   LYS  10          2HB       LYS  10  -1.144  12.500  12.500
   71   2HB   LYS  10          1HB       LYS  10  -1.279  11.260  11.260
   72   1HG   LYS  10          2HG       LYS  10  -3.166  12.682  12.682
   73   2HG   LYS  10          1HG       LYS  10  -2.696  13.959  13.959
   74   1HD   LYS  10          2HD       LYS  10  -0.377  13.920  13.920
   75   2HD   LYS  10          1HD       LYS  10  -0.825  12.621  12.621
   76   1HE   LYS  10          2HE       LYS  10  -2.785  14.417  14.417
   77   2HE   LYS  10          1HE       LYS  10  -1.534  15.533  15.533
   78   1HZ   LYS  10          1HZ       LYS  10  -0.254  15.000  15.000
   79   2HZ   LYS  10          2HZ       LYS  10  -0.628  13.415  13.415
   80    H    ASP  11           H        ASP  11  -1.902   9.066   9.066
   81    HA   ASP  11           HA       ASP  11  -3.698   7.982   7.982
   82   1HB   ASP  11          2HB       ASP  11  -1.010   7.473   7.473
   83   2HB   ASP  11          1HB       ASP  11  -1.930   6.007   6.007
   84    HD1  ASP  11          2HD       ASP  11  -3.208   7.247   7.247
   85    H    ASN  12           H        ASN  12  -3.578   8.424   8.424
   86    HA   ASN  12           HA       ASN  12  -4.398   7.405   7.405
   87   1HB   ASN  12          2HB       ASN  12  -6.444   8.277   8.277
   88   2HB   ASN  12          1HB       ASN  12  -6.670   6.664   6.664
   89   1HD2  ASN  12          2HD2      ASN  12  -8.914   6.308   6.308
   90   2HD2  ASN  12          1HD2      ASN  12  -8.722   6.662   6.662
   91    H    ILE  13           H        ILE  13  -2.536   5.670   5.670
   92    HA   ILE  13           HA       ILE  13  -3.876   3.067   3.067
   93    HB   ILE  13           HB       ILE  13  -2.158   2.172   2.172
   94   1HG1  ILE  13          2HG1      ILE  13  -0.930   3.919   3.919
   95   2HG1  ILE  13          3HG1      ILE  13  -1.281   5.058   5.058
   96   1HG2  ILE  13          3HG2      ILE  13  -4.423   3.718   3.718
   97   2HG2  ILE  13          1HG2      ILE  13  -3.162   4.149   4.149
   98   3HG2  ILE  13          2HG2      ILE  13  -3.641   2.447   2.447
   99   1HD1  ILE  13          1HD1      ILE  13  -0.178   2.458   2.458
  100   2HD1  ILE  13          2HD1      ILE  13   0.932   3.430   3.430
  101   3HD1  ILE  13          3HD1      ILE  13   0.239   4.116   4.116
  102    H    CYS  14           H        CYS  14  -2.015   1.328   1.328
  103    HA   CYS  14           HA       CYS  14  -0.358   2.545   2.545
  104   1HB   CYS  14          2HB       CYS  14  -2.472   0.568   0.568
  105   2HB   CYS  14          1HB       CYS  14  -0.940  -0.040  -0.040
  106    H    LYS  15           H        LYS  15   1.746   2.253   2.253
  107    HA   LYS  15           HA       LYS  15   2.331  -0.097  -0.097
  108   1HB   LYS  15          2HB       LYS  15   4.203   1.080   1.080
  109   2HB   LYS  15          1HB       LYS  15   2.881   2.229   2.229
  110   1HG   LYS  15          2HG       LYS  15   3.859   3.544   3.544
  111   2HG   LYS  15          1HG       LYS  15   4.422   2.168   2.168
  112   1HD   LYS  15          2HD       LYS  15   6.204   3.687   3.687
  113   2HD   LYS  15          1HD       LYS  15   6.407   1.949   1.949
  114   1HE   LYS  15          2HE       LYS  15   5.879   1.859   1.859
  115   2HE   LYS  15          1HE       LYS  15   4.766   3.210   3.210
  116   1HZ   LYS  15          1HZ       LYS  15   6.930   3.687   3.687
  117   2HZ   LYS  15          2HZ       LYS  15   6.592   4.733   4.733
  118    H    TYR  16           H        TYR  16   4.235  -1.408  -1.408
  119    HA   TYR  16           HA       TYR  16   5.721  -1.104  -1.104
  120   1HB   TYR  16          2HB       TYR  16   4.564  -2.977  -2.977
  121   2HB   TYR  16          1HB       TYR  16   3.536  -1.571  -1.571
  122    HD1  TYR  16           HD1      TYR  16   1.678  -1.597  -1.597
  123    HD2  TYR  16           HD2      TYR  16   3.977  -5.091  -5.091
  124    HE1  TYR  16           HE1      TYR  16  -0.119  -3.058  -3.058
  125    HE2  TYR  16           HE2      TYR  16   2.173  -6.540  -6.540
  126    HH   TYR  16           HH       TYR  16  -0.905  -5.251  -5.251
  127    H    LYS  17           H        LYS  17   7.100  -3.037  -3.037
  128    HA   LYS  17           HA       LYS  17   7.714  -4.323  -4.323
  129   1HB   LYS  17          2HB       LYS  17   9.020  -3.859  -3.859
  130   2HB   LYS  17          1HB       LYS  17   9.373  -5.427  -5.427
  131   1HG   LYS  17          2HG       LYS  17  10.460  -4.526  -4.526
  132   2HG   LYS  17          1HG       LYS  17   9.468  -3.082  -3.082
  133   1HD   LYS  17          2HD       LYS  17  10.865  -2.959  -2.959
  134   2HD   LYS  17          1HD       LYS  17  12.051  -3.531  -3.531
  135   1HE   LYS  17          2HE       LYS  17  10.871  -1.535  -1.535
  136   2HE   LYS  17          1HE       LYS  17  10.656  -0.888  -0.888
  137   1HZ   LYS  17          1HZ       LYS  17  13.301  -1.940  -1.940
  138   2HZ   LYS  17          2HZ       LYS  17  12.875  -0.464  -0.464
  139    H    ALA  18           H        ALA  18   6.939  -6.240  -6.240
  140    HA   ALA  18           HA       ALA  18   5.242  -7.741  -7.741
  141   1HB   ALA  18          1HB       ALA  18   5.506  -7.295  -7.295
  142   2HB   ALA  18          2HB       ALA  18   5.745  -9.037  -9.037
  143   3HB   ALA  18          3HB       ALA  18   4.258  -8.240  -8.240
  144    H    GLN  19           H        GLN  19   5.510 -10.174 -10.174
  145    HA   GLN  19           HA       GLN  19   7.742 -10.826 -10.826
  146   1HB   GLN  19          2HB       GLN  19   6.996 -13.050 -13.050
  147   2HB   GLN  19          1HB       GLN  19   5.529 -12.157 -12.157
  148   1HG   GLN  19          2HG       GLN  19   5.468 -13.737 -13.737
  149   2HG   GLN  19          1HG       GLN  19   6.287 -12.419 -12.419
  150   1HE2  GLN  19          2HE2      GLN  19   8.605 -15.538 -15.538
  151   2HE2  GLN  19          1HE2      GLN  19   7.253 -14.912 -14.912
  152    H    SER  20           H        SER  20   7.242 -10.845 -10.845
  153    HA   SER  20           HA       SER  20   9.422 -12.324 -12.324
  154   1HB   SER  20          2HB       SER  20   9.294 -10.468 -10.468
  155   2HB   SER  20          1HB       SER  20   8.235 -11.859 -11.859
  156    HG   SER  20           HG       SER  20   6.620 -10.474 -10.474
  157    H    GLY  21           H        GLY  21   9.139  -8.744  -8.744
  158   1HA   GLY  21          1HA       GLY  21  11.077  -7.862  -7.862
  159   2HA   GLY  21          2HA       GLY  21  12.093  -8.621  -8.621
  160    H    LYS  22           H        LYS  22   9.405  -7.759  -7.759
  161    HA   LYS  22           HA       LYS  22  10.740  -5.419  -5.419
  162   1HB   LYS  22          2HB       LYS  22   9.813  -7.193  -7.193
  163   2HB   LYS  22          1HB       LYS  22   8.200  -6.800  -6.800
  164   1HG   LYS  22          2HG       LYS  22   9.075  -4.296  -4.296
  165   2HG   LYS  22          1HG       LYS  22  10.003  -5.264  -5.264
  166   1HD   LYS  22          2HD       LYS  22   7.849  -6.422  -6.422
  167   2HD   LYS  22          1HD       LYS  22   6.968  -5.318  -5.318
  168   1HE   LYS  22          2HE       LYS  22   8.748  -4.483  -4.483
  169   2HE   LYS  22          1HE       LYS  22   6.997  -4.549  -4.549
  170   1HZ   LYS  22          1HZ       LYS  22   7.961  -3.005  -3.005
  171   2HZ   LYS  22          2HZ       LYS  22   8.474  -2.394  -2.394
  172    H    THR  23           H        THR  23   7.360  -5.173  -5.173
  173    HA   THR  23           HA       THR  23   6.784  -3.787  -3.787
  174    HB   THR  23           HB       THR  23   7.549  -2.294  -2.294
  175    HG1  THR  23          1HG       THR  23   9.125  -2.254  -2.254
  176   1HG2  THR  23          2HG2      THR  23   5.699  -1.381  -1.381
  177   2HG2  THR  23          3HG2      THR  23   6.580  -0.251  -0.251
  178   3HG2  THR  23          1HG2      THR  23   5.357  -1.343  -1.343
  179    H    ALA  24           H        ALA  24   4.624  -3.749  -3.749
  180    HA   ALA  24           HA       ALA  24   2.925  -4.436  -4.436
  181   1HB   ALA  24          3HB       ALA  24   3.253  -5.692  -5.692
  182   2HB   ALA  24          1HB       ALA  24   1.576  -5.474  -5.474
  183   3HB   ALA  24          2HB       ALA  24   2.726  -6.407  -6.407
  184    H    ILE  25           H        ILE  25   1.181  -3.111  -3.111
  185    HA   ILE  25           HA       ILE  25   0.751  -1.064  -1.064
  186    HB   ILE  25           HB       ILE  25  -0.071  -0.850  -0.850
  187   1HG1  ILE  25          2HG1      ILE  25   2.667  -0.520  -0.520
  188   2HG1  ILE  25          3HG1      ILE  25   2.189  -1.239  -1.239
  189   1HG2  ILE  25          1HG2      ILE  25  -0.630   0.717   0.717
  190   2HG2  ILE  25          2HG2      ILE  25   0.820   1.513   1.513
  191   3HG2  ILE  25          3HG2      ILE  25  -0.609   1.273   1.273
  192   1HD1  ILE  25          3HD1      ILE  25   1.320   1.229   1.229
  193   2HD1  ILE  25          1HD1      ILE  25   2.505   1.672   1.672
  194   3HD1  ILE  25          2HD1      ILE  25   3.035   0.802   0.802
  195    H    CYS  26           H        CYS  26  -1.373  -0.586  -0.586
  196    HA   CYS  26           HA       CYS  26  -3.460  -2.316  -2.316
  197   1HB   CYS  26          2HB       CYS  26  -2.379  -3.399  -3.399
  198   2HB   CYS  26          1HB       CYS  26  -2.978  -2.058  -2.058
  199    H    LYS  27           H        LYS  27  -4.727  -0.657  -0.657
  200    HA   LYS  27           HA       LYS  27  -4.836   1.924   1.924
  201   1HB   LYS  27          2HB       LYS  27  -7.319   1.722   1.722
  202   2HB   LYS  27          1HB       LYS  27  -5.979   1.503   1.503
  203   1HG   LYS  27          2HG       LYS  27  -6.231  -0.847  -0.847
  204   2HG   LYS  27          1HG       LYS  27  -7.060  -0.906  -0.906
  205   1HD   LYS  27          2HD       LYS  27  -8.192   0.181   0.181
  206   2HD   LYS  27          1HD       LYS  27  -8.665  -1.307  -1.307
  207   1HE   LYS  27          2HE       LYS  27  -9.177   0.312   0.312
  208   2HE   LYS  27          1HE       LYS  27  -9.244   1.547   1.547
  209   1HZ   LYS  27          1HZ       LYS  27 -11.401   0.320   0.320
  210   2HZ   LYS  27          2HZ       LYS  27 -11.025   0.438   0.438
  211    H    CYS  28           H        CYS  28  -5.876   3.198   3.198
  212    HA   CYS  28           HA       CYS  28  -6.414   1.928   1.928
  213   1HB   CYS  28          2HB       CYS  28  -5.950   4.553   4.553
  214   2HB   CYS  28          1HB       CYS  28  -7.517   4.590   4.590
  215    H    TYR  29           H        TYR  29  -8.245   0.744   0.744
  216    HA   TYR  29           HA       TYR  29 -10.710   1.557   1.557
  217   1HB   TYR  29          2HB       TYR  29 -11.161  -0.781  -0.781
  218   2HB   TYR  29          1HB       TYR  29  -9.410  -0.814  -0.814
  219    HD1  TYR  29           HD1      TYR  29  -8.161  -1.033  -1.033
  220    HD2  TYR  29           HD2      TYR  29 -12.309  -1.936  -1.936
  221    HE1  TYR  29           HE1      TYR  29  -8.126  -2.460  -2.460
  222    HE2  TYR  29           HE2      TYR  29 -12.261  -3.360  -3.360
  223    HH   TYR  29           HH       TYR  29  -9.237  -4.033  -4.033
  224    H    VAL  30           H        VAL  30  -9.262   2.311   2.311
  225    HA   VAL  30           HA       VAL  30 -11.764   2.106   2.106
  226    HB   VAL  30           HB       VAL  30 -10.136   1.936   1.936
  227   1HG1  VAL  30          2HG1      VAL  30 -11.141  -0.208  -0.208
  228   2HG1  VAL  30          3HG1      VAL  30 -10.063  -0.675  -0.675
  229   3HG1  VAL  30          1HG1      VAL  30 -11.592   0.169   0.169
  230   1HG2  VAL  30          2HG2      VAL  30  -8.164   2.109   2.109
  231   2HG2  VAL  30          3HG2      VAL  30  -8.017   1.100   1.100
  232   3HG2  VAL  30          1HG2      VAL  30  -8.415   0.349   0.349
  233    H    LYS  31           H        LYS  31  -8.942   3.412   3.412
  234    HA   LYS  31           HA       LYS  31 -10.115   6.050   6.050
  235   1HB   LYS  31          2HB       LYS  31  -8.688   4.590   4.590
  236   2HB   LYS  31          1HB       LYS  31  -7.694   5.967   5.967
  237   1HG   LYS  31          2HG       LYS  31  -9.740   7.454   7.454
  238   2HG   LYS  31          1HG       LYS  31 -10.623   6.055   6.055
  239   1HD   LYS  31          2HD       LYS  31  -9.853   6.562   6.562
  240   2HD   LYS  31          1HD       LYS  31  -8.283   5.996   5.996
  241   1HE   LYS  31          2HE       LYS  31  -7.953   8.225   8.225
  242   2HE   LYS  31          1HE       LYS  31  -7.805   8.344   8.344
  243   1HZ   LYS  31          1HZ       LYS  31  -9.836   9.467   9.467
  244   2HZ   LYS  31          2HZ       LYS  31  -9.362   9.953   9.953
  245    H    LYS  32           H        LYS  32  -9.648   7.195   7.195
  246    HA   LYS  32           HA       LYS  32  -7.725   6.765   6.765
  247   1HB   LYS  32          2HB       LYS  32  -9.439   8.377   8.377
  248   2HB   LYS  32          1HB       LYS  32  -8.922   9.373   9.373
  249   1HG   LYS  32          2HG       LYS  32  -6.714   9.750   9.750
  250   2HG   LYS  32          1HG       LYS  32  -7.319   8.835   8.835
  251   1HD   LYS  32          2HD       LYS  32  -7.562  11.345  11.345
  252   2HD   LYS  32          1HD       LYS  32  -9.063  10.461  10.461
  253   1HE   LYS  32          2HE       LYS  32  -9.907  11.164  11.164
  254   2HE   LYS  32          1HE       LYS  32  -8.313  11.469  11.469
  255   1HZ   LYS  32          1HZ       LYS  32  -8.135  13.457  13.457
  256   2HZ   LYS  32          2HZ       LYS  32  -9.377  13.089  13.089
  257    H    CYS  33           H        CYS  33  -5.604   7.706   7.706
  258    HA   CYS  33           HA       CYS  33  -3.931   7.544   7.544
  259   1HB   CYS  33          2HB       CYS  33  -2.905   6.742   6.742
  260   2HB   CYS  33          1HB       CYS  33  -3.559   7.990   7.990
  261    HA   PRO  34           HA       PRO  34  -3.958  11.780  11.780
  262   1HB   PRO  34          2HB       PRO  34  -1.691  11.938  11.938
  263   2HB   PRO  34          1HB       PRO  34  -3.216  11.336  11.336
  264   1HG   PRO  34          2HG       PRO  34  -0.793   9.819   9.819
  265   2HG   PRO  34          1HG       PRO  34  -2.142   9.309   9.309
  266   1HD   PRO  34          2HD       PRO  34  -1.642   8.566   8.566
  267   2HD   PRO  34          1HD       PRO  34  -3.049   8.151   8.151
  268    H    ARG  35           H        ARG  35  -0.905  10.537  10.537
  269    HA   ARG  35           HA       ARG  35  -0.829  12.344  12.344
  270   1HB   ARG  35          2HB       ARG  35   0.998  13.892  13.892
  271   2HB   ARG  35          1HB       ARG  35  -0.467  14.107  14.107
  272   1HG   ARG  35          2HG       ARG  35   0.862  12.134  12.134
  273   2HG   ARG  35          1HG       ARG  35   2.192  13.110  13.110
  274   1HD   ARG  35          2HD       ARG  35   0.546  15.118  15.118
  275   2HD   ARG  35          1HD       ARG  35  -0.025  13.861  13.861
  276    HE   ARG  35           HE       ARG  35   2.896  14.052  14.052
  277   1HH1  ARG  35          2HH2      ARG  35  -0.034  15.323  15.323
  278   2HH1  ARG  35          1HH2      ARG  35   0.794  15.858  15.858
  279    HH2  ARG  35          1HH       ARG  35   3.160  15.516  15.516
  280    H    ASP  36           H        ASP  36   1.119  12.026  12.026
  281    HA   ASP  36           HA       ASP  36   2.089   9.556   9.556
  282   1HB   ASP  36          2HB       ASP  36   2.549  11.044  11.044
  283   2HB   ASP  36          1HB       ASP  36   3.355  12.203  12.203
  284    HD2  ASP  36          2HD       ASP  36   4.216   9.887   9.887
  285    H    GLY  37           H        GLY  37   3.784   8.373   8.373
  286   1HA   GLY  37          1HA       GLY  37   5.812   8.211   8.211
  287   2HA   GLY  37          2HA       GLY  37   5.591   9.829   9.829
  288    H    ALA  38           H        ALA  38   2.676   9.348   9.348
  289    HA   ALA  38           HA       ALA  38   2.813   8.787   8.787
  290   1HB   ALA  38          1HB       ALA  38   0.817   9.623   9.623
  291   2HB   ALA  38          2HB       ALA  38   0.585   8.035   8.035
  292   3HB   ALA  38          3HB       ALA  38   0.407   8.203   8.203
  293    H    LYS  39           H        LYS  39   3.591   7.101   7.101
  294    HA   LYS  39           HA       LYS  39   4.259   4.665   4.665
  295   1HB   LYS  39          2HB       LYS  39   5.315   5.664   5.664
  296   2HB   LYS  39          1HB       LYS  39   3.868   5.296   5.296
  297   1HG   LYS  39          2HG       LYS  39   4.852   2.961   2.961
  298   2HG   LYS  39          1HG       LYS  39   6.053   3.580   3.580
  299   1HD   LYS  39          2HD       LYS  39   4.815   3.023   3.023
  300   2HD   LYS  39          1HD       LYS  39   3.282   3.383   3.383
  301   1HE   LYS  39          2HE       LYS  39   4.013   1.215   1.215
  302   2HE   LYS  39          1HE       LYS  39   4.858   0.829   0.829
  303   1HZ   LYS  39          1HZ       LYS  39   2.329   1.667   1.667
  304   2HZ   LYS  39          2HZ       LYS  39   2.071   0.689   0.689
  305    H    CYS  40           H        CYS  40   3.331   2.551   2.551
  306    HA   CYS  40           HA       CYS  40   0.768   2.283   2.283
  307   1HB   CYS  40          2HB       CYS  40  -0.292   1.502   1.502
  308   2HB   CYS  40          1HB       CYS  40  -0.216   3.220   3.220
  309    H    GLU  41           H        GLU  41   0.110  -0.036  -0.036
  310    HA   GLU  41           HA       GLU  41   2.372  -1.731  -1.731
  311   1HB   GLU  41          2HB       GLU  41   1.417  -3.247  -3.247
  312   2HB   GLU  41          1HB       GLU  41   2.325  -1.820  -1.820
  313   1HG   GLU  41          2HG       GLU  41   0.351  -0.594  -0.594
  314   2HG   GLU  41          1HG       GLU  41  -0.693  -1.684  -1.684
  315    HE2  GLU  41          2HE       GLU  41  -1.567  -2.984  -2.984
  316    H    PHE  42           H        PHE  42   1.837  -3.938  -3.938
  317    HA   PHE  42           HA       PHE  42  -0.876  -4.039  -4.039
  318   1HB   PHE  42          2HB       PHE  42   0.798  -3.854  -3.854
  319   2HB   PHE  42          1HB       PHE  42   1.905  -4.921  -4.921
  320    HD1  PHE  42          2HD       PHE  42  -1.261  -4.823  -4.823
  321    HD2  PHE  42          1HD       PHE  42   1.840  -7.264  -7.264
  322    HE1  PHE  42          2HE       PHE  42  -2.110  -6.764  -6.764
  323    HE2  PHE  42          1HE       PHE  42   0.991  -9.204  -9.204
  324    HZ   PHE  42           HZ       PHE  42  -0.974  -8.931  -8.931
  325    H    ASP  43           H        ASP  43  -2.109  -5.444  -5.444
  326    HA   ASP  43           HA       ASP  43  -1.088  -7.327  -7.327
  327   1HB   ASP  43          2HB       ASP  43  -3.510  -6.357  -6.357
  328   2HB   ASP  43          1HB       ASP  43  -3.743  -7.658  -7.658
  329    HD2  ASP  43          2HD       ASP  43  -4.981  -9.427  -9.427
  330    H    SER  44           H        SER  44  -0.630  -9.590  -9.590
  331    HA   SER  44           HA       SER  44  -0.625 -10.488 -10.488
  332   1HB   SER  44          2HB       SER  44   1.281 -11.845 -11.845
  333   2HB   SER  44          1HB       SER  44   1.595 -10.278 -10.278
  334    HG   SER  44           HG       SER  44   1.322 -11.084 -11.084
  335    H    TYR  45           H        TYR  45  -2.859 -10.562 -10.562
  336    HA   TYR  45           HA       TYR  45  -3.136 -13.483 -13.483
  337   1HB   TYR  45          2HB       TYR  45  -4.878 -11.447 -11.447
  338   2HB   TYR  45          1HB       TYR  45  -4.319 -12.998 -12.998
  339    HD1  TYR  45           HD1      TYR  45  -1.332 -12.567 -12.567
  340    HD2  TYR  45           HD2      TYR  45  -4.280 -10.099 -10.099
  341    HE1  TYR  45           HE1      TYR  45   0.488 -11.395 -11.395
  342    HE2  TYR  45           HE2      TYR  45  -2.450  -8.935  -8.935
  343    HH   TYR  45           HH       TYR  45  -0.277  -9.263  -9.263
  344    H    LYS  46           H        LYS  46  -4.349 -10.534 -10.534
  345    HA   LYS  46           HA       LYS  46  -6.497 -12.113 -12.113
  346   1HB   LYS  46          2HB       LYS  46  -6.776  -9.494  -9.494
  347   2HB   LYS  46          1HB       LYS  46  -7.872  -9.908  -9.908
  348   1HG   LYS  46          2HG       LYS  46  -7.577 -12.219 -12.219
  349   2HG   LYS  46          1HG       LYS  46  -7.940 -10.822 -10.822
  350   1HD   LYS  46          2HD       LYS  46  -9.744 -10.400 -10.400
  351   2HD   LYS  46          1HD       LYS  46  -9.618 -12.145 -12.145
  352   1HE   LYS  46          2HE       LYS  46  -9.852 -11.160 -11.160
  353   2HE   LYS  46          1HE       LYS  46 -11.237 -10.759 -10.759
  354   1HZ   LYS  46          1HZ       LYS  46 -10.121 -13.493 -13.493
  355   2HZ   LYS  46          2HZ       LYS  46 -11.508 -12.949 -12.949
  356    H    GLY  47           H        GLY  47  -4.738  -8.934  -8.934
  357   1HA   GLY  47          1HA       GLY  47  -3.306  -8.552  -8.552
  358   2HA   GLY  47          2HA       GLY  47  -4.574  -9.225  -9.225
  359    H    LYS  48           H        LYS  48  -4.789  -6.921  -6.921
  360    HA   LYS  48           HA       LYS  48  -6.120  -5.060  -5.060
  361   1HB   LYS  48          2HB       LYS  48  -6.475  -5.518  -5.518
  362   2HB   LYS  48          1HB       LYS  48  -7.157  -4.150  -4.150
  363   1HG   LYS  48          2HG       LYS  48  -7.736  -7.102  -7.102
  364   2HG   LYS  48          1HG       LYS  48  -8.851  -5.899  -5.899
  365   1HD   LYS  48          2HD       LYS  48  -8.423  -4.627  -4.627
  366   2HD   LYS  48          1HD       LYS  48  -7.712  -6.125  -6.125
  367   1HE   LYS  48          2HE       LYS  48  -9.777  -7.331  -7.331
  368   2HE   LYS  48          1HE       LYS  48 -10.485  -6.088  -6.088
  369   1HZ   LYS  48          1HZ       LYS  48 -11.397  -5.710  -5.710
  370   2HZ   LYS  48          2HZ       LYS  48 -10.207  -4.600  -4.600
  371    H    CYS  49           H        CYS  49  -5.846  -2.674  -2.674
  372    HA   CYS  49           HA       CYS  49  -3.029  -2.338  -2.338
  373   1HB   CYS  49          2HB       CYS  49  -3.566  -0.028  -0.028
  374   2HB   CYS  49          1HB       CYS  49  -2.911  -1.442  -1.442
  375    H    TYR  50           H        TYR  50  -3.134  -1.884  -1.884
  376    HA   TYR  50           HA       TYR  50  -5.320  -0.352  -0.352
  377   1HB   TYR  50          2HB       TYR  50  -2.743  -1.712  -1.712
  378   2HB   TYR  50          1HB       TYR  50  -3.498  -0.580  -0.580
  379    HD1  TYR  50           HD2      TYR  50  -4.504  -3.489  -3.489
  380    HD2  TYR  50           HD1      TYR  50  -4.949  -1.456  -1.456
  381    HE1  TYR  50           HE2      TYR  50  -6.069  -5.318  -5.318
  382    HE2  TYR  50           HE1      TYR  50  -6.512  -3.293  -3.293
  383    HH   TYR  50           HH       TYR  50  -7.303  -5.286  -5.286
  384    H    CYS  51           H        CYS  51  -4.675   1.472   1.472
  385    HA   CYS  51           HA       CYS  51  -2.471   2.976   2.976
  386   1HB   CYS  51          2HB       CYS  51  -4.166   4.973   4.973
  387   2HB   CYS  51          1HB       CYS  51  -3.924   3.788   3.788

  Start of MODEL   13
    1    H    ALA   1           H        ALA   1   2.184 -12.183 -12.183
    2    HA   ALA   1           HA       ALA   1   4.259 -10.826 -10.826
    3   1HB   ALA   1          1HB       ALA   1   2.792 -12.725 -12.725
    4   2HB   ALA   1          2HB       ALA   1   3.684 -11.594 -11.594
    5   3HB   ALA   1          3HB       ALA   1   4.551 -12.535 -12.535
    6    H    THR   2           H        THR   2   2.225  -8.816  -8.816
    7    HA   THR   2           HA       THR   2   1.651  -7.416  -7.416
    8    HB   THR   2           HB       THR   2   2.078  -6.007  -6.007
    9    HG1  THR   2          1HG       THR   2   0.013  -7.987  -7.987
   10   1HG2  THR   2          1HG2      THR   2   0.653  -5.387  -5.387
   11   2HG2  THR   2          2HG2      THR   2  -0.594  -6.200  -6.200
   12   3HG2  THR   2          3HG2      THR   2   0.247  -4.769  -4.769
   13    H    TYR   3           H        TYR   3   2.697  -5.917  -5.917
   14    HA   TYR   3           HA       TYR   3   5.545  -5.648  -5.648
   15   1HB   TYR   3          2HB       TYR   3   3.682  -5.018  -5.018
   16   2HB   TYR   3          1HB       TYR   3   5.411  -4.740  -4.740
   17    HD1  TYR   3           HD1      TYR   3   6.187  -7.308  -7.308
   18    HD2  TYR   3           HD2      TYR   3   3.565  -6.589  -6.589
   19    HE1  TYR   3           HE1      TYR   3   6.543  -9.692  -9.692
   20    HE2  TYR   3           HE2      TYR   3   3.929  -8.975  -8.975
   21    HH   TYR   3           HH       TYR   3   5.967 -11.209 -11.209
   22    H    ASN   4           H        ASN   4   6.220  -3.316  -3.316
   23    HA   ASN   4           HA       ASN   4   4.511  -1.275  -1.275
   24   1HB   ASN   4          2HB       ASN   4   7.489  -0.994  -0.994
   25   2HB   ASN   4          1HB       ASN   4   6.170  -0.296  -0.296
   26   1HD2  ASN   4          2HD2      ASN   4   5.392  -3.404  -3.404
   27   2HD2  ASN   4          1HD2      ASN   4   4.605  -2.161  -2.161
   28    H    GLY   5           H        GLY   5   4.319   0.354   0.354
   29   1HA   GLY   5          1HA       GLY   5   6.596   0.912   0.912
   30   2HA   GLY   5          2HA       GLY   5   5.099   0.387   0.387
   31    H    LYS   6           H        LYS   6   4.408   2.275   2.275
   32    HA   LYS   6           HA       LYS   6   3.508   4.360   4.360
   33   1HB   LYS   6          2HB       LYS   6   5.168   5.167   5.167
   34   2HB   LYS   6          1HB       LYS   6   4.645   6.146   6.146
   35   1HG   LYS   6          2HG       LYS   6   6.101   4.823   4.823
   36   2HG   LYS   6          1HG       LYS   6   6.602   3.806   3.806
   37   1HD   LYS   6          2HD       LYS   6   7.598   5.769   5.769
   38   2HD   LYS   6          1HD       LYS   6   7.041   6.828   6.828
   39   1HE   LYS   6          2HE       LYS   6   8.441   4.812   4.812
   40   2HE   LYS   6          1HE       LYS   6   9.400   5.060   5.060
   41   1HZ   LYS   6          1HZ       LYS   6   9.787   7.273   7.273
   42   2HZ   LYS   6          2HZ       LYS   6   8.471   7.411   7.411
   43    H    CYS   7           H        CYS   7   1.947   5.837   5.837
   44    HA   CYS   7           HA       CYS   7   0.881   4.650   4.650
   45   1HB   CYS   7          2HB       CYS   7  -1.397   5.444   5.444
   46   2HB   CYS   7          1HB       CYS   7  -0.811   3.796   3.796
   47    H    TYR   8           H        TYR   8  -0.491   6.248   6.248
   48    HA   TYR   8           HA       TYR   8   0.375   8.988   8.988
   49   1HB   TYR   8          2HB       TYR   8  -0.521   7.502   7.502
   50   2HB   TYR   8          1HB       TYR   8  -0.139   9.212   9.212
   51    HD1  TYR   8           HD2      TYR   8   2.127   8.044   8.044
   52    HD2  TYR   8           HD1      TYR   8   1.296   7.753   7.753
   53    HE1  TYR   8           HE2      TYR   8   4.569   7.503   7.503
   54    HE2  TYR   8           HE1      TYR   8   3.741   7.213   7.213
   55    HH   TYR   8           HH       TYR   8   6.119   7.848   7.848
   56    H    LYS   9           H        LYS   9  -1.227  10.686  10.686
   57    HA   LYS   9           HA       LYS   9  -3.912   9.859   9.859
   58   1HB   LYS   9          2HB       LYS   9  -4.285  12.249  12.249
   59   2HB   LYS   9          1HB       LYS   9  -2.979  11.563  11.563
   60   1HG   LYS   9          2HG       LYS   9  -1.813  13.401  13.401
   61   2HG   LYS   9          1HG       LYS   9  -1.555  12.443  12.443
   62   1HD   LYS   9          2HD       LYS   9  -2.371  14.637  14.637
   63   2HD   LYS   9          1HD       LYS   9  -3.623  13.459  13.459
   64   1HE   LYS   9          2HE       LYS   9  -5.056  14.312  14.312
   65   2HE   LYS   9          1HE       LYS   9  -3.764  14.664  14.664
   66   1HZ   LYS   9          1HZ       LYS   9  -3.592  16.319  16.319
   67   2HZ   LYS   9          2HZ       LYS   9  -5.035  16.500  16.500
   68    H    LYS  10           H        LYS  10  -2.050  11.785  11.785
   69    HA   LYS  10           HA       LYS  10  -4.183  12.504  12.504
   70   1HB   LYS  10          2HB       LYS  10  -1.592  13.069  13.069
   71   2HB   LYS  10          1HB       LYS  10  -1.546  11.794  11.794
   72   1HG   LYS  10          2HG       LYS  10  -2.814  12.993  12.993
   73   2HG   LYS  10          1HG       LYS  10  -3.738  13.823  13.823
   74   1HD   LYS  10          2HD       LYS  10  -1.520  15.065  15.065
   75   2HD   LYS  10          1HD       LYS  10  -0.908  14.439  14.439
   76   1HE   LYS  10          2HE       LYS  10  -3.315  15.443  15.443
   77   2HE   LYS  10          1HE       LYS  10  -2.996  16.529  16.529
   78   1HZ   LYS  10          1HZ       LYS  10  -0.999  17.245  17.245
   79   2HZ   LYS  10          2HZ       LYS  10  -0.906  15.979  15.979
   80    H    ASP  11           H        ASP  11  -2.053   9.573   9.573
   81    HA   ASP  11           HA       ASP  11  -3.911   8.496   8.496
   82   1HB   ASP  11          2HB       ASP  11  -1.155   8.278   8.278
   83   2HB   ASP  11          1HB       ASP  11  -1.735   6.748   6.748
   84    HD2  ASP  11          2HD       ASP  11  -0.913   7.920   7.920
   85    H    ASN  12           H        ASN  12  -3.604   8.703   8.703
   86    HA   ASN  12           HA       ASN  12  -4.163   7.468   7.468
   87   1HB   ASN  12          2HB       ASN  12  -6.378   8.132   8.132
   88   2HB   ASN  12          1HB       ASN  12  -6.513   6.402   6.402
   89   1HD2  ASN  12          2HD2      ASN  12  -7.993   5.836   5.836
   90   2HD2  ASN  12          1HD2      ASN  12  -7.776   5.451   5.451
   91    H    ILE  13           H        ILE  13  -2.220   5.962   5.962
   92    HA   ILE  13           HA       ILE  13  -3.302   3.257   3.257
   93    HB   ILE  13           HB       ILE  13  -1.203   2.799   2.799
   94   1HG1  ILE  13          2HG1      ILE  13  -0.795   4.976   4.976
   95   2HG1  ILE  13          3HG1      ILE  13  -1.248   5.794   5.794
   96   1HG2  ILE  13          2HG2      ILE  13  -3.844   3.794   3.794
   97   2HG2  ILE  13          3HG2      ILE  13  -2.635   4.121   4.121
   98   3HG2  ILE  13          1HG2      ILE  13  -2.895   2.457   2.457
   99   1HD1  ILE  13          2HD1      ILE  13   0.466   4.302   4.302
  100   2HD1  ILE  13          3HD1      ILE  13   1.032   3.817   3.817
  101   3HD1  ILE  13          1HD1      ILE  13   1.136   5.521   5.521
  102    H    CYS  14           H        CYS  14  -1.326   1.643   1.643
  103    HA   CYS  14           HA       CYS  14   0.183   2.795   2.795
  104   1HB   CYS  14          2HB       CYS  14  -1.983   1.163   1.163
  105   2HB   CYS  14          1HB       CYS  14  -0.671   0.001   0.001
  106    H    LYS  15           H        LYS  15   2.268   2.704   2.704
  107    HA   LYS  15           HA       LYS  15   2.992   0.387   0.387
  108   1HB   LYS  15          2HB       LYS  15   4.603   2.907   2.907
  109   2HB   LYS  15          1HB       LYS  15   4.839   1.695   1.695
  110   1HG   LYS  15          2HG       LYS  15   2.929   2.370   2.370
  111   2HG   LYS  15          1HG       LYS  15   2.168   3.108   3.108
  112   1HD   LYS  15          2HD       LYS  15   3.193   4.697   4.697
  113   2HD   LYS  15          1HD       LYS  15   3.543   5.040   5.040
  114   1HE   LYS  15          2HE       LYS  15   5.776   4.414   4.414
  115   2HE   LYS  15          1HE       LYS  15   5.450   3.188   3.188
  116   1HZ   LYS  15          1HZ       LYS  15   6.025   5.995   5.995
  117   2HZ   LYS  15          2HZ       LYS  15   6.276   4.748   4.748
  118    H    TYR  16           H        TYR  16   4.460  -1.147  -1.147
  119    HA   TYR  16           HA       TYR  16   6.252  -0.695  -0.695
  120   1HB   TYR  16          2HB       TYR  16   5.096  -2.233  -2.233
  121   2HB   TYR  16          1HB       TYR  16   4.027  -0.902  -0.902
  122    HD1  TYR  16           HD1      TYR  16   2.503  -1.409  -1.409
  123    HD2  TYR  16           HD2      TYR  16   4.158  -4.349  -4.349
  124    HE1  TYR  16           HE1      TYR  16   0.715  -3.068  -3.068
  125    HE2  TYR  16           HE2      TYR  16   2.364  -5.998  -5.998
  126    HH   TYR  16           HH       TYR  16   0.824  -6.412  -6.412
  127    H    LYS  17           H        LYS  17   7.390  -2.806  -2.806
  128    HA   LYS  17           HA       LYS  17   7.635  -4.384  -4.384
  129   1HB   LYS  17          2HB       LYS  17   9.394  -3.771  -3.771
  130   2HB   LYS  17          1HB       LYS  17   9.653  -5.275  -5.275
  131   1HG   LYS  17          2HG       LYS  17   9.289  -2.848  -2.848
  132   2HG   LYS  17          1HG       LYS  17  10.753  -2.881  -2.881
  133   1HD   LYS  17          2HD       LYS  17  10.621  -5.486  -5.486
  134   2HD   LYS  17          1HD       LYS  17  10.019  -4.510  -4.510
  135   1HE   LYS  17          2HE       LYS  17  12.067  -2.999  -2.999
  136   2HE   LYS  17          1HE       LYS  17  12.685  -4.169  -4.169
  137   1HZ   LYS  17          1HZ       LYS  17  13.071  -5.692  -5.692
  138   2HZ   LYS  17          2HZ       LYS  17  11.844  -5.195  -5.195
  139    H    ALA  18           H        ALA  18   7.189  -6.574  -6.574
  140    HA   ALA  18           HA       ALA  18   5.611  -7.607  -7.607
  141   1HB   ALA  18          2HB       ALA  18   5.091  -7.582  -7.582
  142   2HB   ALA  18          3HB       ALA  18   6.037  -9.089  -9.089
  143   3HB   ALA  18          1HB       ALA  18   4.569  -8.929  -8.929
  144    H    GLN  19           H        GLN  19   8.452  -7.284  -7.284
  145    HA   GLN  19           HA       GLN  19  10.097  -8.389  -8.389
  146   1HB   GLN  19          2HB       GLN  19   8.779  -9.750  -9.750
  147   2HB   GLN  19          1HB       GLN  19   7.992 -10.541 -10.541
  148   1HG   GLN  19          2HG       GLN  19   9.531 -12.123 -12.123
  149   2HG   GLN  19          1HG       GLN  19  10.126 -11.739 -11.739
  150   1HE2  GLN  19          2HE2      GLN  19  11.978 -10.043 -10.043
  151   2HE2  GLN  19          1HE2      GLN  19  10.273 -10.346 -10.346
  152    H    SER  20           H        SER  20   8.575 -10.636 -10.636
  153    HA   SER  20           HA       SER  20  11.210 -11.251 -11.251
  154   1HB   SER  20          2HB       SER  20   9.480 -12.579 -12.579
  155   2HB   SER  20          1HB       SER  20  10.112 -13.236 -13.236
  156    HG   SER  20           HG       SER  20   8.102 -13.300 -13.300
  157    H    GLY  21           H        GLY  21   9.288  -8.651  -8.651
  158   1HA   GLY  21          1HA       GLY  21   9.330  -6.985  -6.985
  159   2HA   GLY  21          2HA       GLY  21  10.382  -7.948  -7.948
  160    H    LYS  22           H        LYS  22   7.766  -9.915  -9.915
  161    HA   LYS  22           HA       LYS  22   6.765 -10.069 -10.069
  162   1HB   LYS  22          2HB       LYS  22   6.559 -11.816 -11.816
  163   2HB   LYS  22          1HB       LYS  22   5.415 -10.818 -10.818
  164   1HG   LYS  22          2HG       LYS  22   3.856 -10.852 -10.852
  165   2HG   LYS  22          1HG       LYS  22   5.017 -11.748 -11.748
  166   1HD   LYS  22          2HD       LYS  22   4.934 -13.524 -13.524
  167   2HD   LYS  22          1HD       LYS  22   3.479 -12.695 -12.695
  168   1HE   LYS  22          2HE       LYS  22   2.906 -12.959 -12.959
  169   2HE   LYS  22          1HE       LYS  22   3.955 -14.349 -14.349
  170   1HZ   LYS  22          1HZ       LYS  22   2.135 -15.360 -15.360
  171   2HZ   LYS  22          2HZ       LYS  22   2.298 -14.462 -14.462
  172    H    THR  23           H        THR  23   4.563  -9.087  -9.087
  173    HA   THR  23           HA       THR  23   2.877  -7.618  -7.618
  174    HB   THR  23           HB       THR  23   3.208  -8.298  -8.298
  175    HG1  THR  23          1HG       THR  23   1.273  -6.753  -6.753
  176   1HG2  THR  23          1HG2      THR  23   4.035  -5.753  -5.753
  177   2HG2  THR  23          2HG2      THR  23   2.305  -5.413  -5.413
  178   3HG2  THR  23          3HG2      THR  23   2.843  -6.318  -6.318
  179    H    ALA  24           H        ALA  24   2.458  -5.099  -5.099
  180    HA   ALA  24           HA       ALA  24   4.438  -3.342  -3.342
  181   1HB   ALA  24          1HB       ALA  24   4.698  -4.590  -4.590
  182   2HB   ALA  24          2HB       ALA  24   4.889  -2.823  -2.823
  183   3HB   ALA  24          3HB       ALA  24   5.942  -3.881  -3.881
  184    H    ILE  25           H        ILE  25   3.206  -1.583  -1.583
  185    HA   ILE  25           HA       ILE  25   1.603  -0.073  -0.073
  186    HB   ILE  25           HB       ILE  25   1.400  -0.711  -0.711
  187   1HG1  ILE  25          2HG1      ILE  25   3.603   0.595   0.595
  188   2HG1  ILE  25          3HG1      ILE  25   3.685  -0.463  -0.463
  189   1HG2  ILE  25          3HG2      ILE  25  -0.298   0.814   0.814
  190   2HG2  ILE  25          1HG2      ILE  25   0.988   1.864   1.864
  191   3HG2  ILE  25          2HG2      ILE  25   0.815   1.643   1.643
  192   1HD1  ILE  25          3HD1      ILE  25   2.660   2.414   2.414
  193   2HD1  ILE  25          1HD1      ILE  25   4.265   1.879   1.879
  194   3HD1  ILE  25          2HD1      ILE  25   2.802   1.339   1.339
  195    H    CYS  26           H        CYS  26  -0.573  -0.009  -0.009
  196    HA   CYS  26           HA       CYS  26  -2.359  -1.897  -1.897
  197   1HB   CYS  26          2HB       CYS  26  -1.057  -3.115  -3.115
  198   2HB   CYS  26          1HB       CYS  26  -2.053  -2.163  -2.163
  199    H    LYS  27           H        LYS  27  -4.074  -0.534  -0.534
  200    HA   LYS  27           HA       LYS  27  -4.498   1.926   1.926
  201   1HB   LYS  27          2HB       LYS  27  -6.777  -0.065  -0.065
  202   2HB   LYS  27          1HB       LYS  27  -6.835   1.637   1.637
  203   1HG   LYS  27          2HG       LYS  27  -4.987   0.941   0.941
  204   2HG   LYS  27          1HG       LYS  27  -5.667  -0.659  -0.659
  205   1HD   LYS  27          2HD       LYS  27  -7.614  -0.125  -0.125
  206   2HD   LYS  27          1HD       LYS  27  -7.734   1.441   1.441
  207   1HE   LYS  27          2HE       LYS  27  -6.386   2.507   2.507
  208   2HE   LYS  27          1HE       LYS  27  -5.587   1.020   1.020
  209   1HZ   LYS  27          1HZ       LYS  27  -8.121   0.459   0.459
  210   2HZ   LYS  27          2HZ       LYS  27  -8.137   2.068   2.068
  211    H    CYS  28           H        CYS  28  -5.341   3.132   3.132
  212    HA   CYS  28           HA       CYS  28  -4.815   1.998   1.998
  213   1HB   CYS  28          2HB       CYS  28  -5.815   4.643   4.643
  214   2HB   CYS  28          1HB       CYS  28  -5.966   4.252   4.252
  215    H    TYR  29           H        TYR  29  -6.459   0.127   0.127
  216    HA   TYR  29           HA       TYR  29  -9.137   0.400   0.400
  217   1HB   TYR  29          2HB       TYR  29  -7.524  -1.669  -1.669
  218   2HB   TYR  29          1HB       TYR  29  -7.635  -1.549  -1.549
  219    HD1  TYR  29           HD2      TYR  29 -10.350  -1.108  -1.108
  220    HD2  TYR  29           HD1      TYR  29  -8.767  -3.504  -3.504
  221    HE1  TYR  29           HE2      TYR  29 -12.446  -2.547  -2.547
  222    HE2  TYR  29           HE1      TYR  29 -10.868  -4.934  -4.934
  223    HH   TYR  29           HH       TYR  29 -13.667  -3.980  -3.980
  224    H    VAL  30           H        VAL  30 -10.641   1.467   1.467
  225    HA   VAL  30           HA       VAL  30 -11.813   2.153   2.153
  226    HB   VAL  30           HB       VAL  30 -11.879   0.911   0.911
  227   1HG1  VAL  30          3HG1      VAL  30 -11.310  -0.565  -0.565
  228   2HG1  VAL  30          1HG1      VAL  30  -9.926  -1.031  -1.031
  229   3HG1  VAL  30          2HG1      VAL  30 -11.587  -1.283  -1.283
  230   1HG2  VAL  30          3HG2      VAL  30  -8.985   1.468   1.468
  231   2HG2  VAL  30          1HG2      VAL  30 -10.190   1.408   1.408
  232   3HG2  VAL  30          2HG2      VAL  30  -9.458  -0.098  -0.098
  233    H    LYS  31           H        LYS  31 -11.778   3.971   3.971
  234    HA   LYS  31           HA       LYS  31 -11.003   5.933   5.933
  235   1HB   LYS  31          2HB       LYS  31  -9.603   3.981   3.981
  236   2HB   LYS  31          1HB       LYS  31  -8.324   5.029   5.029
  237   1HG   LYS  31          2HG       LYS  31  -8.820   6.470   6.470
  238   2HG   LYS  31          1HG       LYS  31 -10.346   6.804   6.804
  239   1HD   LYS  31          2HD       LYS  31 -10.723   4.312   4.312
  240   2HD   LYS  31          1HD       LYS  31  -9.839   5.305   5.305
  241   1HE   LYS  31          2HE       LYS  31 -12.378   6.205   6.205
  242   2HE   LYS  31          1HE       LYS  31 -12.354   5.539   5.539
  243   1HZ   LYS  31          1HZ       LYS  31 -10.598   7.823   7.823
  244   2HZ   LYS  31          2HZ       LYS  31 -12.186   8.113   8.113
  245    H    LYS  32           H        LYS  32  -8.731   7.396   7.396
  246    HA   LYS  32           HA       LYS  32  -7.659   7.044   7.044
  247   1HB   LYS  32          2HB       LYS  32  -9.639   8.565   8.565
  248   2HB   LYS  32          1HB       LYS  32  -8.838   9.654   9.654
  249   1HG   LYS  32          2HG       LYS  32  -6.824   9.428   9.428
  250   2HG   LYS  32          1HG       LYS  32  -8.132   9.004   9.004
  251   1HD   LYS  32          2HD       LYS  32  -8.146  11.517  11.517
  252   2HD   LYS  32          1HD       LYS  32  -7.550  11.492  11.492
  253   1HE   LYS  32          2HE       LYS  32  -9.789  10.673  10.673
  254   2HE   LYS  32          1HE       LYS  32 -10.382  10.726  10.726
  255   1HZ   LYS  32          1HZ       LYS  32 -10.562  12.975  12.975
  256   2HZ   LYS  32          2HZ       LYS  32  -9.167  13.197  13.197
  257    H    CYS  33           H        CYS  33  -5.555   7.953   7.953
  258    HA   CYS  33           HA       CYS  33  -4.032   7.940   7.940
  259   1HB   CYS  33          2HB       CYS  33  -3.473   7.420   7.420
  260   2HB   CYS  33          1HB       CYS  33  -2.892   9.072   9.072
  261    HA   PRO  34           HA       PRO  34  -4.298  12.194  12.194
  262   1HB   PRO  34          2HB       PRO  34  -2.137  12.489  12.489
  263   2HB   PRO  34          1HB       PRO  34  -3.672  11.837  11.837
  264   1HG   PRO  34          2HG       PRO  34  -1.145  10.409  10.409
  265   2HG   PRO  34          1HG       PRO  34  -2.530   9.866   9.866
  266   1HD   PRO  34          2HD       PRO  34  -1.832   9.077   9.077
  267   2HD   PRO  34          1HD       PRO  34  -3.277   8.625   8.625
  268    H    ARG  35           H        ARG  35  -1.052  11.124  11.124
  269    HA   ARG  35           HA       ARG  35  -0.990  13.034  13.034
  270   1HB   ARG  35          2HB       ARG  35   0.898  14.410  14.410
  271   2HB   ARG  35          1HB       ARG  35  -0.487  14.558  14.558
  272   1HG   ARG  35          2HG       ARG  35   1.103  12.299  12.299
  273   2HG   ARG  35          1HG       ARG  35   2.166  13.677  13.677
  274   1HD   ARG  35          2HD       ARG  35   0.323  15.017  15.017
  275   2HD   ARG  35          1HD       ARG  35  -0.264  13.439  13.439
  276    HE   ARG  35           HE       ARG  35   2.602  13.645  13.645
  277   1HH1  ARG  35          2HH2      ARG  35  -0.507  14.578  14.578
  278   2HH1  ARG  35          1HH2      ARG  35   0.122  14.690  14.690
  279    HH2  ARG  35          1HH       ARG  35   2.440  14.223  14.223
  280    H    ASP  36           H        ASP  36   0.753  12.575  12.575
  281    HA   ASP  36           HA       ASP  36   1.589  10.102  10.102
  282   1HB   ASP  36          2HB       ASP  36   2.244  11.419  11.419
  283   2HB   ASP  36          1HB       ASP  36   2.736  12.752  12.752
  284    HD2  ASP  36          2HD       ASP  36   5.075  11.366  11.366
  285    H    GLY  37           H        GLY  37   3.169   8.710   8.710
  286   1HA   GLY  37          1HA       GLY  37   5.265   8.353   8.353
  287   2HA   GLY  37          2HA       GLY  37   5.126   9.898   9.898
  288    H    ALA  38           H        ALA  38   2.167   9.389   9.389
  289    HA   ALA  38           HA       ALA  38   2.252   8.647   8.647
  290   1HB   ALA  38          1HB       ALA  38   0.278   8.932   8.932
  291   2HB   ALA  38          2HB       ALA  38  -0.073   7.406   7.406
  292   3HB   ALA  38          3HB       ALA  38   0.040   8.927   8.927
  293    H    LYS  39           H        LYS  39   3.012   6.929   6.929
  294    HA   LYS  39           HA       LYS  39   3.760   4.561   4.561
  295   1HB   LYS  39          2HB       LYS  39   5.009   5.505   5.505
  296   2HB   LYS  39          1HB       LYS  39   3.652   5.176   5.176
  297   1HG   LYS  39          2HG       LYS  39   3.848   2.702   2.702
  298   2HG   LYS  39          1HG       LYS  39   5.421   3.172   3.172
  299   1HD   LYS  39          2HD       LYS  39   5.582   4.197   4.197
  300   2HD   LYS  39          1HD       LYS  39   4.504   2.845   2.845
  301   1HE   LYS  39          2HE       LYS  39   6.237   1.385   1.385
  302   2HE   LYS  39          1HE       LYS  39   6.636   1.933   1.933
  303   1HZ   LYS  39          1HZ       LYS  39   8.508   2.652   2.652
  304   2HZ   LYS  39          2HZ       LYS  39   7.614   3.947   3.947
  305    H    CYS  40           H        CYS  40   2.931   2.399   2.399
  306    HA   CYS  40           HA       CYS  40   0.400   2.155   2.155
  307   1HB   CYS  40          2HB       CYS  40  -0.502   2.937   2.937
  308   2HB   CYS  40          1HB       CYS  40   0.626   2.014   2.014
  309    H    GLU  41           H        GLU  41  -0.281  -0.242  -0.242
  310    HA   GLU  41           HA       GLU  41   2.084  -1.896  -1.896
  311   1HB   GLU  41          2HB       GLU  41   0.250  -2.902  -2.902
  312   2HB   GLU  41          1HB       GLU  41   1.991  -2.713  -2.713
  313   1HG   GLU  41          2HG       GLU  41  -0.066  -0.496  -0.496
  314   2HG   GLU  41          1HG       GLU  41   0.912  -1.247  -1.247
  315    HE2  GLU  41          2HE       GLU  41   2.117   1.815   1.815
  316    H    PHE  42           H        PHE  42   1.754  -3.516  -3.516
  317    HA   PHE  42           HA       PHE  42  -0.947  -4.002  -4.002
  318   1HB   PHE  42          2HB       PHE  42   0.845  -3.792  -3.792
  319   2HB   PHE  42          1HB       PHE  42   1.892  -4.871  -4.871
  320    HD1  PHE  42          2HD       PHE  42  -1.116  -4.722  -4.722
  321    HD2  PHE  42          1HD       PHE  42   1.779  -7.230  -7.230
  322    HE1  PHE  42          2HE       PHE  42  -1.908  -6.653  -6.653
  323    HE2  PHE  42          1HE       PHE  42   0.988  -9.160  -9.160
  324    HZ   PHE  42           HZ       PHE  42  -0.846  -8.848  -8.848
  325    H    ASP  43           H        ASP  43  -2.204  -5.428  -5.428
  326    HA   ASP  43           HA       ASP  43  -1.157  -7.282  -7.282
  327   1HB   ASP  43          2HB       ASP  43  -3.683  -6.307  -6.307
  328   2HB   ASP  43          1HB       ASP  43  -3.780  -7.984  -7.984
  329    HD1  ASP  43          2HD       ASP  43  -2.896  -8.752  -8.752
  330    H    SER  44           H        SER  44  -0.341  -9.364  -9.364
  331    HA   SER  44           HA       SER  44  -0.373 -10.280 -10.280
  332   1HB   SER  44          2HB       SER  44   1.389 -11.751 -11.751
  333   2HB   SER  44          1HB       SER  44   1.692 -10.270 -10.270
  334    HG   SER  44           HG       SER  44   1.078 -11.213 -11.213
  335    H    TYR  45           H        TYR  45  -2.070 -10.776 -10.776
  336    HA   TYR  45           HA       TYR  45  -2.773 -13.489 -13.489
  337   1HB   TYR  45          2HB       TYR  45  -4.035 -12.988 -12.988
  338   2HB   TYR  45          1HB       TYR  45  -2.895 -11.657 -11.657
  339    HD1  TYR  45           HD1      TYR  45  -3.970  -9.851  -9.851
  340    HD2  TYR  45           HD2      TYR  45  -6.010 -12.151 -12.151
  341    HE1  TYR  45           HE1      TYR  45  -5.904  -8.200  -8.200
  342    HE2  TYR  45           HE2      TYR  45  -7.937 -10.493 -10.493
  343    HH   TYR  45           HH       TYR  45  -8.517  -8.431  -8.431
  344    H    LYS  46           H        LYS  46  -3.597 -10.707 -10.707
  345    HA   LYS  46           HA       LYS  46  -5.693 -12.184 -12.184
  346   1HB   LYS  46          2HB       LYS  46  -6.254  -9.542  -9.542
  347   2HB   LYS  46          1HB       LYS  46  -7.289 -10.251 -10.251
  348   1HG   LYS  46          2HG       LYS  46  -7.217 -12.402 -12.402
  349   2HG   LYS  46          1HG       LYS  46  -6.665 -11.298 -11.298
  350   1HD   LYS  46          2HD       LYS  46  -8.682  -9.944  -9.944
  351   2HD   LYS  46          1HD       LYS  46  -9.192 -10.795 -10.795
  352   1HE   LYS  46          2HE       LYS  46  -9.836 -12.722 -12.722
  353   2HE   LYS  46          1HE       LYS  46  -8.726 -12.415 -12.415
  354   1HZ   LYS  46          1HZ       LYS  46 -10.159 -10.801 -10.801
  355   2HZ   LYS  46          2HZ       LYS  46 -10.993 -10.583 -10.583
  356    H    GLY  47           H        GLY  47  -4.320  -8.824  -8.824
  357   1HA   GLY  47          1HA       GLY  47  -2.656  -8.258  -8.258
  358   2HA   GLY  47          2HA       GLY  47  -3.730  -8.996  -8.996
  359    H    LYS  48           H        LYS  48  -4.461  -6.836  -6.836
  360    HA   LYS  48           HA       LYS  48  -5.895  -5.107  -5.107
  361   1HB   LYS  48          2HB       LYS  48  -6.187  -5.758  -5.758
  362   2HB   LYS  48          1HB       LYS  48  -6.735  -4.197  -4.197
  363   1HG   LYS  48          2HG       LYS  48  -8.671  -5.357  -5.357
  364   2HG   LYS  48          1HG       LYS  48  -7.835  -5.749  -5.749
  365   1HD   LYS  48          2HD       LYS  48  -8.099  -7.937  -7.937
  366   2HD   LYS  48          1HD       LYS  48  -6.874  -7.686  -7.686
  367   1HE   LYS  48          2HE       LYS  48  -8.404  -7.996  -7.996
  368   2HE   LYS  48          1HE       LYS  48  -9.381  -6.680  -6.680
  369   1HZ   LYS  48          1HZ       LYS  48  -9.536  -9.205  -9.205
  370   2HZ   LYS  48          2HZ       LYS  48 -10.246  -9.175  -9.175
  371    H    CYS  49           H        CYS  49  -5.876  -2.669  -2.669
  372    HA   CYS  49           HA       CYS  49  -3.057  -2.053  -2.053
  373   1HB   CYS  49          2HB       CYS  49  -4.700  -0.048  -0.048
  374   2HB   CYS  49          1HB       CYS  49  -3.000  -0.445  -0.445
  375    H    TYR  50           H        TYR  50  -2.915  -1.273  -1.273
  376    HA   TYR  50           HA       TYR  50  -5.261   0.030   0.030
  377   1HB   TYR  50          2HB       TYR  50  -2.617  -1.210  -1.210
  378   2HB   TYR  50          1HB       TYR  50  -3.457  -0.136  -0.136
  379    HD1  TYR  50           HD2      TYR  50  -3.865  -3.282  -3.282
  380    HD2  TYR  50           HD1      TYR  50  -5.254  -0.919  -0.919
  381    HE1  TYR  50           HE2      TYR  50  -5.322  -5.213  -5.213
  382    HE2  TYR  50           HE1      TYR  50  -6.706  -2.857  -2.857
  383    HH   TYR  50           HH       TYR  50  -7.525  -4.814  -4.814
  384    H    CYS  51           H        CYS  51  -4.645   1.835   1.835
  385    HA   CYS  51           HA       CYS  51  -2.490   3.402   3.402
  386   1HB   CYS  51          2HB       CYS  51  -4.712   3.629   3.629
  387   2HB   CYS  51          1HB       CYS  51  -5.220   4.664   4.664

  Start of MODEL   14
    1    H    ALA   1           H        ALA   1   2.170 -12.308 -12.308
    2    HA   ALA   1           HA       ALA   1   4.469 -11.147 -11.147
    3   1HB   ALA   1          1HB       ALA   1   2.489 -13.002 -13.002
    4   2HB   ALA   1          2HB       ALA   1   3.194 -12.021 -12.021
    5   3HB   ALA   1          3HB       ALA   1   4.252 -12.975 -12.975
    6    H    THR   2           H        THR   2   2.642  -9.002  -9.002
    7    HA   THR   2           HA       THR   2   1.746  -7.712  -7.712
    8    HB   THR   2           HB       THR   2   2.260  -6.353  -6.353
    9    HG1  THR   2          1HG       THR   2   0.522  -7.596  -7.596
   10   1HG2  THR   2          3HG2      THR   2   0.703  -5.798  -5.798
   11   2HG2  THR   2          1HG2      THR   2  -0.435  -6.195  -6.195
   12   3HG2  THR   2          2HG2      THR   2   0.738  -4.873  -4.873
   13    H    TYR   3           H        TYR   3   2.559  -5.800  -5.800
   14    HA   TYR   3           HA       TYR   3   5.474  -5.598  -5.598
   15   1HB   TYR   3          2HB       TYR   3   3.606  -4.681  -4.681
   16   2HB   TYR   3          1HB       TYR   3   5.345  -4.868  -4.868
   17    HD1  TYR   3           HD1      TYR   3   5.132  -7.618  -7.618
   18    HD2  TYR   3           HD2      TYR   3   3.350  -6.090  -6.090
   19    HE1  TYR   3           HE1      TYR   3   4.820  -9.988  -9.988
   20    HE2  TYR   3           HE2      TYR   3   3.045  -8.465  -8.465
   21    HH   TYR   3           HH       TYR   3   2.864 -10.672 -10.672
   22    H    ASN   4           H        ASN   4   5.937  -3.188  -3.188
   23    HA   ASN   4           HA       ASN   4   4.225  -1.226  -1.226
   24   1HB   ASN   4          2HB       ASN   4   7.100  -1.687  -1.687
   25   2HB   ASN   4          1HB       ASN   4   6.381  -0.093  -0.093
   26   1HD2  ASN   4          2HD2      ASN   4   5.072  -3.226  -3.226
   27   2HD2  ASN   4          1HD2      ASN   4   5.943  -3.486  -3.486
   28    H    GLY   5           H        GLY   5   4.765   0.977   0.977
   29   1HA   GLY   5          1HA       GLY   5   6.925   1.467   1.467
   30   2HA   GLY   5          2HA       GLY   5   5.566   0.926   0.926
   31    H    LYS   6           H        LYS   6   4.728   2.748   2.748
   32    HA   LYS   6           HA       LYS   6   3.697   4.777   4.777
   33   1HB   LYS   6          2HB       LYS   6   5.312   5.659   5.659
   34   2HB   LYS   6          1HB       LYS   6   4.746   6.613   6.613
   35   1HG   LYS   6          2HG       LYS   6   6.287   5.458   5.458
   36   2HG   LYS   6          1HG       LYS   6   6.765   4.338   4.338
   37   1HD   LYS   6          2HD       LYS   6   7.624   6.311   6.311
   38   2HD   LYS   6          1HD       LYS   6   7.257   7.353   7.353
   39   1HE   LYS   6          2HE       LYS   6   8.755   5.824   5.824
   40   2HE   LYS   6          1HE       LYS   6   9.251   5.043   5.043
   41   1HZ   LYS   6          1HZ       LYS   6  10.006   7.634   7.634
   42   2HZ   LYS   6          2HZ       LYS   6  10.776   6.692   6.692
   43    H    CYS   7           H        CYS   7   2.137   6.251   6.251
   44    HA   CYS   7           HA       CYS   7   1.093   4.957   4.957
   45   1HB   CYS   7          2HB       CYS   7  -1.235   5.571   5.571
   46   2HB   CYS   7          1HB       CYS   7  -0.460   4.020   4.020
   47    H    TYR   8           H        TYR   8  -0.432   6.496   6.496
   48    HA   TYR   8           HA       TYR   8   0.314   9.282   9.282
   49   1HB   TYR   8          2HB       TYR   8  -0.296   7.768   7.768
   50   2HB   TYR   8          1HB       TYR   8   0.061   9.483   9.483
   51    HD1  TYR   8           HD1      TYR   8   2.210   8.735   8.735
   52    HD2  TYR   8           HD2      TYR   8   1.601   7.643   7.643
   53    HE1  TYR   8           HE1      TYR   8   4.689   8.226   8.226
   54    HE2  TYR   8           HE2      TYR   8   4.083   7.137   7.137
   55    HH   TYR   8           HH       TYR   8   6.198   7.949   7.949
   56    H    LYS   9           H        LYS   9  -1.294  10.911  10.911
   57    HA   LYS   9           HA       LYS   9  -3.911  10.104  10.104
   58   1HB   LYS   9          2HB       LYS   9  -2.417  12.565  12.565
   59   2HB   LYS   9          1HB       LYS   9  -3.988  12.714  12.714
   60   1HG   LYS   9          2HG       LYS   9  -5.017  11.749  11.749
   61   2HG   LYS   9          1HG       LYS   9  -3.433  11.859  11.859
   62   1HD   LYS   9          2HD       LYS   9  -3.513  14.160  14.160
   63   2HD   LYS   9          1HD       LYS   9  -4.350  14.353  14.353
   64   1HE   LYS   9          2HE       LYS   9  -6.035  12.972  12.972
   65   2HE   LYS   9          1HE       LYS   9  -5.492  14.529  14.529
   66   1HZ   LYS   9          1HZ       LYS   9  -6.237  14.970  14.970
   67   2HZ   LYS   9          2HZ       LYS   9  -7.405  14.001  14.001
   68    H    LYS  10           H        LYS  10  -2.999  12.016  12.016
   69    HA   LYS  10           HA       LYS  10  -5.153  11.487  11.487
   70   1HB   LYS  10          2HB       LYS  10  -3.071  12.917  12.917
   71   2HB   LYS  10          1HB       LYS  10  -2.381  11.471  11.471
   72   1HG   LYS  10          2HG       LYS  10  -4.814  11.415  11.415
   73   2HG   LYS  10          1HG       LYS  10  -4.685  13.142  13.142
   74   1HD   LYS  10          2HD       LYS  10  -2.272  11.734  11.734
   75   2HD   LYS  10          1HD       LYS  10  -3.650  11.943  11.943
   76   1HE   LYS  10          2HE       LYS  10  -3.580  14.338  14.338
   77   2HE   LYS  10          1HE       LYS  10  -2.546  14.283  14.283
   78   1HZ   LYS  10          1HZ       LYS  10  -0.901  13.118  13.118
   79   2HZ   LYS  10          2HZ       LYS  10  -1.801  13.783  13.783
   80    H    ASP  11           H        ASP  11  -2.110   9.547   9.547
   81    HA   ASP  11           HA       ASP  11  -3.262   7.586   7.586
   82   1HB   ASP  11          2HB       ASP  11  -1.074   7.147   7.147
   83   2HB   ASP  11          1HB       ASP  11  -1.337   6.196   6.196
   84    HD2  ASP  11          2HD       ASP  11   0.330   9.816   9.816
   85    H    ASN  12           H        ASN  12  -3.415   8.248   8.248
   86    HA   ASN  12           HA       ASN  12  -4.162   7.122   7.122
   87   1HB   ASN  12          2HB       ASN  12  -6.305   7.837   7.837
   88   2HB   ASN  12          1HB       ASN  12  -6.284   6.687   6.687
   89   1HD2  ASN  12          2HD2      ASN  12  -6.892   5.236   5.236
   90   2HD2  ASN  12          1HD2      ASN  12  -5.766   6.512   6.512
   91    H    ILE  13           H        ILE  13  -2.173   5.543   5.543
   92    HA   ILE  13           HA       ILE  13  -3.320   2.850   2.850
   93    HB   ILE  13           HB       ILE  13  -1.204   2.268   2.268
   94   1HG1  ILE  13          2HG1      ILE  13  -0.574   4.121   4.121
   95   2HG1  ILE  13          3HG1      ILE  13  -1.417   5.241   5.241
   96   1HG2  ILE  13          1HG2      ILE  13  -3.854   3.222   3.222
   97   2HG2  ILE  13          2HG2      ILE  13  -2.639   3.353   3.353
   98   3HG2  ILE  13          3HG2      ILE  13  -2.944   1.782   1.782
   99   1HD1  ILE  13          2HD1      ILE  13   0.362   3.530   3.530
  100   2HD1  ILE  13          3HD1      ILE  13   1.253   4.357   4.357
  101   3HD1  ILE  13          1HD1      ILE  13   0.324   5.305   5.305
  102    H    CYS  14           H        CYS  14  -1.234   1.272   1.272
  103    HA   CYS  14           HA       CYS  14   0.115   2.515   2.515
  104   1HB   CYS  14          2HB       CYS  14  -1.619   1.157   1.157
  105   2HB   CYS  14          1HB       CYS  14  -1.227  -0.185  -0.185
  106    H    LYS  15           H        LYS  15   2.239   2.666   2.666
  107    HA   LYS  15           HA       LYS  15   3.269   0.566   0.566
  108   1HB   LYS  15          2HB       LYS  15   4.573   3.182   3.182
  109   2HB   LYS  15          1HB       LYS  15   5.072   2.095   2.095
  110   1HG   LYS  15          2HG       LYS  15   3.146   2.590   2.590
  111   2HG   LYS  15          1HG       LYS  15   2.276   3.287   3.287
  112   1HD   LYS  15          2HD       LYS  15   3.113   5.068   5.068
  113   2HD   LYS  15          1HD       LYS  15   3.867   5.191   5.191
  114   1HE   LYS  15          2HE       LYS  15   5.899   5.082   5.082
  115   2HE   LYS  15          1HE       LYS  15   5.541   3.439   3.439
  116   1HZ   LYS  15          1HZ       LYS  15   4.177   5.112   5.112
  117   2HZ   LYS  15          2HZ       LYS  15   5.672   5.744   5.744
  118    H    TYR  16           H        TYR  16   4.793  -0.918  -0.918
  119    HA   TYR  16           HA       TYR  16   6.360  -0.509  -0.509
  120   1HB   TYR  16          2HB       TYR  16   5.284  -2.546  -2.546
  121   2HB   TYR  16          1HB       TYR  16   4.209  -1.165  -1.165
  122    HD1  TYR  16           HD1      TYR  16   2.727  -1.108  -1.108
  123    HD2  TYR  16           HD2      TYR  16   4.429  -4.618  -4.618
  124    HE1  TYR  16           HE1      TYR  16   0.995  -2.548  -2.548
  125    HE2  TYR  16           HE2      TYR  16   2.690  -6.046  -6.046
  126    HH   TYR  16           HH       TYR  16   1.023  -6.083  -6.083
  127    H    LYS  17           H        LYS  17   7.902  -2.296  -2.296
  128    HA   LYS  17           HA       LYS  17   8.419  -3.638  -3.638
  129   1HB   LYS  17          2HB       LYS  17  10.032  -2.316  -2.316
  130   2HB   LYS  17          1HB       LYS  17  10.411  -4.013  -4.013
  131   1HG   LYS  17          2HG       LYS  17  10.185  -3.072  -3.072
  132   2HG   LYS  17          1HG       LYS  17  11.551  -2.453  -2.453
  133   1HD   LYS  17          2HD       LYS  17  12.394  -4.664  -4.664
  134   2HD   LYS  17          1HD       LYS  17  10.890  -5.424  -5.424
  135   1HE   LYS  17          2HE       LYS  17  11.264  -4.595  -4.595
  136   2HE   LYS  17          1HE       LYS  17  12.806  -3.932  -3.932
  137   1HZ   LYS  17          1HZ       LYS  17  13.047  -6.166  -6.166
  138   2HZ   LYS  17          2HZ       LYS  17  13.522  -6.178  -6.178
  139    H    ALA  18           H        ALA  18   7.078  -5.417  -5.417
  140    HA   ALA  18           HA       ALA  18   6.093  -6.966  -6.966
  141   1HB   ALA  18          2HB       ALA  18   6.163  -7.042  -7.042
  142   2HB   ALA  18          3HB       ALA  18   7.148  -8.471  -8.471
  143   3HB   ALA  18          1HB       ALA  18   5.485  -8.338  -8.338
  144    H    GLN  19           H        GLN  19   6.730  -9.212  -9.212
  145    HA   GLN  19           HA       GLN  19   9.136  -9.076  -9.076
  146   1HB   GLN  19          2HB       GLN  19   8.578 -11.172 -11.172
  147   2HB   GLN  19          1HB       GLN  19   7.010 -10.552 -10.552
  148   1HG   GLN  19          2HG       GLN  19   7.202 -11.798 -11.798
  149   2HG   GLN  19          1HG       GLN  19   8.744 -12.447 -12.447
  150   1HE2  GLN  19          2HE2      GLN  19   5.730 -14.707 -14.707
  151   2HE2  GLN  19          1HE2      GLN  19   6.160 -13.723 -13.723
  152    H    SER  20           H        SER  20   8.253 -10.528 -10.528
  153    HA   SER  20           HA       SER  20  11.022 -11.376 -11.376
  154   1HB   SER  20          2HB       SER  20   9.823 -12.447 -12.447
  155   2HB   SER  20          1HB       SER  20   9.887 -13.263 -13.263
  156    HG   SER  20           HG       SER  20   7.769 -12.795 -12.795
  157    H    GLY  21           H        GLY  21   9.043  -8.755  -8.755
  158   1HA   GLY  21          1HA       GLY  21   9.467  -6.891  -6.891
  159   2HA   GLY  21          2HA       GLY  21  10.844  -7.681  -7.681
  160    H    LYS  22           H        LYS  22   8.018  -9.661  -9.661
  161    HA   LYS  22           HA       LYS  22   7.897  -9.391  -9.391
  162   1HB   LYS  22          2HB       LYS  22   7.533 -11.479 -11.479
  163   2HB   LYS  22          1HB       LYS  22   5.885 -10.895 -10.895
  164   1HG   LYS  22          2HG       LYS  22   6.416 -10.686 -10.686
  165   2HG   LYS  22          1HG       LYS  22   7.282 -12.143 -12.143
  166   1HD   LYS  22          2HD       LYS  22   4.891 -12.497 -12.497
  167   2HD   LYS  22          1HD       LYS  22   4.351 -11.628 -11.628
  168   1HE   LYS  22          2HE       LYS  22   6.285 -13.892 -13.892
  169   2HE   LYS  22          1HE       LYS  22   4.651 -14.321 -14.321
  170   1HZ   LYS  22          1HZ       LYS  22   3.786 -13.249 -13.249
  171   2HZ   LYS  22          2HZ       LYS  22   5.159 -12.433 -12.433
  172    H    THR  23           H        THR  23   5.832  -8.434  -8.434
  173    HA   THR  23           HA       THR  23   3.785  -7.346  -7.346
  174    HB   THR  23           HB       THR  23   4.107  -8.097  -8.097
  175    HG1  THR  23          1HG       THR  23   1.873  -7.201  -7.201
  176   1HG2  THR  23          3HG2      THR  23   4.979  -5.482  -5.482
  177   2HG2  THR  23          1HG2      THR  23   3.220  -5.246  -5.246
  178   3HG2  THR  23          2HG2      THR  23   4.082  -6.246  -6.246
  179    H    ALA  24           H        ALA  24   3.220  -4.844  -4.844
  180    HA   ALA  24           HA       ALA  24   5.067  -2.960  -2.960
  181   1HB   ALA  24          2HB       ALA  24   5.171  -4.038  -4.038
  182   2HB   ALA  24          3HB       ALA  24   5.356  -2.284  -2.284
  183   3HB   ALA  24          1HB       ALA  24   6.482  -3.411  -3.411
  184    H    ILE  25           H        ILE  25   3.718  -1.343  -1.343
  185    HA   ILE  25           HA       ILE  25   1.985   0.022   0.022
  186    HB   ILE  25           HB       ILE  25   1.686  -0.439  -0.439
  187   1HG1  ILE  25          2HG1      ILE  25   3.856   0.943   0.943
  188   2HG1  ILE  25          3HG1      ILE  25   3.951  -0.018  -0.018
  189   1HG2  ILE  25          2HG2      ILE  25  -0.072   0.886   0.886
  190   2HG2  ILE  25          3HG2      ILE  25   1.173   2.008   2.008
  191   3HG2  ILE  25          1HG2      ILE  25   0.886   1.848   1.848
  192   1HD1  ILE  25          3HD1      ILE  25   2.715   2.768   2.768
  193   2HD1  ILE  25          1HD1      ILE  25   4.316   2.387   2.387
  194   3HD1  ILE  25          2HD1      ILE  25   2.844   1.793   1.793
  195    H    CYS  26           H        CYS  26  -0.248  -0.026  -0.026
  196    HA   CYS  26           HA       CYS  26  -1.850  -2.088  -2.088
  197   1HB   CYS  26          2HB       CYS  26  -0.796  -3.507  -3.507
  198   2HB   CYS  26          1HB       CYS  26  -0.952  -2.323  -2.323
  199    H    LYS  27           H        LYS  27  -3.676  -0.884  -0.884
  200    HA   LYS  27           HA       LYS  27  -4.293   1.549   1.549
  201   1HB   LYS  27          2HB       LYS  27  -6.408  -0.605  -0.605
  202   2HB   LYS  27          1HB       LYS  27  -6.575   1.104   1.104
  203   1HG   LYS  27          2HG       LYS  27  -4.608   0.649   0.649
  204   2HG   LYS  27          1HG       LYS  27  -5.122  -1.020  -1.020
  205   1HD   LYS  27          2HD       LYS  27  -7.109  -0.651  -0.651
  206   2HD   LYS  27          1HD       LYS  27  -7.353   0.920   0.920
  207   1HE   LYS  27          2HE       LYS  27  -5.810   1.986   1.986
  208   2HE   LYS  27          1HE       LYS  27  -5.227   0.442   0.442
  209   1HZ   LYS  27          1HZ       LYS  27  -8.075   0.722   0.722
  210   2HZ   LYS  27          2HZ       LYS  27  -7.264   1.863   1.863
  211    H    CYS  28           H        CYS  28  -5.338   2.611   2.611
  212    HA   CYS  28           HA       CYS  28  -5.150   1.114   1.114
  213   1HB   CYS  28          2HB       CYS  28  -5.190   4.034   4.034
  214   2HB   CYS  28          1HB       CYS  28  -5.605   3.515   3.515
  215    H    TYR  29           H        TYR  29  -6.980   0.652   0.652
  216    HA   TYR  29           HA       TYR  29  -9.544   1.533   1.533
  217   1HB   TYR  29          2HB       TYR  29  -8.795  -0.965  -0.965
  218   2HB   TYR  29          1HB       TYR  29  -8.809  -0.933  -0.933
  219    HD1  TYR  29           HD2      TYR  29 -11.207   0.375   0.375
  220    HD2  TYR  29           HD1      TYR  29 -10.595  -2.179  -2.179
  221    HE1  TYR  29           HE2      TYR  29 -13.675  -0.232  -0.232
  222    HE2  TYR  29           HE1      TYR  29 -13.066  -2.777  -2.777
  223    HH   TYR  29           HH       TYR  29 -14.892  -2.836  -2.836
  224    H    VAL  30           H        VAL  30 -10.887   2.700   2.700
  225    HA   VAL  30           HA       VAL  30 -11.785   3.589   3.589
  226    HB   VAL  30           HB       VAL  30 -11.989   2.349   2.349
  227   1HG1  VAL  30          3HG1      VAL  30 -11.828   0.817   0.817
  228   2HG1  VAL  30          1HG1      VAL  30 -10.484   0.099   0.099
  229   3HG1  VAL  30          2HG1      VAL  30 -12.121   0.137   0.137
  230   1HG2  VAL  30          3HG2      VAL  30  -9.034   2.334   2.334
  231   2HG2  VAL  30          1HG2      VAL  30 -10.157   2.535   2.535
  232   3HG2  VAL  30          2HG2      VAL  30  -9.778   0.905   0.905
  233    H    LYS  31           H        LYS  31 -11.311   5.357   5.357
  234    HA   LYS  31           HA       LYS  31 -10.090   7.203   7.203
  235   1HB   LYS  31          2HB       LYS  31  -9.731   5.442   5.442
  236   2HB   LYS  31          1HB       LYS  31  -8.077   5.423   5.423
  237   1HG   LYS  31          2HG       LYS  31  -7.639   7.432   7.432
  238   2HG   LYS  31          1HG       LYS  31  -9.013   8.177   8.177
  239   1HD   LYS  31          2HD       LYS  31 -10.403   6.833   6.833
  240   2HD   LYS  31          1HD       LYS  31  -8.875   6.849   6.849
  241   1HE   LYS  31          2HE       LYS  31 -10.071   9.396   9.396
  242   2HE   LYS  31          1HE       LYS  31 -10.511   8.826   8.826
  243   1HZ   LYS  31          1HZ       LYS  31  -7.655   9.075   9.075
  244   2HZ   LYS  31          2HZ       LYS  31  -8.488  10.422  10.422
  245    H    LYS  32           H        LYS  32  -9.662   7.370   7.370
  246    HA   LYS  32           HA       LYS  32  -7.526   6.416   6.416
  247   1HB   LYS  32          2HB       LYS  32  -8.949   7.683   7.683
  248   2HB   LYS  32          1HB       LYS  32  -9.058   8.979   8.979
  249   1HG   LYS  32          2HG       LYS  32  -6.646   9.576   9.576
  250   2HG   LYS  32          1HG       LYS  32  -6.640   8.349   8.349
  251   1HD   LYS  32          2HD       LYS  32  -7.128  10.742  10.742
  252   2HD   LYS  32          1HD       LYS  32  -8.262   9.518   9.518
  253   1HE   LYS  32          2HE       LYS  32  -9.940  10.210  10.210
  254   2HE   LYS  32          1HE       LYS  32  -8.789  11.051  11.051
  255   1HZ   LYS  32          1HZ       LYS  32 -10.171  12.515  12.515
  256   2HZ   LYS  32          2HZ       LYS  32  -8.568  12.763  12.763
  257    H    CYS  33           H        CYS  33  -5.416   7.522   7.522
  258    HA   CYS  33           HA       CYS  33  -3.843   7.765   7.765
  259   1HB   CYS  33          2HB       CYS  33  -3.219   7.253   7.253
  260   2HB   CYS  33          1HB       CYS  33  -3.117   8.991   8.991
  261    HA   PRO  34           HA       PRO  34  -4.644  11.917  11.917
  262   1HB   PRO  34          2HB       PRO  34  -2.642  12.297  12.297
  263   2HB   PRO  34          1HB       PRO  34  -4.154  11.502  11.502
  264   1HG   PRO  34          2HG       PRO  34  -1.485  10.304  10.304
  265   2HG   PRO  34          1HG       PRO  34  -2.886   9.610   9.610
  266   1HD   PRO  34          2HD       PRO  34  -1.931   9.010   9.010
  267   2HD   PRO  34          1HD       PRO  34  -3.396   8.405   8.405
  268    H    ARG  35           H        ARG  35  -1.342  11.064  11.064
  269    HA   ARG  35           HA       ARG  35  -1.269  13.109  13.109
  270   1HB   ARG  35          2HB       ARG  35   0.672  14.400  14.400
  271   2HB   ARG  35          1HB       ARG  35  -0.933  14.703  14.703
  272   1HG   ARG  35          2HG       ARG  35  -0.332  13.949  13.949
  273   2HG   ARG  35          1HG       ARG  35   0.199  12.418  12.418
  274   1HD   ARG  35          2HD       ARG  35   2.427  13.229  13.229
  275   2HD   ARG  35          1HD       ARG  35   1.940  14.904  14.904
  276    HE   ARG  35           HE       ARG  35   1.304  13.921  13.921
  277   1HH1  ARG  35          2HH2      ARG  35   4.245  13.595  13.595
  278   2HH1  ARG  35          1HH2      ARG  35   5.289  13.448  13.448
  279    HH2  ARG  35          1HH       ARG  35   4.347  13.528  13.528
  280    H    ASP  36           H        ASP  36   0.512  12.771  12.771
  281    HA   ASP  36           HA       ASP  36   1.560  10.396  10.396
  282   1HB   ASP  36          2HB       ASP  36   2.182  11.827  11.827
  283   2HB   ASP  36          1HB       ASP  36   2.546  13.148  13.148
  284    HD1  ASP  36          2HD       ASP  36   4.739  13.291  13.291
  285    H    GLY  37           H        GLY  37   3.245   9.109   9.109
  286   1HA   GLY  37          1HA       GLY  37   5.285   8.844   8.844
  287   2HA   GLY  37          2HA       GLY  37   5.031  10.366  10.366
  288    H    ALA  38           H        ALA  38   2.085   9.677   9.677
  289    HA   ALA  38           HA       ALA  38   2.152   8.887   8.887
  290   1HB   ALA  38          1HB       ALA  38   0.213   9.222   9.222
  291   2HB   ALA  38          2HB       ALA  38  -0.092   7.607   7.607
  292   3HB   ALA  38          3HB       ALA  38  -0.075   9.034   9.034
  293    H    LYS  39           H        LYS  39   2.893   7.149   7.149
  294    HA   LYS  39           HA       LYS  39   3.829   4.876   4.876
  295   1HB   LYS  39          2HB       LYS  39   4.856   5.783   5.783
  296   2HB   LYS  39          1HB       LYS  39   3.432   5.328   5.328
  297   1HG   LYS  39          2HG       LYS  39   4.504   3.100   3.100
  298   2HG   LYS  39          1HG       LYS  39   5.665   3.707   3.707
  299   1HD   LYS  39          2HD       LYS  39   2.920   3.396   3.396
  300   2HD   LYS  39          1HD       LYS  39   3.639   1.891   1.891
  301   1HE   LYS  39          2HE       LYS  39   5.052   1.835   1.835
  302   2HE   LYS  39          1HE       LYS  39   5.614   3.466   3.466
  303   1HZ   LYS  39          1HZ       LYS  39   4.290   4.235   4.235
  304   2HZ   LYS  39          2HZ       LYS  39   2.963   3.485   3.485
  305    H    CYS  40           H        CYS  40   3.066   2.679   2.679
  306    HA   CYS  40           HA       CYS  40   0.425   2.283   2.283
  307   1HB   CYS  40          2HB       CYS  40  -0.167   1.188   1.188
  308   2HB   CYS  40          1HB       CYS  40  -0.516   2.868   2.868
  309    H    GLU  41           H        GLU  41  -0.128  -0.235  -0.235
  310    HA   GLU  41           HA       GLU  41   2.272  -1.772  -1.772
  311   1HB   GLU  41          2HB       GLU  41   1.431  -3.205  -3.205
  312   2HB   GLU  41          1HB       GLU  41   2.306  -1.723  -1.723
  313   1HG   GLU  41          2HG       GLU  41  -0.626  -1.342  -1.342
  314   2HG   GLU  41          1HG       GLU  41  -0.186  -2.366  -2.366
  315    HE2  GLU  41          2HE       GLU  41   0.492   1.530   1.530
  316    H    PHE  42           H        PHE  42   1.867  -3.981  -3.981
  317    HA   PHE  42           HA       PHE  42  -0.829  -4.268  -4.268
  318   1HB   PHE  42          2HB       PHE  42   1.110  -4.282  -4.282
  319   2HB   PHE  42          1HB       PHE  42   1.928  -5.490  -5.490
  320    HD1  PHE  42          1HD       PHE  42   1.046  -7.820  -7.820
  321    HD2  PHE  42          2HD       PHE  42  -0.537  -4.903  -4.903
  322    HE1  PHE  42          1HE       PHE  42   0.002  -9.638  -9.638
  323    HE2  PHE  42          2HE       PHE  42  -1.581  -6.721  -6.721
  324    HZ   PHE  42           HZ       PHE  42  -1.299  -9.066  -9.066
  325    H    ASP  43           H        ASP  43  -2.143  -5.453  -5.453
  326    HA   ASP  43           HA       ASP  43  -1.072  -7.292  -7.292
  327   1HB   ASP  43          2HB       ASP  43  -3.500  -5.964  -5.964
  328   2HB   ASP  43          1HB       ASP  43  -3.928  -7.622  -7.622
  329    HD2  ASP  43          2HD       ASP  43  -3.546  -6.218  -6.218
  330    H    SER  44           H        SER  44  -0.968  -9.595  -9.595
  331    HA   SER  44           HA       SER  44  -1.498 -10.600 -10.600
  332   1HB   SER  44          2HB       SER  44   0.174 -12.213 -12.213
  333   2HB   SER  44          1HB       SER  44   0.801 -10.810 -10.810
  334    HG   SER  44           HG       SER  44  -0.607 -13.043 -13.043
  335    H    TYR  45           H        TYR  45  -2.670 -10.605 -10.605
  336    HA   TYR  45           HA       TYR  45  -3.744 -13.188 -13.188
  337   1HB   TYR  45          2HB       TYR  45  -4.721 -12.237 -12.237
  338   2HB   TYR  45          1HB       TYR  45  -3.403 -11.116 -11.116
  339    HD1  TYR  45           HD1      TYR  45  -4.302  -9.334  -9.334
  340    HD2  TYR  45           HD2      TYR  45  -6.571 -11.103 -11.103
  341    HE1  TYR  45           HE1      TYR  45  -5.965  -7.415  -7.415
  342    HE2  TYR  45           HE2      TYR  45  -8.226  -9.177  -9.177
  343    HH   TYR  45           HH       TYR  45  -8.486  -7.075  -7.075
  344    H    LYS  46           H        LYS  46  -4.605 -10.450 -10.450
  345    HA   LYS  46           HA       LYS  46  -6.947 -11.900 -11.900
  346   1HB   LYS  46          2HB       LYS  46  -7.070  -9.100  -9.100
  347   2HB   LYS  46          1HB       LYS  46  -8.296  -9.749  -9.749
  348   1HG   LYS  46          2HG       LYS  46  -8.137 -11.812 -11.812
  349   2HG   LYS  46          1HG       LYS  46  -7.658 -10.495 -10.495
  350   1HD   LYS  46          2HD       LYS  46  -9.718  -9.257  -9.257
  351   2HD   LYS  46          1HD       LYS  46 -10.171 -10.426 -10.426
  352   1HE   LYS  46          2HE       LYS  46  -9.636 -11.651 -11.651
  353   2HE   LYS  46          1HE       LYS  46 -10.961 -10.504 -10.504
  354   1HZ   LYS  46          1HZ       LYS  46 -12.232 -11.993 -11.993
  355   2HZ   LYS  46          2HZ       LYS  46 -11.167 -12.153 -12.153
  356    H    GLY  47           H        GLY  47  -5.343  -8.652  -8.652
  357   1HA   GLY  47          1HA       GLY  47  -3.893  -8.303  -8.303
  358   2HA   GLY  47          2HA       GLY  47  -4.963  -9.306  -9.306
  359    H    LYS  48           H        LYS  48  -5.750  -6.698  -6.698
  360    HA   LYS  48           HA       LYS  48  -7.356  -5.444  -5.444
  361   1HB   LYS  48          2HB       LYS  48  -7.488  -5.604  -5.604
  362   2HB   LYS  48          1HB       LYS  48  -8.019  -4.101  -4.101
  363   1HG   LYS  48          2HG       LYS  48 -10.008  -5.306  -5.306
  364   2HG   LYS  48          1HG       LYS  48  -9.340  -5.718  -5.718
  365   1HD   LYS  48          2HD       LYS  48  -9.870  -7.846  -7.846
  366   2HD   LYS  48          1HD       LYS  48  -8.200  -7.724  -7.724
  367   1HE   LYS  48          2HE       LYS  48  -8.838  -7.974  -7.974
  368   2HE   LYS  48          1HE       LYS  48  -9.800  -6.513  -6.513
  369   1HZ   LYS  48          1HZ       LYS  48 -11.654  -7.759  -7.759
  370   2HZ   LYS  48          2HZ       LYS  48 -11.142  -8.651  -8.651
  371    H    CYS  49           H        CYS  49  -4.276  -5.273  -5.273
  372    HA   CYS  49           HA       CYS  49  -2.675  -3.773  -3.773
  373   1HB   CYS  49          2HB       CYS  49  -3.617  -3.751  -3.751
  374   2HB   CYS  49          1HB       CYS  49  -3.926  -2.075  -2.075
  375    H    TYR  50           H        TYR  50  -3.319  -3.031  -3.031
  376    HA   TYR  50           HA       TYR  50  -5.244  -1.035  -1.035
  377   1HB   TYR  50          2HB       TYR  50  -2.789  -2.187  -2.187
  378   2HB   TYR  50          1HB       TYR  50  -3.606  -0.816  -0.816
  379    HD1  TYR  50           HD2      TYR  50  -4.912  -3.897  -3.897
  380    HD2  TYR  50           HD1      TYR  50  -4.791  -1.541  -1.541
  381    HE1  TYR  50           HE2      TYR  50  -6.581  -5.467  -5.467
  382    HE2  TYR  50           HE1      TYR  50  -6.461  -3.118  -3.118
  383    HH   TYR  50           HH       TYR  50  -7.329  -5.209  -5.209
  384    H    CYS  51           H        CYS  51  -5.214   1.087   1.087
  385    HA   CYS  51           HA       CYS  51  -3.001   2.285   2.285
  386   1HB   CYS  51          2HB       CYS  51  -4.313   4.436   4.436
  387   2HB   CYS  51          1HB       CYS  51  -5.015   3.238   3.238

  Start of MODEL   15
    1    H    ALA   1           H        ALA   1   3.163 -11.809 -11.809
    2    HA   ALA   1           HA       ALA   1   4.699 -11.206 -11.206
    3   1HB   ALA   1          2HB       ALA   1   2.488 -12.810 -12.810
    4   2HB   ALA   1          3HB       ALA   1   3.418 -11.967 -11.967
    5   3HB   ALA   1          1HB       ALA   1   4.246 -13.059 -13.059
    6    H    THR   2           H        THR   2   2.424  -9.113  -9.113
    7    HA   THR   2           HA       THR   2   1.912  -7.707  -7.707
    8    HB   THR   2           HB       THR   2   2.212  -6.580  -6.580
    9    HG1  THR   2          1HG       THR   2  -0.166  -7.340  -7.340
   10   1HG2  THR   2          2HG2      THR   2   1.260  -5.465  -5.465
   11   2HG2  THR   2          3HG2      THR   2  -0.189  -5.891  -5.891
   12   3HG2  THR   2          1HG2      THR   2   1.034  -4.800  -4.800
   13    H    TYR   3           H        TYR   3   2.867  -5.923  -5.923
   14    HA   TYR   3           HA       TYR   3   5.736  -5.723  -5.723
   15   1HB   TYR   3          2HB       TYR   3   4.038  -4.762  -4.762
   16   2HB   TYR   3          1HB       TYR   3   5.781  -4.941  -4.941
   17    HD1  TYR   3           HD1      TYR   3   5.932  -7.663  -7.663
   18    HD2  TYR   3           HD2      TYR   3   3.465  -6.195  -6.195
   19    HE1  TYR   3           HE1      TYR   3   5.692 -10.023 -10.023
   20    HE2  TYR   3           HE2      TYR   3   3.234  -8.560  -8.560
   21    HH   TYR   3           HH       TYR   3   4.275 -11.294 -11.294
   22    H    ASN   4           H        ASN   4   6.124  -3.260  -3.260
   23    HA   ASN   4           HA       ASN   4   4.448  -1.324  -1.324
   24   1HB   ASN   4          2HB       ASN   4   7.375  -1.672  -1.672
   25   2HB   ASN   4          1HB       ASN   4   6.525  -0.158  -0.158
   26   1HD2  ASN   4          2HD2      ASN   4   5.609  -3.520  -3.520
   27   2HD2  ASN   4          1HD2      ASN   4   6.457  -3.614  -3.614
   28    H    GLY   5           H        GLY   5   4.661   0.727   0.727
   29   1HA   GLY   5          1HA       GLY   5   6.891   1.292   1.292
   30   2HA   GLY   5          2HA       GLY   5   5.504   0.730   0.730
   31    H    LYS   6           H        LYS   6   4.754   2.601   2.601
   32    HA   LYS   6           HA       LYS   6   3.619   4.570   4.570
   33   1HB   LYS   6          2HB       LYS   6   5.552   5.406   5.406
   34   2HB   LYS   6          1HB       LYS   6   4.670   6.463   6.463
   35   1HG   LYS   6          2HG       LYS   6   5.832   5.197   5.197
   36   2HG   LYS   6          1HG       LYS   6   6.875   4.490   4.490
   37   1HD   LYS   6          2HD       LYS   6   7.615   6.740   6.740
   38   2HD   LYS   6          1HD       LYS   6   6.502   7.497   7.497
   39   1HE   LYS   6          2HE       LYS   6   8.274   5.515   5.515
   40   2HE   LYS   6          1HE       LYS   6   9.160   6.822   6.822
   41   1HZ   LYS   6          1HZ       LYS   6   7.235   8.200   8.200
   42   2HZ   LYS   6          2HZ       LYS   6   7.332   6.943   6.943
   43    H    CYS   7           H        CYS   7   1.865   5.732   5.732
   44    HA   CYS   7           HA       CYS   7   1.098   4.668   4.668
   45   1HB   CYS   7          2HB       CYS   7  -0.321   3.588   3.588
   46   2HB   CYS   7          1HB       CYS   7  -0.572   5.049   5.049
   47    H    TYR   8           H        TYR   8  -0.408   6.212   6.212
   48    HA   TYR   8           HA       TYR   8   0.249   8.985   8.985
   49   1HB   TYR   8          2HB       TYR   8  -0.370   7.587   7.587
   50   2HB   TYR   8          1HB       TYR   8   0.002   9.293   9.293
   51    HD1  TYR   8           HD2      TYR   8   2.127   8.264   8.264
   52    HD2  TYR   8           HD1      TYR   8   1.547   7.678   7.678
   53    HE1  TYR   8           HE2      TYR   8   4.601   7.748   7.748
   54    HE2  TYR   8           HE1      TYR   8   4.023   7.164   7.164
   55    HH   TYR   8           HH       TYR   8   6.169   7.885   7.885
   56    H    LYS   9           H        LYS   9  -1.379  10.621  10.621
   57    HA   LYS   9           HA       LYS   9  -4.046   9.532   9.532
   58   1HB   LYS   9          2HB       LYS   9  -4.644  11.787  11.787
   59   2HB   LYS   9          1HB       LYS   9  -3.244  11.219  11.219
   60   1HG   LYS   9          2HG       LYS   9  -2.488  13.335  13.335
   61   2HG   LYS   9          1HG       LYS   9  -1.885  12.409  12.409
   62   1HD   LYS   9          2HD       LYS   9  -2.974  14.066  14.066
   63   2HD   LYS   9          1HD       LYS   9  -4.325  12.966  12.966
   64   1HE   LYS   9          2HE       LYS   9  -5.407  14.325  14.325
   65   2HE   LYS   9          1HE       LYS   9  -3.914  14.868  14.868
   66   1HZ   LYS   9          1HZ       LYS   9  -3.641  16.048  16.048
   67   2HZ   LYS   9          2HZ       LYS   9  -5.266  15.947  15.947
   68    H    LYS  10           H        LYS  10  -2.219  11.779  11.779
   69    HA   LYS  10           HA       LYS  10  -4.352  12.369  12.369
   70   1HB   LYS  10          2HB       LYS  10  -1.702  13.107  13.107
   71   2HB   LYS  10          1HB       LYS  10  -1.712  12.231  12.231
   72   1HG   LYS  10          2HG       LYS  10  -3.322  13.685  13.685
   73   2HG   LYS  10          1HG       LYS  10  -3.876  14.280  14.280
   74   1HD   LYS  10          2HD       LYS  10  -0.990  14.753  14.753
   75   2HD   LYS  10          1HD       LYS  10  -2.212  15.718  15.718
   76   1HE   LYS  10          2HE       LYS  10  -2.104  15.430  15.430
   77   2HE   LYS  10          1HE       LYS  10  -1.230  16.688  16.688
   78   1HZ   LYS  10          1HZ       LYS  10  -3.975  16.534  16.534
   79   2HZ   LYS  10          2HZ       LYS  10  -3.842  16.839  16.839
   80    H    ASP  11           H        ASP  11  -2.127   9.574   9.574
   81    HA   ASP  11           HA       ASP  11  -3.351   8.535   8.535
   82   1HB   ASP  11          2HB       ASP  11  -1.142   7.330   7.330
   83   2HB   ASP  11          1HB       ASP  11  -1.606   6.793   6.793
   84    HD1  ASP  11          2HD       ASP  11  -0.072  10.430  10.430
   85    H    ASN  12           H        ASN  12  -3.436   8.369   8.369
   86    HA   ASN  12           HA       ASN  12  -4.416   7.083   7.083
   87   1HB   ASN  12          2HB       ASN  12  -6.498   7.804   7.804
   88   2HB   ASN  12          1HB       ASN  12  -6.291   6.744   6.744
   89   1HD2  ASN  12          2HD2      ASN  12  -6.834   4.672   4.672
   90   2HD2  ASN  12          1HD2      ASN  12  -5.565   5.830   5.830
   91    H    ILE  13           H        ILE  13  -2.231   5.751   5.751
   92    HA   ILE  13           HA       ILE  13  -3.147   2.997   2.997
   93    HB   ILE  13           HB       ILE  13  -1.212   2.695   2.695
   94   1HG1  ILE  13          2HG1      ILE  13  -1.350   4.594   4.594
   95   2HG1  ILE  13          3HG1      ILE  13  -2.069   5.567   5.567
   96   1HG2  ILE  13          1HG2      ILE  13  -4.110   3.257   3.257
   97   2HG2  ILE  13          2HG2      ILE  13  -3.143   3.287   3.287
   98   3HG2  ILE  13          3HG2      ILE  13  -3.157   1.830   1.830
   99   1HD1  ILE  13          1HD1      ILE  13   0.478   4.092   4.092
  100   2HD1  ILE  13          2HD1      ILE  13   0.577   5.537   5.537
  101   3HD1  ILE  13          3HD1      ILE  13  -0.105   5.662   5.662
  102    H    CYS  14           H        CYS  14  -1.712   1.539   1.539
  103    HA   CYS  14           HA       CYS  14   0.331   2.905   2.905
  104   1HB   CYS  14          2HB       CYS  14  -1.124   1.771   1.771
  105   2HB   CYS  14          1HB       CYS  14  -1.237   0.373   0.373
  106    H    LYS  15           H        LYS  15   2.467   2.640   2.640
  107    HA   LYS  15           HA       LYS  15   3.078   0.366   0.366
  108   1HB   LYS  15          2HB       LYS  15   4.577   2.991   2.991
  109   2HB   LYS  15          1HB       LYS  15   4.694   1.708   1.708
  110   1HG   LYS  15          2HG       LYS  15   2.791   2.373   2.373
  111   2HG   LYS  15          1HG       LYS  15   1.938   2.769   2.769
  112   1HD   LYS  15          2HD       LYS  15   2.271   4.946   4.946
  113   2HD   LYS  15          1HD       LYS  15   3.910   4.714   4.714
  114   1HE   LYS  15          2HE       LYS  15   4.583   5.261   5.261
  115   2HE   LYS  15          1HE       LYS  15   4.040   3.664   3.664
  116   1HZ   LYS  15          1HZ       LYS  15   2.771   6.223   6.223
  117   2HZ   LYS  15          2HZ       LYS  15   2.682   4.852   4.852
  118    H    TYR  16           H        TYR  16   4.615  -1.068  -1.068
  119    HA   TYR  16           HA       TYR  16   6.558  -0.268  -0.268
  120   1HB   TYR  16          2HB       TYR  16   5.721  -2.239  -2.239
  121   2HB   TYR  16          1HB       TYR  16   4.677  -0.831  -0.831
  122    HD1  TYR  16           HD1      TYR  16   2.825  -0.890  -0.890
  123    HD2  TYR  16           HD2      TYR  16   4.720  -4.315  -4.315
  124    HE1  TYR  16           HE1      TYR  16   0.878  -2.348  -2.348
  125    HE2  TYR  16           HE2      TYR  16   2.766  -5.762  -5.762
  126    HH   TYR  16           HH       TYR  16  -0.147  -4.371  -4.371
  127    H    LYS  17           H        LYS  17   8.092  -2.120  -2.120
  128    HA   LYS  17           HA       LYS  17   8.446  -3.634  -3.634
  129   1HB   LYS  17          2HB       LYS  17  10.236  -2.163  -2.163
  130   2HB   LYS  17          1HB       LYS  17  10.398  -3.514  -3.514
  131   1HG   LYS  17          2HG       LYS  17  11.707  -4.584  -4.584
  132   2HG   LYS  17          1HG       LYS  17  10.364  -4.637  -4.637
  133   1HD   LYS  17          2HD       LYS  17  10.988  -2.234  -2.234
  134   2HD   LYS  17          1HD       LYS  17  12.448  -2.425  -2.425
  135   1HE   LYS  17          2HE       LYS  17  12.580  -4.721  -4.721
  136   2HE   LYS  17          1HE       LYS  17  11.692  -3.710  -3.710
  137   1HZ   LYS  17          1HZ       LYS  17  13.559  -2.555  -2.555
  138   2HZ   LYS  17          2HZ       LYS  17  13.876  -2.275  -2.275
  139    H    ALA  18           H        ALA  18   7.132  -5.423  -5.423
  140    HA   ALA  18           HA       ALA  18   6.153  -6.814  -6.814
  141   1HB   ALA  18          2HB       ALA  18   5.894  -7.126  -7.126
  142   2HB   ALA  18          3HB       ALA  18   7.290  -8.223  -8.223
  143   3HB   ALA  18          1HB       ALA  18   5.794  -8.579  -8.579
  144    H    GLN  19           H        GLN  19   6.776  -8.934  -8.934
  145    HA   GLN  19           HA       GLN  19   9.251  -8.701  -8.701
  146   1HB   GLN  19          2HB       GLN  19   6.978 -10.109 -10.109
  147   2HB   GLN  19          1HB       GLN  19   7.976 -11.408 -11.408
  148   1HG   GLN  19          2HG       GLN  19   9.818 -10.527 -10.527
  149   2HG   GLN  19          1HG       GLN  19   8.532  -9.609  -9.609
  150   1HE2  GLN  19          2HE2      GLN  19   7.535 -12.233 -12.233
  151   2HE2  GLN  19          1HE2      GLN  19   7.791 -10.540 -10.540
  152    H    SER  20           H        SER  20   8.383  -9.875  -9.875
  153    HA   SER  20           HA       SER  20  11.049 -11.009 -11.009
  154   1HB   SER  20          2HB       SER  20   9.709 -12.540 -12.540
  155   2HB   SER  20          1HB       SER  20  10.025 -13.047 -13.047
  156    HG   SER  20           HG       SER  20   7.613 -11.763 -11.763
  157    H    GLY  21           H        GLY  21   9.219  -8.479  -8.479
  158   1HA   GLY  21          1HA       GLY  21   9.459  -6.900  -6.900
  159   2HA   GLY  21          2HA       GLY  21  10.570  -7.943  -7.943
  160    H    LYS  22           H        LYS  22   7.896  -9.859  -9.859
  161    HA   LYS  22           HA       LYS  22   7.068  -9.892  -9.892
  162   1HB   LYS  22          2HB       LYS  22   7.033 -11.809 -11.809
  163   2HB   LYS  22          1HB       LYS  22   5.642 -11.064 -11.064
  164   1HG   LYS  22          2HG       LYS  22   4.516 -11.059 -11.059
  165   2HG   LYS  22          1HG       LYS  22   5.850 -12.043 -12.043
  166   1HD   LYS  22          2HD       LYS  22   4.988 -13.284 -13.284
  167   2HD   LYS  22          1HD       LYS  22   3.515 -12.837 -12.837
  168   1HE   LYS  22          2HE       LYS  22   5.819 -14.397 -14.397
  169   2HE   LYS  22          1HE       LYS  22   4.355 -15.125 -15.125
  170   1HZ   LYS  22          1HZ       LYS  22   4.428 -14.555 -14.555
  171   2HZ   LYS  22          2HZ       LYS  22   3.077 -14.128 -14.128
  172    H    THR  23           H        THR  23   5.199  -8.982  -8.982
  173    HA   THR  23           HA       THR  23   3.065  -7.844  -7.844
  174    HB   THR  23           HB       THR  23   3.935  -8.269  -8.269
  175    HG1  THR  23          1HG       THR  23   1.753  -8.384  -8.384
  176   1HG2  THR  23          2HG2      THR  23   4.648  -5.637  -5.637
  177   2HG2  THR  23          3HG2      THR  23   2.941  -5.451  -5.451
  178   3HG2  THR  23          1HG2      THR  23   4.087  -6.252  -6.252
  179    H    ALA  24           H        ALA  24   2.668  -5.245  -5.245
  180    HA   ALA  24           HA       ALA  24   4.781  -3.513  -3.513
  181   1HB   ALA  24          3HB       ALA  24   4.357  -4.827  -4.827
  182   2HB   ALA  24          1HB       ALA  24   3.045  -3.635  -3.635
  183   3HB   ALA  24          2HB       ALA  24   4.729  -3.087  -3.087
  184    H    ILE  25           H        ILE  25   2.858  -1.816  -1.816
  185    HA   ILE  25           HA       ILE  25   1.690  -0.408  -0.408
  186    HB   ILE  25           HB       ILE  25   0.687  -0.305  -0.305
  187   1HG1  ILE  25          2HG1      ILE  25   2.913  -0.356  -0.356
  188   2HG1  ILE  25          3HG1      ILE  25   2.686   1.359   1.359
  189   1HG2  ILE  25          3HG2      ILE  25   0.651   1.416   1.416
  190   2HG2  ILE  25          1HG2      ILE  25   1.144   2.251   2.251
  191   3HG2  ILE  25          2HG2      ILE  25  -0.414   1.393   1.393
  192   1HD1  ILE  25          1HD1      ILE  25   3.307   0.492   0.492
  193   2HD1  ILE  25          2HD1      ILE  25   4.277  -0.614  -0.614
  194   3HD1  ILE  25          3HD1      ILE  25   4.489   1.147   1.147
  195    H    CYS  26           H        CYS  26  -0.367  -0.369  -0.369
  196    HA   CYS  26           HA       CYS  26  -2.314  -2.233  -2.233
  197   1HB   CYS  26          2HB       CYS  26  -0.735  -3.169  -3.169
  198   2HB   CYS  26          1HB       CYS  26  -1.932  -2.354  -2.354
  199    H    LYS  27           H        LYS  27  -3.954  -0.770  -0.770
  200    HA   LYS  27           HA       LYS  27  -4.315   1.690   1.690
  201   1HB   LYS  27          2HB       LYS  27  -6.636  -0.234  -0.234
  202   2HB   LYS  27          1HB       LYS  27  -6.634   1.493   1.493
  203   1HG   LYS  27          2HG       LYS  27  -4.575   0.535   0.535
  204   2HG   LYS  27          1HG       LYS  27  -5.809  -0.703  -0.703
  205   1HD   LYS  27          2HD       LYS  27  -7.454   1.374   1.374
  206   2HD   LYS  27          1HD       LYS  27  -5.990   2.225   2.225
  207   1HE   LYS  27          2HE       LYS  27  -5.521   0.491   0.491
  208   2HE   LYS  27          1HE       LYS  27  -6.989  -0.355  -0.355
  209   1HZ   LYS  27          1HZ       LYS  27  -6.808   2.361   2.361
  210   2HZ   LYS  27          2HZ       LYS  27  -7.519   1.052   1.052
  211    H    CYS  28           H        CYS  28  -5.284   2.790   2.790
  212    HA   CYS  28           HA       CYS  28  -5.085   1.287   1.287
  213   1HB   CYS  28          2HB       CYS  28  -4.544   3.936   3.936
  214   2HB   CYS  28          1HB       CYS  28  -5.917   4.039   4.039
  215    H    TYR  29           H        TYR  29  -6.963  -0.070  -0.070
  216    HA   TYR  29           HA       TYR  29  -9.516   0.911   0.911
  217   1HB   TYR  29          2HB       TYR  29  -8.537  -1.504  -1.504
  218   2HB   TYR  29          1HB       TYR  29  -8.652  -1.404  -1.404
  219    HD1  TYR  29           HD2      TYR  29 -11.139  -0.110  -0.110
  220    HD2  TYR  29           HD1      TYR  29 -10.230  -3.105  -3.105
  221    HE1  TYR  29           HE2      TYR  29 -13.536  -0.951  -0.951
  222    HE2  TYR  29           HE1      TYR  29 -12.630  -3.936  -3.936
  223    HH   TYR  29           HH       TYR  29 -15.057  -2.184  -2.184
  224    H    VAL  30           H        VAL  30 -10.883   2.187   2.187
  225    HA   VAL  30           HA       VAL  30 -11.956   3.095   3.095
  226    HB   VAL  30           HB       VAL  30 -12.345   1.882   1.882
  227   1HG1  VAL  30          2HG1      VAL  30 -11.984   0.324   0.324
  228   2HG1  VAL  30          3HG1      VAL  30 -10.749  -0.396  -0.396
  229   3HG1  VAL  30          1HG1      VAL  30 -12.448  -0.332  -0.332
  230   1HG2  VAL  30          1HG2      VAL  30  -9.400   1.852   1.852
  231   2HG2  VAL  30          2HG2      VAL  30 -10.647   2.061   2.061
  232   3HG2  VAL  30          3HG2      VAL  30 -10.216   0.428   0.428
  233    H    LYS  31           H        LYS  31 -11.616   4.877   4.877
  234    HA   LYS  31           HA       LYS  31 -10.419   6.729   6.729
  235   1HB   LYS  31          2HB       LYS  31 -10.327   5.057   5.057
  236   2HB   LYS  31          1HB       LYS  31  -8.626   4.921   4.921
  237   1HG   LYS  31          2HG       LYS  31  -8.297   7.333   7.333
  238   2HG   LYS  31          1HG       LYS  31 -10.021   7.600   7.600
  239   1HD   LYS  31          2HD       LYS  31  -8.868   5.626   5.626
  240   2HD   LYS  31          1HD       LYS  31  -8.283   7.266   7.266
  241   1HE   LYS  31          2HE       LYS  31 -10.245   7.933   7.933
  242   2HE   LYS  31          1HE       LYS  31 -11.166   7.312   7.312
  243   1HZ   LYS  31          1HZ       LYS  31 -11.770   6.141   6.141
  244   2HZ   LYS  31          2HZ       LYS  31 -11.024   5.083   5.083
  245    H    LYS  32           H        LYS  32  -9.632   7.198   7.198
  246    HA   LYS  32           HA       LYS  32  -7.428   6.087   6.087
  247   1HB   LYS  32          2HB       LYS  32  -8.098   9.024   9.024
  248   2HB   LYS  32          1HB       LYS  32  -7.422   7.967   7.967
  249   1HG   LYS  32          2HG       LYS  32  -9.530   7.587   7.587
  250   2HG   LYS  32          1HG       LYS  32  -9.837   6.703   6.703
  251   1HD   LYS  32          2HD       LYS  32 -11.500   8.550   8.550
  252   2HD   LYS  32          1HD       LYS  32 -10.672   8.699   8.699
  253   1HE   LYS  32          2HE       LYS  32  -9.452  10.569  10.569
  254   2HE   LYS  32          1HE       LYS  32  -9.392  10.070  10.070
  255   1HZ   LYS  32          1HZ       LYS  32 -10.896  11.952  11.952
  256   2HZ   LYS  32          2HZ       LYS  32 -11.761  10.659  10.659
  257    H    CYS  33           H        CYS  33  -5.345   7.658   7.658
  258    HA   CYS  33           HA       CYS  33  -3.979   7.595   7.595
  259   1HB   CYS  33          2HB       CYS  33  -3.202   7.253   7.253
  260   2HB   CYS  33          1HB       CYS  33  -2.747   8.932   8.932
  261    HA   PRO  34           HA       PRO  34  -4.708  11.767  11.767
  262   1HB   PRO  34          2HB       PRO  34  -2.756  12.152  12.152
  263   2HB   PRO  34          1HB       PRO  34  -4.280  11.361  11.361
  264   1HG   PRO  34          2HG       PRO  34  -1.603  10.156  10.156
  265   2HG   PRO  34          1HG       PRO  34  -3.027   9.468   9.468
  266   1HD   PRO  34          2HD       PRO  34  -2.001   8.855   8.855
  267   2HD   PRO  34          1HD       PRO  34  -3.487   8.256   8.256
  268    H    ARG  35           H        ARG  35  -1.355  10.938  10.938
  269    HA   ARG  35           HA       ARG  35  -1.245  13.001  13.001
  270   1HB   ARG  35          2HB       ARG  35   0.525  14.380  14.380
  271   2HB   ARG  35          1HB       ARG  35  -0.947  14.404  14.404
  272   1HG   ARG  35          2HG       ARG  35   0.577  12.149  12.149
  273   2HG   ARG  35          1HG       ARG  35   1.698  13.489  13.489
  274   1HD   ARG  35          2HD       ARG  35  -0.164  14.874  14.874
  275   2HD   ARG  35          1HD       ARG  35  -0.824  13.308  13.308
  276    HE   ARG  35           HE       ARG  35   1.064  12.883  12.883
  277   1HH1  ARG  35          2HH2      ARG  35   1.512  15.883  15.883
  278   2HH1  ARG  35          1HH2      ARG  35   2.874  16.398  16.398
  279    HH2  ARG  35          1HH       ARG  35   3.649  15.017  15.017
  280    H    ASP  36           H        ASP  36   0.456  12.572  12.572
  281    HA   ASP  36           HA       ASP  36   1.479  10.199  10.199
  282   1HB   ASP  36          2HB       ASP  36   2.099  11.636  11.636
  283   2HB   ASP  36          1HB       ASP  36   2.521  12.935  12.935
  284    HD1  ASP  36          2HD       ASP  36   5.666  11.304  11.304
  285    H    GLY  37           H        GLY  37   3.166   8.886   8.886
  286   1HA   GLY  37          1HA       GLY  37   5.202   8.573   8.573
  287   2HA   GLY  37          2HA       GLY  37   4.993  10.102  10.102
  288    H    ALA  38           H        ALA  38   2.021   9.431   9.431
  289    HA   ALA  38           HA       ALA  38   2.079   8.684   8.684
  290   1HB   ALA  38          2HB       ALA  38   0.147   8.933   8.933
  291   2HB   ALA  38          3HB       ALA  38  -0.158   7.362   7.362
  292   3HB   ALA  38          1HB       ALA  38  -0.141   8.850   8.850
  293    H    LYS  39           H        LYS  39   2.874   6.983   6.983
  294    HA   LYS  39           HA       LYS  39   3.745   4.660   4.660
  295   1HB   LYS  39          2HB       LYS  39   4.974   5.574   5.574
  296   2HB   LYS  39          1HB       LYS  39   3.599   5.327   5.327
  297   1HG   LYS  39          2HG       LYS  39   3.737   2.815   2.815
  298   2HG   LYS  39          1HG       LYS  39   5.328   3.215   3.215
  299   1HD   LYS  39          2HD       LYS  39   4.614   4.029   4.029
  300   2HD   LYS  39          1HD       LYS  39   5.016   2.354   2.354
  301   1HE   LYS  39          2HE       LYS  39   7.238   2.818   2.818
  302   2HE   LYS  39          1HE       LYS  39   6.922   4.194   4.194
  303   1HZ   LYS  39          1HZ       LYS  39   6.710   4.235   4.235
  304   2HZ   LYS  39          2HZ       LYS  39   7.931   4.885   4.885
  305    H    CYS  40           H        CYS  40   2.978   2.481   2.481
  306    HA   CYS  40           HA       CYS  40   0.457   2.110   2.110
  307   1HB   CYS  40          2HB       CYS  40  -0.266   0.984   0.984
  308   2HB   CYS  40          1HB       CYS  40  -0.773   2.570   2.570
  309    H    GLU  41           H        GLU  41  -0.218  -0.397  -0.397
  310    HA   GLU  41           HA       GLU  41   2.213  -1.925  -1.925
  311   1HB   GLU  41          2HB       GLU  41   0.294  -2.590  -2.590
  312   2HB   GLU  41          1HB       GLU  41   1.898  -3.240  -3.240
  313   1HG   GLU  41          2HG       GLU  41   2.194  -1.644  -1.644
  314   2HG   GLU  41          1HG       GLU  41   2.788  -0.837  -0.837
  315    HE1  GLU  41          2HE       GLU  41  -0.732   0.221   0.221
  316    H    PHE  42           H        PHE  42   1.862  -4.030  -4.030
  317    HA   PHE  42           HA       PHE  42  -0.838  -4.338  -4.338
  318   1HB   PHE  42          2HB       PHE  42   1.109  -4.202  -4.202
  319   2HB   PHE  42          1HB       PHE  42   1.939  -5.468  -5.468
  320    HD1  PHE  42          2HD       PHE  42  -1.042  -4.795  -4.795
  321    HD2  PHE  42          1HD       PHE  42   1.589  -7.732  -7.732
  322    HE1  PHE  42          2HE       PHE  42  -2.069  -6.519  -6.519
  323    HE2  PHE  42          1HE       PHE  42   0.562  -9.457  -9.457
  324    HZ   PHE  42           HZ       PHE  42  -1.255  -8.830  -8.830
  325    H    ASP  43           H        ASP  43  -2.017  -5.484  -5.484
  326    HA   ASP  43           HA       ASP  43  -0.916  -7.439  -7.439
  327   1HB   ASP  43          2HB       ASP  43  -3.125  -7.822  -7.822
  328   2HB   ASP  43          1HB       ASP  43  -3.189  -6.168  -6.168
  329    HD2  ASP  43          2HD       ASP  43  -5.398  -8.311  -8.311
  330    H    SER  44           H        SER  44  -0.282  -9.534  -9.534
  331    HA   SER  44           HA       SER  44  -1.024 -10.495 -10.495
  332   1HB   SER  44          2HB       SER  44   0.766 -12.023 -12.023
  333   2HB   SER  44          1HB       SER  44   1.341 -10.595 -10.595
  334    HG   SER  44           HG       SER  44   0.545 -11.628 -11.628
  335    H    TYR  45           H        TYR  45  -2.850 -10.322 -10.322
  336    HA   TYR  45           HA       TYR  45  -3.505 -13.166 -13.166
  337   1HB   TYR  45          2HB       TYR  45  -4.838 -10.857 -10.857
  338   2HB   TYR  45          1HB       TYR  45  -4.468 -12.455 -12.455
  339    HD1  TYR  45           HD1      TYR  45  -1.636 -12.811 -12.811
  340    HD2  TYR  45           HD2      TYR  45  -3.767  -9.248  -9.248
  341    HE1  TYR  45           HE1      TYR  45   0.444 -11.887 -11.887
  342    HE2  TYR  45           HE2      TYR  45  -1.679  -8.336  -8.336
  343    HH   TYR  45           HH       TYR  45   1.362 -10.159 -10.159
  344    H    LYS  46           H        LYS  46  -4.632 -10.059 -10.059
  345    HA   LYS  46           HA       LYS  46  -7.066 -11.440 -11.440
  346   1HB   LYS  46          2HB       LYS  46  -6.841  -8.502  -8.502
  347   2HB   LYS  46          1HB       LYS  46  -8.284  -9.352  -9.352
  348   1HG   LYS  46          2HG       LYS  46  -8.020 -10.876 -10.876
  349   2HG   LYS  46          1HG       LYS  46  -6.705  -9.850  -9.850
  350   1HD   LYS  46          2HD       LYS  46  -8.216  -7.896  -7.896
  351   2HD   LYS  46          1HD       LYS  46  -9.535  -8.842  -8.842
  352   1HE   LYS  46          2HE       LYS  46 -10.103  -9.407  -9.407
  353   2HE   LYS  46          1HE       LYS  46  -8.638 -10.364 -10.364
  354   1HZ   LYS  46          1HZ       LYS  46  -9.198  -7.990  -7.990
  355   2HZ   LYS  46          2HZ       LYS  46  -7.853  -8.902  -8.902
  356    H    GLY  47           H        GLY  47  -4.749  -8.724  -8.724
  357   1HA   GLY  47          1HA       GLY  47  -3.565  -8.774  -8.774
  358   2HA   GLY  47          2HA       GLY  47  -5.022  -9.364  -9.364
  359    H    LYS  48           H        LYS  48  -5.223  -6.890  -6.890
  360    HA   LYS  48           HA       LYS  48  -6.376  -5.078  -5.078
  361   1HB   LYS  48          2HB       LYS  48  -6.778  -5.650  -5.650
  362   2HB   LYS  48          1HB       LYS  48  -6.086  -4.041  -4.041
  363   1HG   LYS  48          2HG       LYS  48  -7.830  -3.662  -3.662
  364   2HG   LYS  48          1HG       LYS  48  -8.656  -5.016  -5.016
  365   1HD   LYS  48          2HD       LYS  48  -7.760  -2.592  -2.592
  366   2HD   LYS  48          1HD       LYS  48  -9.315  -2.644  -2.644
  367   1HE   LYS  48          2HE       LYS  48  -9.885  -3.466  -3.466
  368   2HE   LYS  48          1HE       LYS  48  -9.603  -4.961  -4.961
  369   1HZ   LYS  48          1HZ       LYS  48  -8.057  -5.405  -5.405
  370   2HZ   LYS  48          2HZ       LYS  48  -7.129  -4.200  -4.200
  371    H    CYS  49           H        CYS  49  -5.531  -2.644  -2.644
  372    HA   CYS  49           HA       CYS  49  -2.678  -2.582  -2.582
  373   1HB   CYS  49          2HB       CYS  49  -3.957  -0.540  -0.540
  374   2HB   CYS  49          1HB       CYS  49  -2.417  -1.359  -1.359
  375    H    TYR  50           H        TYR  50  -3.442  -2.187  -2.187
  376    HA   TYR  50           HA       TYR  50  -4.960  -0.244  -0.244
  377   1HB   TYR  50          2HB       TYR  50  -2.147  -1.263  -1.263
  378   2HB   TYR  50          1HB       TYR  50  -2.758   0.052   0.052
  379    HD1  TYR  50           HD2      TYR  50  -3.442  -3.457  -3.457
  380    HD2  TYR  50           HD1      TYR  50  -4.275  -0.353  -0.353
  381    HE1  TYR  50           HE2      TYR  50  -4.656  -5.125  -5.125
  382    HE2  TYR  50           HE1      TYR  50  -5.486  -2.031  -2.031
  383    HH   TYR  50           HH       TYR  50  -6.029  -4.098  -4.098
  384    H    CYS  51           H        CYS  51  -4.785   2.000   2.000
  385    HA   CYS  51           HA       CYS  51  -2.615   3.450   3.450
  386   1HB   CYS  51          2HB       CYS  51  -4.722   5.084   5.084
  387   2HB   CYS  51          1HB       CYS  51  -3.873   4.044   4.044

  Start of MODEL   16
    1    H    ALA   1           H        ALA   1   2.912 -11.593 -11.593
    2    HA   ALA   1           HA       ALA   1   5.180 -11.012 -11.012
    3   1HB   ALA   1          2HB       ALA   1   2.576 -12.385 -12.385
    4   2HB   ALA   1          3HB       ALA   1   3.370 -11.829 -11.829
    5   3HB   ALA   1          1HB       ALA   1   4.227 -12.929 -12.929
    6    H    THR   2           H        THR   2   3.104  -8.744  -8.744
    7    HA   THR   2           HA       THR   2   2.163  -7.439  -7.439
    8    HB   THR   2           HB       THR   2   3.161  -5.691  -5.691
    9    HG1  THR   2          1HG       THR   2   1.651  -6.948  -6.948
   10   1HG2  THR   2          1HG2      THR   2   0.435  -6.558  -6.558
   11   2HG2  THR   2          2HG2      THR   2   0.600  -5.511  -5.511
   12   3HG2  THR   2          3HG2      THR   2   1.206  -4.961  -4.961
   13    H    TYR   3           H        TYR   3   2.944  -5.368  -5.368
   14    HA   TYR   3           HA       TYR   3   5.875  -5.320  -5.320
   15   1HB   TYR   3          2HB       TYR   3   3.952  -4.889  -4.889
   16   2HB   TYR   3          1HB       TYR   3   5.661  -5.267  -5.267
   17    HD1  TYR   3           HD2      TYR   3   2.463  -6.772  -6.772
   18    HD2  TYR   3           HD1      TYR   3   6.284  -7.442  -7.442
   19    HE1  TYR   3           HE2      TYR   3   1.910  -9.238  -9.238
   20    HE2  TYR   3           HE1      TYR   3   5.718  -9.906  -9.906
   21    HH   TYR   3           HH       TYR   3   4.299 -11.480 -11.480
   22    H    ASN   4           H        ASN   4   6.625  -3.324  -3.324
   23    HA   ASN   4           HA       ASN   4   4.812  -1.191  -1.191
   24   1HB   ASN   4          2HB       ASN   4   7.839  -0.874  -0.874
   25   2HB   ASN   4          1HB       ASN   4   6.694   0.046   0.046
   26   1HD2  ASN   4          2HD2      ASN   4   6.030  -3.028  -3.028
   27   2HD2  ASN   4          1HD2      ASN   4   5.117  -2.115  -2.115
   28    H    GLY   5           H        GLY   5   5.163   0.985   0.985
   29   1HA   GLY   5          1HA       GLY   5   6.736   1.356   1.356
   30   2HA   GLY   5          2HA       GLY   5   5.255   0.618   0.618
   31    H    LYS   6           H        LYS   6   5.023   2.769   2.769
   32    HA   LYS   6           HA       LYS   6   3.701   4.661   4.661
   33   1HB   LYS   6          2HB       LYS   6   5.298   5.535   5.535
   34   2HB   LYS   6          1HB       LYS   6   4.665   6.519   6.519
   35   1HG   LYS   6          2HG       LYS   6   6.235   5.571   5.571
   36   2HG   LYS   6          1HG       LYS   6   6.725   4.321   4.321
   37   1HD   LYS   6          2HD       LYS   6   7.482   6.262   6.262
   38   2HD   LYS   6          1HD       LYS   6   7.299   7.306   7.306
   39   1HE   LYS   6          2HE       LYS   6   9.537   6.711   6.711
   40   2HE   LYS   6          1HE       LYS   6   8.790   5.450   5.450
   41   1HZ   LYS   6          1HZ       LYS   6   9.808   5.224   5.224
   42   2HZ   LYS   6          2HZ       LYS   6  10.232   4.334   4.334
   43    H    CYS   7           H        CYS   7   2.157   6.144   6.144
   44    HA   CYS   7           HA       CYS   7   1.032   4.641   4.641
   45   1HB   CYS   7          2HB       CYS   7  -1.229   5.557   5.557
   46   2HB   CYS   7          1HB       CYS   7  -0.550   4.020   4.020
   47    H    TYR   8           H        TYR   8  -0.454   6.118   6.118
   48    HA   TYR   8           HA       TYR   8   0.488   8.901   8.901
   49   1HB   TYR   8          2HB       TYR   8  -0.085   6.995   6.995
   50   2HB   TYR   8          1HB       TYR   8   0.164   8.713   8.713
   51    HD1  TYR   8           HD2      TYR   8   1.890   5.888   5.888
   52    HD2  TYR   8           HD1      TYR   8   2.275   9.345   9.345
   53    HE1  TYR   8           HE2      TYR   8   4.400   5.510   5.510
   54    HE2  TYR   8           HE1      TYR   8   4.784   8.956   8.956
   55    HH   TYR   8           HH       TYR   8   6.217   6.036   6.036
   56    H    LYS   9           H        LYS   9  -1.045  10.521  10.521
   57    HA   LYS   9           HA       LYS   9  -3.784   9.638   9.638
   58   1HB   LYS   9          2HB       LYS   9  -4.253  11.970  11.970
   59   2HB   LYS   9          1HB       LYS   9  -2.951  11.344  11.344
   60   1HG   LYS   9          2HG       LYS   9  -1.270  12.423  12.423
   61   2HG   LYS   9          1HG       LYS   9  -2.535  12.984  12.984
   62   1HD   LYS   9          2HD       LYS   9  -2.810  13.721  13.721
   63   2HD   LYS   9          1HD       LYS   9  -1.525  14.511  14.511
   64   1HE   LYS   9          2HE       LYS   9  -3.567  14.781  14.781
   65   2HE   LYS   9          1HE       LYS   9  -4.493  14.764  14.764
   66   1HZ   LYS   9          1HZ       LYS   9  -3.376  16.974  16.974
   67   2HZ   LYS   9          2HZ       LYS   9  -3.571  16.737  16.737
   68    H    LYS  10           H        LYS  10  -1.730  11.665  11.665
   69    HA   LYS  10           HA       LYS  10  -3.748  12.299  12.299
   70   1HB   LYS  10          2HB       LYS  10  -0.964  12.717  12.717
   71   2HB   LYS  10          1HB       LYS  10  -1.189  11.997  11.997
   72   1HG   LYS  10          2HG       LYS  10  -3.150  14.135  14.135
   73   2HG   LYS  10          1HG       LYS  10  -1.502  14.665  14.665
   74   1HD   LYS  10          2HD       LYS  10  -1.587  14.249  14.249
   75   2HD   LYS  10          1HD       LYS  10  -2.508  12.771  12.771
   76   1HE   LYS  10          2HE       LYS  10  -4.346  14.705  14.705
   77   2HE   LYS  10          1HE       LYS  10  -3.468  15.542  15.542
   78   1HZ   LYS  10          1HZ       LYS  10  -5.460  13.985  13.985
   79   2HZ   LYS  10          2HZ       LYS  10  -4.153  14.008  14.008
   80    H    ASP  11           H        ASP  11  -1.984   9.306   9.306
   81    HA   ASP  11           HA       ASP  11  -3.094   8.248   8.248
   82   1HB   ASP  11          2HB       ASP  11  -0.752   7.520   7.520
   83   2HB   ASP  11          1HB       ASP  11  -1.521   6.231   6.231
   84    HD1  ASP  11          2HD       ASP  11  -1.756   8.022   8.022
   85    H    ASN  12           H        ASN  12  -3.386   8.373   8.373
   86    HA   ASN  12           HA       ASN  12  -4.495   7.255   7.255
   87   1HB   ASN  12          2HB       ASN  12  -6.480   7.976   7.976
   88   2HB   ASN  12          1HB       ASN  12  -6.248   6.790   6.790
   89   1HD2  ASN  12          2HD2      ASN  12  -7.698   5.655   5.655
   90   2HD2  ASN  12          1HD2      ASN  12  -6.688   7.048   7.048
   91    H    ILE  13           H        ILE  13  -2.414   5.724   5.724
   92    HA   ILE  13           HA       ILE  13  -3.451   3.025   3.025
   93    HB   ILE  13           HB       ILE  13  -1.418   2.406   2.406
   94   1HG1  ILE  13          2HG1      ILE  13  -1.085   4.354   4.354
   95   2HG1  ILE  13          3HG1      ILE  13  -1.536   5.380   5.380
   96   1HG2  ILE  13          2HG2      ILE  13  -4.098   2.875   2.875
   97   2HG2  ILE  13          3HG2      ILE  13  -3.236   3.741   3.741
   98   3HG2  ILE  13          1HG2      ILE  13  -2.936   2.006   2.006
   99   1HD1  ILE  13          1HD1      ILE  13   0.241   3.872   3.872
  100   2HD1  ILE  13          2HD1      ILE  13   0.881   3.614   3.614
  101   3HD1  ILE  13          3HD1      ILE  13   0.762   5.263   5.263
  102    H    CYS  14           H        CYS  14  -1.371   1.494   1.494
  103    HA   CYS  14           HA       CYS  14   0.157   2.890   2.890
  104   1HB   CYS  14          2HB       CYS  14  -1.342   1.782   1.782
  105   2HB   CYS  14          1HB       CYS  14  -1.523   0.434   0.434
  106    H    LYS  15           H        LYS  15   2.275   2.807   2.807
  107    HA   LYS  15           HA       LYS  15   3.085   0.488   0.488
  108   1HB   LYS  15          2HB       LYS  15   4.280   3.261   3.261
  109   2HB   LYS  15          1HB       LYS  15   5.021   1.954   1.954
  110   1HG   LYS  15          2HG       LYS  15   3.276   1.898   1.898
  111   2HG   LYS  15          1HG       LYS  15   2.139   2.714   2.714
  112   1HD   LYS  15          2HD       LYS  15   2.882   4.800   4.800
  113   2HD   LYS  15          1HD       LYS  15   4.567   4.321   4.321
  114   1HE   LYS  15          2HE       LYS  15   2.626   3.603   3.603
  115   2HE   LYS  15          1HE       LYS  15   3.749   4.947   4.947
  116   1HZ   LYS  15          1HZ       LYS  15   5.327   3.510   3.510
  117   2HZ   LYS  15          2HZ       LYS  15   5.191   2.651   2.651
  118    H    TYR  16           H        TYR  16   4.255  -1.086  -1.086
  119    HA   TYR  16           HA       TYR  16   6.039  -0.330  -0.330
  120   1HB   TYR  16          2HB       TYR  16   5.034  -2.090  -2.090
  121   2HB   TYR  16          1HB       TYR  16   3.717  -1.081  -1.081
  122    HD1  TYR  16           HD1      TYR  16   2.560  -1.893  -1.893
  123    HD2  TYR  16           HD2      TYR  16   4.859  -4.402  -4.402
  124    HE1  TYR  16           HE1      TYR  16   1.404  -3.948  -3.948
  125    HE2  TYR  16           HE2      TYR  16   3.696  -6.448  -6.448
  126    HH   TYR  16           HH       TYR  16   0.930  -6.159  -6.159
  127    H    LYS  17           H        LYS  17   6.328  -3.274  -3.274
  128    HA   LYS  17           HA       LYS  17   7.786  -4.018  -4.018
  129   1HB   LYS  17          2HB       LYS  17   8.669  -3.746  -3.746
  130   2HB   LYS  17          1HB       LYS  17   9.022  -5.331  -5.331
  131   1HG   LYS  17          2HG       LYS  17   9.870  -3.969  -3.969
  132   2HG   LYS  17          1HG       LYS  17   9.949  -2.624  -2.624
  133   1HD   LYS  17          2HD       LYS  17  12.009  -3.405  -3.405
  134   2HD   LYS  17          1HD       LYS  17  11.167  -4.658  -4.658
  135   1HE   LYS  17          2HE       LYS  17  11.256  -5.407  -5.407
  136   2HE   LYS  17          1HE       LYS  17  12.871  -4.965  -4.965
  137   1HZ   LYS  17          1HZ       LYS  17  11.745  -7.366  -7.366
  138   2HZ   LYS  17          2HZ       LYS  17  12.983  -6.768  -6.768
  139    H    ALA  18           H        ALA  18   7.315  -5.978  -5.978
  140    HA   ALA  18           HA       ALA  18   5.125  -7.429  -7.429
  141   1HB   ALA  18          3HB       ALA  18   6.738  -7.457  -7.457
  142   2HB   ALA  18          1HB       ALA  18   5.833  -8.926  -8.926
  143   3HB   ALA  18          2HB       ALA  18   4.975  -7.381  -7.381
  144    H    GLN  19           H        GLN  19   5.302  -9.923  -9.923
  145    HA   GLN  19           HA       GLN  19   6.994 -10.571 -10.571
  146   1HB   GLN  19          2HB       GLN  19   4.940 -11.835 -11.835
  147   2HB   GLN  19          1HB       GLN  19   6.008 -12.566 -12.566
  148   1HG   GLN  19          2HG       GLN  19   5.699 -13.979 -13.979
  149   2HG   GLN  19          1HG       GLN  19   7.376 -13.584 -13.584
  150   1HE2  GLN  19          2HE2      GLN  19   7.962 -11.962 -11.962
  151   2HE2  GLN  19          1HE2      GLN  19   8.545 -12.650 -12.650
  152    H    SER  20           H        SER  20   7.565 -10.617 -10.617
  153    HA   SER  20           HA       SER  20  10.301 -11.424 -11.424
  154   1HB   SER  20          2HB       SER  20   8.392 -12.711 -12.711
  155   2HB   SER  20          1HB       SER  20   9.656 -12.035 -12.035
  156    HG   SER  20           HG       SER  20  10.167 -14.201 -14.201
  157    H    GLY  21           H        GLY  21   8.850  -8.744  -8.744
  158   1HA   GLY  21          1HA       GLY  21   9.547  -6.707  -6.707
  159   2HA   GLY  21          2HA       GLY  21  10.823  -7.465  -7.465
  160    H    LYS  22           H        LYS  22   8.121  -9.204  -9.204
  161    HA   LYS  22           HA       LYS  22   8.005  -8.222  -8.222
  162   1HB   LYS  22          2HB       LYS  22   6.699 -10.237 -10.237
  163   2HB   LYS  22          1HB       LYS  22   5.504  -9.412  -9.412
  164   1HG   LYS  22          2HG       LYS  22   6.983  -9.756  -9.756
  165   2HG   LYS  22          1HG       LYS  22   8.095 -10.667 -10.667
  166   1HD   LYS  22          2HD       LYS  22   6.856 -12.480 -12.480
  167   2HD   LYS  22          1HD       LYS  22   5.736 -11.948 -11.948
  168   1HE   LYS  22          2HE       LYS  22   5.465 -10.651 -10.651
  169   2HE   LYS  22          1HE       LYS  22   4.994 -12.335 -12.335
  170   1HZ   LYS  22          1HZ       LYS  22   3.640 -10.051 -10.051
  171   2HZ   LYS  22          2HZ       LYS  22   3.075 -11.567 -11.567
  172    H    THR  23           H        THR  23   5.008  -8.103  -8.103
  173    HA   THR  23           HA       THR  23   4.027  -5.851  -5.851
  174    HB   THR  23           HB       THR  23   3.298  -7.689  -7.689
  175    HG1  THR  23          1HG       THR  23   2.222  -7.022  -7.022
  176   1HG2  THR  23          1HG2      THR  23   2.892  -4.713  -4.713
  177   2HG2  THR  23          2HG2      THR  23   1.744  -5.938  -5.938
  178   3HG2  THR  23          3HG2      THR  23   3.439  -5.970  -5.970
  179    H    ALA  24           H        ALA  24   3.882  -3.650  -3.650
  180    HA   ALA  24           HA       ALA  24   5.545  -2.724  -2.724
  181   1HB   ALA  24          1HB       ALA  24   6.011  -2.252  -2.252
  182   2HB   ALA  24          2HB       ALA  24   6.403  -0.964  -0.964
  183   3HB   ALA  24          3HB       ALA  24   7.188  -2.555  -2.555
  184    H    ILE  25           H        ILE  25   2.582  -2.944  -2.944
  185    HA   ILE  25           HA       ILE  25   1.863  -0.327  -0.327
  186    HB   ILE  25           HB       ILE  25   0.697  -1.081  -1.081
  187   1HG1  ILE  25          2HG1      ILE  25   3.290   0.459   0.459
  188   2HG1  ILE  25          3HG1      ILE  25   3.165  -1.180  -1.180
  189   1HG2  ILE  25          3HG2      ILE  25   0.806   1.281   1.281
  190   2HG2  ILE  25          1HG2      ILE  25   0.906   1.609   1.609
  191   3HG2  ILE  25          2HG2      ILE  25  -0.483   0.711   0.711
  192   1HD1  ILE  25          1HD1      ILE  25   1.490  -0.230  -0.230
  193   2HD1  ILE  25          2HD1      ILE  25   2.097   1.371   1.371
  194   3HD1  ILE  25          3HD1      ILE  25   3.212   0.171   0.171
  195    H    CYS  26           H        CYS  26  -0.436  -0.214  -0.214
  196    HA   CYS  26           HA       CYS  26  -1.946  -2.639  -2.639
  197   1HB   CYS  26          2HB       CYS  26  -0.443  -3.057  -3.057
  198   2HB   CYS  26          1HB       CYS  26  -1.189  -1.693  -1.693
  199    H    LYS  27           H        LYS  27  -3.652  -1.494  -1.494
  200    HA   LYS  27           HA       LYS  27  -4.405   1.041   1.041
  201   1HB   LYS  27          2HB       LYS  27  -6.442  -1.193  -1.193
  202   2HB   LYS  27          1HB       LYS  27  -6.574   0.413   0.413
  203   1HG   LYS  27          2HG       LYS  27  -4.337  -0.374  -0.374
  204   2HG   LYS  27          1HG       LYS  27  -5.017  -1.961  -1.961
  205   1HD   LYS  27          2HD       LYS  27  -6.706  -1.664  -1.664
  206   2HD   LYS  27          1HD       LYS  27  -7.038  -0.033  -0.033
  207   1HE   LYS  27          2HE       LYS  27  -5.011   0.777   0.777
  208   2HE   LYS  27          1HE       LYS  27  -4.750  -0.853  -0.853
  209   1HZ   LYS  27          1HZ       LYS  27  -6.215  -0.397  -0.397
  210   2HZ   LYS  27          2HZ       LYS  27  -7.414  -0.220  -0.220
  211    H    CYS  28           H        CYS  28  -5.581   2.348   2.348
  212    HA   CYS  28           HA       CYS  28  -5.804   1.206   1.206
  213   1HB   CYS  28          2HB       CYS  28  -5.534   4.024   4.024
  214   2HB   CYS  28          1HB       CYS  28  -6.091   3.697   3.697
  215    H    TYR  29           H        TYR  29  -7.833   0.627   0.627
  216    HA   TYR  29           HA       TYR  29 -10.112   1.828   1.828
  217   1HB   TYR  29          2HB       TYR  29 -11.147  -0.314  -0.314
  218   2HB   TYR  29          1HB       TYR  29  -9.476  -0.756  -0.756
  219    HD1  TYR  29           HD1      TYR  29  -7.966  -1.202  -1.202
  220    HD2  TYR  29           HD2      TYR  29 -12.215  -0.829  -0.829
  221    HE1  TYR  29           HE1      TYR  29  -7.899  -2.382  -2.382
  222    HE2  TYR  29           HE2      TYR  29 -12.134  -2.011  -2.011
  223    HH   TYR  29           HH       TYR  29  -9.123  -2.650  -2.650
  224    H    VAL  30           H        VAL  30 -11.725   2.875   2.875
  225    HA   VAL  30           HA       VAL  30 -12.737   3.887   3.887
  226    HB   VAL  30           HB       VAL  30 -11.701   1.418   1.418
  227   1HG1  VAL  30          3HG1      VAL  30 -12.632   3.888   3.888
  228   2HG1  VAL  30          1HG1      VAL  30 -13.333   2.353   2.353
  229   3HG1  VAL  30          2HG1      VAL  30 -11.568   2.583   2.583
  230   1HG2  VAL  30          1HG2      VAL  30 -13.764   1.582   1.582
  231   2HG2  VAL  30          2HG2      VAL  30 -13.944   0.736   0.736
  232   3HG2  VAL  30          3HG2      VAL  30 -14.551   2.399   2.399
  233    H    LYS  31           H        LYS  31  -9.903   2.673   2.673
  234    HA   LYS  31           HA       LYS  31  -9.399   5.275   5.275
  235   1HB   LYS  31          2HB       LYS  31  -8.835   2.719   2.719
  236   2HB   LYS  31          1HB       LYS  31  -7.266   3.246   3.246
  237   1HG   LYS  31          2HG       LYS  31  -7.046   4.868   4.868
  238   2HG   LYS  31          1HG       LYS  31  -8.758   5.241   5.241
  239   1HD   LYS  31          2HD       LYS  31  -7.839   2.545   2.545
  240   2HD   LYS  31          1HD       LYS  31  -7.627   3.955   3.955
  241   1HE   LYS  31          2HE       LYS  31  -9.914   4.261   4.261
  242   2HE   LYS  31          1HE       LYS  31 -10.325   3.642   3.642
  243   1HZ   LYS  31          1HZ       LYS  31  -9.734   2.106   2.106
  244   2HZ   LYS  31          2HZ       LYS  31 -10.982   1.930   1.930
  245    H    LYS  32           H        LYS  32  -9.430   6.129   6.129
  246    HA   LYS  32           HA       LYS  32  -7.437   5.664   5.664
  247   1HB   LYS  32          2HB       LYS  32  -8.668   8.356   8.356
  248   2HB   LYS  32          1HB       LYS  32  -7.877   7.917   7.917
  249   1HG   LYS  32          2HG       LYS  32  -9.699   6.767   6.767
  250   2HG   LYS  32          1HG       LYS  32  -9.997   6.003   6.003
  251   1HD   LYS  32          2HD       LYS  32 -10.713   8.898   8.898
  252   2HD   LYS  32          1HD       LYS  32 -11.846   7.561   7.561
  253   1HE   LYS  32          2HE       LYS  32 -11.929   7.378   7.378
  254   2HE   LYS  32          1HE       LYS  32 -10.271   7.901   7.901
  255   1HZ   LYS  32          1HZ       LYS  32 -12.658   9.505   9.505
  256   2HZ   LYS  32          2HZ       LYS  32 -11.209   9.863   9.863
  257    H    CYS  33           H        CYS  33  -5.511   7.111   7.111
  258    HA   CYS  33           HA       CYS  33  -3.773   7.065   7.065
  259   1HB   CYS  33          2HB       CYS  33  -2.923   6.564   6.564
  260   2HB   CYS  33          1HB       CYS  33  -3.466   8.102   8.102
  261    HA   PRO  34           HA       PRO  34  -4.607  11.127  11.127
  262   1HB   PRO  34          2HB       PRO  34  -2.545  11.431  11.431
  263   2HB   PRO  34          1HB       PRO  34  -4.029  10.588  10.588
  264   1HG   PRO  34          2HG       PRO  34  -1.360   9.463   9.463
  265   2HG   PRO  34          1HG       PRO  34  -2.721   8.699   8.699
  266   1HD   PRO  34          2HD       PRO  34  -1.855   8.275   8.275
  267   2HD   PRO  34          1HD       PRO  34  -3.283   7.601   7.601
  268    H    ARG  35           H        ARG  35  -1.473  10.300  10.300
  269    HA   ARG  35           HA       ARG  35  -1.419  12.360  12.360
  270   1HB   ARG  35          2HB       ARG  35   0.455  13.782  13.782
  271   2HB   ARG  35          1HB       ARG  35  -1.225  14.091  14.091
  272   1HG   ARG  35          2HG       ARG  35  -1.065  12.659  12.659
  273   2HG   ARG  35          1HG       ARG  35   0.579  12.215  12.215
  274   1HD   ARG  35          2HD       ARG  35   1.281  14.003  14.003
  275   2HD   ARG  35          1HD       ARG  35   0.616  15.038  15.038
  276    HE   ARG  35           HE       ARG  35  -0.633  14.389  14.389
  277   1HH1  ARG  35          2HH2      ARG  35  -1.054  15.843  15.843
  278   2HH1  ARG  35          1HH2      ARG  35  -2.434  16.779  16.779
  279    HH2  ARG  35          1HH       ARG  35  -3.239  16.635  16.635
  280    H    ASP  36           H        ASP  36   0.452  12.172  12.172
  281    HA   ASP  36           HA       ASP  36   1.717   9.863   9.863
  282   1HB   ASP  36          2HB       ASP  36   3.098  12.533  12.533
  283   2HB   ASP  36          1HB       ASP  36   3.478  11.003  11.003
  284    HD1  ASP  36          2HD       ASP  36   0.891  13.628  13.628
  285    H    GLY  37           H        GLY  37   3.461   8.808   8.808
  286   1HA   GLY  37          1HA       GLY  37   5.476   8.758   8.758
  287   2HA   GLY  37          2HA       GLY  37   5.182  10.377  10.377
  288    H    ALA  38           H        ALA  38   2.202   9.383   9.383
  289    HA   ALA  38           HA       ALA  38   2.386   9.016   9.016
  290   1HB   ALA  38          1HB       ALA  38   0.277   8.274   8.274
  291   2HB   ALA  38          2HB       ALA  38   0.022   8.070   8.070
  292   3HB   ALA  38          3HB       ALA  38   0.319   9.691   9.691
  293    H    LYS  39           H        LYS  39   3.211   7.392   7.392
  294    HA   LYS  39           HA       LYS  39   4.067   4.991   4.991
  295   1HB   LYS  39          2HB       LYS  39   5.109   6.054   6.054
  296   2HB   LYS  39          1HB       LYS  39   3.680   5.702   5.702
  297   1HG   LYS  39          2HG       LYS  39   4.093   3.206   3.206
  298   2HG   LYS  39          1HG       LYS  39   5.724   3.778   3.778
  299   1HD   LYS  39          2HD       LYS  39   6.220   3.863   3.863
  300   2HD   LYS  39          1HD       LYS  39   4.690   4.614   4.614
  301   1HE   LYS  39          2HE       LYS  39   3.565   2.538   2.538
  302   2HE   LYS  39          1HE       LYS  39   4.727   1.692   1.692
  303   1HZ   LYS  39          1HZ       LYS  39   5.870   1.180   1.180
  304   2HZ   LYS  39          2HZ       LYS  39   6.073   2.747   2.747
  305    H    CYS  40           H        CYS  40   3.273   2.832   2.832
  306    HA   CYS  40           HA       CYS  40   0.714   2.456   2.456
  307   1HB   CYS  40          2HB       CYS  40  -0.274   3.222   3.222
  308   2HB   CYS  40          1HB       CYS  40   0.997   2.604   2.604
  309    H    GLU  41           H        GLU  41   0.131   0.054   0.054
  310    HA   GLU  41           HA       GLU  41   2.479  -1.544  -1.544
  311   1HB   GLU  41          2HB       GLU  41   1.446  -2.886  -2.886
  312   2HB   GLU  41          1HB       GLU  41   2.797  -1.774  -1.774
  313   1HG   GLU  41          2HG       GLU  41  -0.047  -0.734  -0.734
  314   2HG   GLU  41          1HG       GLU  41   0.748  -1.423  -1.423
  315    HE1  GLU  41          2HE       GLU  41   3.122  -0.586  -0.586
  316    H    PHE  42           H        PHE  42   2.022  -3.393  -3.393
  317    HA   PHE  42           HA       PHE  42  -0.755  -3.811  -3.811
  318   1HB   PHE  42          2HB       PHE  42   0.945  -3.814  -3.814
  319   2HB   PHE  42          1HB       PHE  42   1.979  -4.897  -4.897
  320    HD1  PHE  42          2HD       PHE  42  -1.651  -5.105  -5.105
  321    HD2  PHE  42          1HD       PHE  42   2.201  -6.845  -6.845
  322    HE1  PHE  42          2HE       PHE  42  -2.654  -7.069  -7.069
  323    HE2  PHE  42          1HE       PHE  42   1.199  -8.810  -8.810
  324    HZ   PHE  42           HZ       PHE  42  -1.217  -8.898  -8.898
  325    H    ASP  43           H        ASP  43  -1.942  -5.724  -5.724
  326    HA   ASP  43           HA       ASP  43  -0.784  -7.363  -7.363
  327   1HB   ASP  43          2HB       ASP  43  -3.080  -6.151  -6.151
  328   2HB   ASP  43          1HB       ASP  43  -3.682  -7.341  -7.341
  329    HD1  ASP  43          2HD       ASP  43  -3.458  -7.062  -7.062
  330    H    SER  44           H        SER  44  -0.386  -9.574  -9.574
  331    HA   SER  44           HA       SER  44  -1.083 -10.468 -10.468
  332   1HB   SER  44          2HB       SER  44   0.630 -12.382 -12.382
  333   2HB   SER  44          1HB       SER  44   1.149 -10.941 -10.941
  334    HG   SER  44           HG       SER  44   1.386 -11.609 -11.609
  335    H    TYR  45           H        TYR  45  -2.814 -10.381 -10.381
  336    HA   TYR  45           HA       TYR  45  -3.328 -13.265 -13.265
  337   1HB   TYR  45          2HB       TYR  45  -4.592 -11.137 -11.137
  338   2HB   TYR  45          1HB       TYR  45  -3.995 -12.714 -12.714
  339    HD1  TYR  45           HD1      TYR  45  -1.183 -12.432 -12.432
  340    HD2  TYR  45           HD2      TYR  45  -3.552  -9.815  -9.815
  341    HE1  TYR  45           HE1      TYR  45   0.929 -11.351 -11.351
  342    HE2  TYR  45           HE2      TYR  45  -1.432  -8.743  -8.743
  343    HH   TYR  45           HH       TYR  45   0.825  -9.174  -9.174
  344    H    LYS  46           H        LYS  46  -4.426 -10.364 -10.364
  345    HA   LYS  46           HA       LYS  46  -6.959 -11.670 -11.670
  346   1HB   LYS  46          2HB       LYS  46  -7.888  -9.167  -9.167
  347   2HB   LYS  46          1HB       LYS  46  -7.958 -10.358 -10.358
  348   1HG   LYS  46          2HG       LYS  46  -5.872  -9.490  -9.490
  349   2HG   LYS  46          1HG       LYS  46  -5.654  -8.384  -8.384
  350   1HD   LYS  46          2HD       LYS  46  -6.699  -6.904  -6.904
  351   2HD   LYS  46          1HD       LYS  46  -8.151  -7.622  -7.622
  352   1HE   LYS  46          2HE       LYS  46  -6.810  -8.813  -8.813
  353   2HE   LYS  46          1HE       LYS  46  -7.932  -7.475  -7.475
  354   1HZ   LYS  46          1HZ       LYS  46  -8.487 -10.219 -10.219
  355   2HZ   LYS  46          2HZ       LYS  46  -9.341  -9.287  -9.287
  356    H    GLY  47           H        GLY  47  -4.699  -8.906  -8.906
  357   1HA   GLY  47          1HA       GLY  47  -3.710  -8.734  -8.734
  358   2HA   GLY  47          2HA       GLY  47  -5.224  -9.263  -9.263
  359    H    LYS  48           H        LYS  48  -5.680  -7.181  -7.181
  360    HA   LYS  48           HA       LYS  48  -6.644  -5.109  -5.109
  361   1HB   LYS  48          2HB       LYS  48  -6.937  -5.845  -5.845
  362   2HB   LYS  48          1HB       LYS  48  -7.077  -4.143  -4.143
  363   1HG   LYS  48          2HG       LYS  48  -9.152  -4.457  -4.457
  364   2HG   LYS  48          1HG       LYS  48  -8.547  -5.650  -5.650
  365   1HD   LYS  48          2HD       LYS  48 -10.109  -6.883  -6.883
  366   2HD   LYS  48          1HD       LYS  48  -8.580  -7.312  -7.312
  367   1HE   LYS  48          2HE       LYS  48  -8.933  -5.770  -5.770
  368   2HE   LYS  48          1HE       LYS  48 -10.291  -5.010  -5.010
  369   1HZ   LYS  48          1HZ       LYS  48 -10.194  -7.694  -7.694
  370   2HZ   LYS  48          2HZ       LYS  48 -11.281  -6.509  -6.509
  371    H    CYS  49           H        CYS  49  -6.150  -2.727  -2.727
  372    HA   CYS  49           HA       CYS  49  -3.246  -2.616  -2.616
  373   1HB   CYS  49          2HB       CYS  49  -3.334  -1.862  -1.862
  374   2HB   CYS  49          1HB       CYS  49  -4.975  -1.265  -1.265
  375    H    TYR  50           H        TYR  50  -3.232  -2.185  -2.185
  376    HA   TYR  50           HA       TYR  50  -5.181  -0.516  -0.516
  377   1HB   TYR  50          2HB       TYR  50  -2.537  -1.890  -1.890
  378   2HB   TYR  50          1HB       TYR  50  -3.105  -0.683  -0.683
  379    HD1  TYR  50           HD2      TYR  50  -5.661  -2.578  -2.578
  380    HD2  TYR  50           HD1      TYR  50  -3.163  -2.512  -2.512
  381    HE1  TYR  50           HE2      TYR  50  -7.146  -4.318  -4.318
  382    HE2  TYR  50           HE1      TYR  50  -4.657  -4.252  -4.252
  383    HH   TYR  50           HH       TYR  50  -6.561  -6.183  -6.183
  384    H    CYS  51           H        CYS  51  -4.574   1.155   1.155
  385    HA   CYS  51           HA       CYS  51  -2.270   2.722   2.722
  386   1HB   CYS  51          2HB       CYS  51  -4.735   3.492   3.492
  387   2HB   CYS  51          1HB       CYS  51  -3.139   4.209   4.209

  Start of MODEL   17
    1    H    ALA   1           H        ALA   1   4.373 -11.713 -11.713
    2    HA   ALA   1           HA       ALA   1   4.889 -11.247 -11.247
    3   1HB   ALA   1          1HB       ALA   1   3.367 -13.220 -13.220
    4   2HB   ALA   1          2HB       ALA   1   1.997 -12.185 -12.185
    5   3HB   ALA   1          3HB       ALA   1   3.263 -12.580 -12.580
    6    H    THR   2           H        THR   2   4.019  -8.728  -8.728
    7    HA   THR   2           HA       THR   2   2.273  -7.610  -7.610
    8    HB   THR   2           HB       THR   2   3.176  -6.030  -6.030
    9    HG1  THR   2          1HG       THR   2   1.275  -8.265  -8.265
   10   1HG2  THR   2          3HG2      THR   2   1.162  -5.708  -5.708
   11   2HG2  THR   2          1HG2      THR   2   0.301  -6.627  -6.627
   12   3HG2  THR   2          2HG2      THR   2   1.072  -5.074  -5.074
   13    H    TYR   3           H        TYR   3   2.883  -5.947  -5.947
   14    HA   TYR   3           HA       TYR   3   5.776  -5.408  -5.408
   15   1HB   TYR   3          2HB       TYR   3   3.768  -5.105  -5.105
   16   2HB   TYR   3          1HB       TYR   3   5.505  -5.293  -5.293
   17    HD1  TYR   3           HD2      TYR   3   2.329  -7.064  -7.064
   18    HD2  TYR   3           HD1      TYR   3   6.539  -7.478  -7.478
   19    HE1  TYR   3           HE2      TYR   3   2.040  -9.568  -9.568
   20    HE2  TYR   3           HE1      TYR   3   6.236  -9.980  -9.980
   21    HH   TYR   3           HH       TYR   3   3.300 -11.376 -11.376
   22    H    ASN   4           H        ASN   4   6.372  -3.361  -3.361
   23    HA   ASN   4           HA       ASN   4   4.307  -1.382  -1.382
   24   1HB   ASN   4          2HB       ASN   4   7.222  -0.745  -0.745
   25   2HB   ASN   4          1HB       ASN   4   5.810  -0.153  -0.153
   26   1HD2  ASN   4          2HD2      ASN   4   5.475  -2.885  -2.885
   27   2HD2  ASN   4          1HD2      ASN   4   4.653  -1.599  -1.599
   28    H    GLY   5           H        GLY   5   4.788   0.875   0.875
   29   1HA   GLY   5          1HA       GLY   5   6.760   1.239   1.239
   30   2HA   GLY   5          2HA       GLY   5   5.270   0.722   0.722
   31    H    LYS   6           H        LYS   6   4.700   2.679   2.679
   32    HA   LYS   6           HA       LYS   6   3.743   4.710   4.710
   33   1HB   LYS   6          2HB       LYS   6   5.452   5.509   5.509
   34   2HB   LYS   6          1HB       LYS   6   4.862   6.519   6.519
   35   1HG   LYS   6          2HG       LYS   6   6.265   5.264   5.264
   36   2HG   LYS   6          1HG       LYS   6   6.826   4.204   4.204
   37   1HD   LYS   6          2HD       LYS   6   7.548   6.478   6.478
   38   2HD   LYS   6          1HD       LYS   6   7.453   7.133   7.133
   39   1HE   LYS   6          2HE       LYS   6   9.602   6.384   6.384
   40   2HE   LYS   6          1HE       LYS   6   8.874   4.810   4.810
   41   1HZ   LYS   6          1HZ       LYS   6   9.796   5.880   5.880
   42   2HZ   LYS   6          2HZ       LYS   6  10.523   4.700   4.700
   43    H    CYS   7           H        CYS   7   2.148   6.166   6.166
   44    HA   CYS   7           HA       CYS   7   1.079   5.015   5.015
   45   1HB   CYS   7          2HB       CYS   7  -1.215   5.677   5.677
   46   2HB   CYS   7          1HB       CYS   7  -0.478   4.117   4.117
   47    H    TYR   8           H        TYR   8  -0.637   6.690   6.690
   48    HA   TYR   8           HA       TYR   8   0.121   9.429   9.429
   49   1HB   TYR   8          2HB       TYR   8  -0.002   8.207   8.207
   50   2HB   TYR   8          1HB       TYR   8   0.517   9.835   9.835
   51    HD1  TYR   8           HD2      TYR   8   1.419   6.279   6.279
   52    HD2  TYR   8           HD1      TYR   8   2.798  10.271  10.271
   53    HE1  TYR   8           HE2      TYR   8   3.828   5.481   5.481
   54    HE2  TYR   8           HE1      TYR   8   5.202   9.459   9.459
   55    HH   TYR   8           HH       TYR   8   5.930   6.152   6.152
   56    H    LYS   9           H        LYS   9  -1.459  11.019  11.019
   57    HA   LYS   9           HA       LYS   9  -4.106   9.941   9.941
   58   1HB   LYS   9          2HB       LYS   9  -2.823  12.586  12.586
   59   2HB   LYS   9          1HB       LYS   9  -4.428  12.623  12.623
   60   1HG   LYS   9          2HG       LYS   9  -5.354  11.341  11.341
   61   2HG   LYS   9          1HG       LYS   9  -3.757  11.022  11.022
   62   1HD   LYS   9          2HD       LYS   9  -3.469  13.231  13.231
   63   2HD   LYS   9          1HD       LYS   9  -4.606  13.897  13.897
   64   1HE   LYS   9          2HE       LYS   9  -6.477  12.701  12.701
   65   2HE   LYS   9          1HE       LYS   9  -5.306  12.199  12.199
   66   1HZ   LYS   9          1HZ       LYS   9  -6.163  14.962  14.962
   67   2HZ   LYS   9          2HZ       LYS   9  -6.224  14.195  14.195
   68    H    LYS  10           H        LYS  10  -2.386  12.290  12.290
   69    HA   LYS  10           HA       LYS  10  -4.128  12.389  12.389
   70   1HB   LYS  10          2HB       LYS  10  -1.657  13.323  13.323
   71   2HB   LYS  10          1HB       LYS  10  -1.254  12.024  12.024
   72   1HG   LYS  10          2HG       LYS  10  -1.689  13.923  13.923
   73   2HG   LYS  10          1HG       LYS  10  -3.106  12.903  12.903
   74   1HD   LYS  10          2HD       LYS  10  -4.246  14.837  14.837
   75   2HD   LYS  10          1HD       LYS  10  -3.882  14.419  14.419
   76   1HE   LYS  10          2HE       LYS  10  -1.925  16.064  16.064
   77   2HE   LYS  10          1HE       LYS  10  -3.284  16.830  16.830
   78   1HZ   LYS  10          1HZ       LYS  10  -2.060  16.794  16.794
   79   2HZ   LYS  10          2HZ       LYS  10  -2.103  15.167  15.167
   80    H    ASP  11           H        ASP  11  -1.624   9.798   9.798
   81    HA   ASP  11           HA       ASP  11  -2.702   8.363   8.363
   82   1HB   ASP  11          2HB       ASP  11  -0.702   7.567   7.567
   83   2HB   ASP  11          1HB       ASP  11  -1.062   6.589   6.589
   84    HD2  ASP  11          2HD       ASP  11   1.619   7.680   7.680
   85    H    ASN  12           H        ASN  12  -3.138   8.582   8.582
   86    HA   ASN  12           HA       ASN  12  -4.304   7.475   7.475
   87   1HB   ASN  12          2HB       ASN  12  -6.020   8.089   8.089
   88   2HB   ASN  12          1HB       ASN  12  -6.204   6.347   6.347
   89   1HD2  ASN  12          2HD2      ASN  12  -8.087   6.114   6.114
   90   2HD2  ASN  12          1HD2      ASN  12  -7.289   5.333   5.333
   91    H    ILE  13           H        ILE  13  -2.109   5.971   5.971
   92    HA   ILE  13           HA       ILE  13  -3.207   3.255   3.255
   93    HB   ILE  13           HB       ILE  13  -1.094   2.680   2.680
   94   1HG1  ILE  13          2HG1      ILE  13  -0.595   4.707   4.707
   95   2HG1  ILE  13          3HG1      ILE  13  -1.128   5.673   5.673
   96   1HG2  ILE  13          3HG2      ILE  13  -3.709   3.654   3.654
   97   2HG2  ILE  13          1HG2      ILE  13  -2.474   3.868   3.868
   98   3HG2  ILE  13          2HG2      ILE  13  -2.769   2.255   2.255
   99   1HD1  ILE  13          2HD1      ILE  13   0.513   4.332   4.332
  100   2HD1  ILE  13          3HD1      ILE  13   1.165   3.671   3.671
  101   3HD1  ILE  13          1HD1      ILE  13   1.248   5.421   5.421
  102    H    CYS  14           H        CYS  14  -1.035   1.745   1.745
  103    HA   CYS  14           HA       CYS  14   0.347   3.031   3.031
  104   1HB   CYS  14          2HB       CYS  14  -1.562   1.874   1.874
  105   2HB   CYS  14          1HB       CYS  14  -1.109   0.385   0.385
  106    H    LYS  15           H        LYS  15   2.459   2.923   2.923
  107    HA   LYS  15           HA       LYS  15   3.252   0.569   0.569
  108   1HB   LYS  15          2HB       LYS  15   4.844   3.101   3.101
  109   2HB   LYS  15          1HB       LYS  15   5.102   1.868   1.868
  110   1HG   LYS  15          2HG       LYS  15   3.141   2.490   2.490
  111   2HG   LYS  15          1HG       LYS  15   2.468   3.378   3.378
  112   1HD   LYS  15          2HD       LYS  15   3.326   5.230   5.230
  113   2HD   LYS  15          1HD       LYS  15   4.865   4.709   4.709
  114   1HE   LYS  15          2HE       LYS  15   5.205   3.325   3.325
  115   2HE   LYS  15          1HE       LYS  15   3.765   4.084   4.084
  116   1HZ   LYS  15          1HZ       LYS  15   5.715   5.940   5.940
  117   2HZ   LYS  15          2HZ       LYS  15   6.224   5.128   5.128
  118    H    TYR  16           H        TYR  16   4.832  -0.873  -0.873
  119    HA   TYR  16           HA       TYR  16   6.436  -0.340  -0.340
  120   1HB   TYR  16          2HB       TYR  16   5.294  -2.142  -2.142
  121   2HB   TYR  16          1HB       TYR  16   4.240  -0.771  -0.771
  122    HD1  TYR  16           HD1      TYR  16   2.734  -0.994  -0.994
  123    HD2  TYR  16           HD2      TYR  16   4.427  -4.271  -4.271
  124    HE1  TYR  16           HE1      TYR  16   0.978  -2.554  -2.554
  125    HE2  TYR  16           HE2      TYR  16   2.665  -5.820  -5.820
  126    HH   TYR  16           HH       TYR  16   0.486  -4.712  -4.712
  127    H    LYS  17           H        LYS  17   7.550  -2.513  -2.513
  128    HA   LYS  17           HA       LYS  17   8.168  -3.927  -3.927
  129   1HB   LYS  17          2HB       LYS  17   9.705  -3.057  -3.057
  130   2HB   LYS  17          1HB       LYS  17  10.069  -4.687  -4.687
  131   1HG   LYS  17          2HG       LYS  17  10.167  -3.626  -3.626
  132   2HG   LYS  17          1HG       LYS  17  10.309  -2.099  -2.099
  133   1HD   LYS  17          2HD       LYS  17  12.430  -2.574  -2.574
  134   2HD   LYS  17          1HD       LYS  17  12.104  -4.287  -4.287
  135   1HE   LYS  17          2HE       LYS  17  12.705  -4.769  -4.769
  136   2HE   LYS  17          1HE       LYS  17  12.138  -3.228  -3.228
  137   1HZ   LYS  17          1HZ       LYS  17  14.354  -2.778  -2.778
  138   2HZ   LYS  17          2HZ       LYS  17  14.181  -2.444  -2.444
  139    H    ALA  18           H        ALA  18   7.355  -5.921  -5.921
  140    HA   ALA  18           HA       ALA  18   5.891  -7.194  -7.194
  141   1HB   ALA  18          1HB       ALA  18   5.625  -7.117  -7.117
  142   2HB   ALA  18          2HB       ALA  18   6.592  -8.605  -8.605
  143   3HB   ALA  18          3HB       ALA  18   5.031  -8.484  -8.484
  144    H    GLN  19           H        GLN  19   6.289  -9.660  -9.660
  145    HA   GLN  19           HA       GLN  19   8.541  -9.980  -9.980
  146   1HB   GLN  19          2HB       GLN  19   6.371 -11.582 -11.582
  147   2HB   GLN  19          1HB       GLN  19   7.749 -12.489 -12.489
  148   1HG   GLN  19          2HG       GLN  19   8.821 -12.170 -12.170
  149   2HG   GLN  19          1HG       GLN  19   7.291 -11.508 -11.508
  150   1HE2  GLN  19          2HE2      GLN  19   7.828 -15.529 -15.529
  151   2HE2  GLN  19          1HE2      GLN  19   8.988 -14.331 -14.331
  152    H    SER  20           H        SER  20   8.044 -10.932 -10.932
  153    HA   SER  20           HA       SER  20  10.952 -11.078 -11.078
  154   1HB   SER  20          2HB       SER  20   8.932 -13.000 -13.000
  155   2HB   SER  20          1HB       SER  20   9.695 -12.442 -12.442
  156    HG   SER  20           HG       SER  20  10.750 -14.311 -14.311
  157    H    GLY  21           H        GLY  21   8.872  -8.809  -8.809
  158   1HA   GLY  21          1HA       GLY  21   8.740  -6.979  -6.979
  159   2HA   GLY  21          2HA       GLY  21  10.074  -7.592  -7.592
  160    H    LYS  22           H        LYS  22   7.670 -10.006 -10.006
  161    HA   LYS  22           HA       LYS  22   7.088  -9.912  -9.912
  162   1HB   LYS  22          2HB       LYS  22   6.178 -11.459 -11.459
  163   2HB   LYS  22          1HB       LYS  22   5.086 -11.437 -11.437
  164   1HG   LYS  22          2HG       LYS  22   7.878 -11.833 -11.833
  165   2HG   LYS  22          1HG       LYS  22   7.373 -13.060 -13.060
  166   1HD   LYS  22          2HD       LYS  22   6.740 -13.958 -13.958
  167   2HD   LYS  22          1HD       LYS  22   5.241 -13.328 -13.328
  168   1HE   LYS  22          2HE       LYS  22   6.951 -11.509 -11.509
  169   2HE   LYS  22          1HE       LYS  22   5.998 -12.751 -12.751
  170   1HZ   LYS  22          1HZ       LYS  22   5.088 -10.347 -10.347
  171   2HZ   LYS  22          2HZ       LYS  22   4.350 -11.227 -11.227
  172    H    THR  23           H        THR  23   5.946  -7.991  -7.991
  173    HA   THR  23           HA       THR  23   3.592  -7.203  -7.203
  174    HB   THR  23           HB       THR  23   3.850  -8.034  -8.034
  175    HG1  THR  23          1HG       THR  23   1.959  -8.057  -8.057
  176   1HG2  THR  23          1HG2      THR  23   4.592  -5.450  -5.450
  177   2HG2  THR  23          2HG2      THR  23   2.842  -5.184  -5.184
  178   3HG2  THR  23          3HG2      THR  23   3.447  -6.166  -6.166
  179    H    ALA  24           H        ALA  24   3.010  -4.747  -4.747
  180    HA   ALA  24           HA       ALA  24   4.861  -2.908  -2.908
  181   1HB   ALA  24          1HB       ALA  24   5.391  -4.070  -4.070
  182   2HB   ALA  24          2HB       ALA  24   5.254  -2.296  -2.296
  183   3HB   ALA  24          3HB       ALA  24   6.443  -3.089  -3.089
  184    H    ILE  25           H        ILE  25   3.559  -1.201  -1.201
  185    HA   ILE  25           HA       ILE  25   1.874   0.219   0.219
  186    HB   ILE  25           HB       ILE  25   1.639  -0.288  -0.288
  187   1HG1  ILE  25          2HG1      ILE  25   3.532   1.752   1.752
  188   2HG1  ILE  25          3HG1      ILE  25   4.043   0.474   0.474
  189   1HG2  ILE  25          1HG2      ILE  25   0.729   1.728   1.728
  190   2HG2  ILE  25          2HG2      ILE  25   1.659   2.440   2.440
  191   3HG2  ILE  25          3HG2      ILE  25   0.237   1.426   1.426
  192   1HD1  ILE  25          2HD1      ILE  25   3.415  -1.028  -1.028
  193   2HD1  ILE  25          3HD1      ILE  25   3.904   0.491   0.491
  194   3HD1  ILE  25          1HD1      ILE  25   5.036  -0.355  -0.355
  195    H    CYS  26           H        CYS  26  -0.284   0.116   0.116
  196    HA   CYS  26           HA       CYS  26  -1.920  -1.881  -1.881
  197   1HB   CYS  26          2HB       CYS  26  -1.117  -3.355  -3.355
  198   2HB   CYS  26          1HB       CYS  26  -1.017  -2.126  -2.126
  199    H    LYS  27           H        LYS  27  -3.548  -0.471  -0.471
  200    HA   LYS  27           HA       LYS  27  -4.150   1.943   1.943
  201   1HB   LYS  27          2HB       LYS  27  -6.345  -0.052  -0.052
  202   2HB   LYS  27          1HB       LYS  27  -6.337   1.673   1.673
  203   1HG   LYS  27          2HG       LYS  27  -4.167   1.069   1.069
  204   2HG   LYS  27          1HG       LYS  27  -4.888  -0.528  -0.528
  205   1HD   LYS  27          2HD       LYS  27  -6.216   0.172   0.172
  206   2HD   LYS  27          1HD       LYS  27  -7.052   1.195   1.195
  207   1HE   LYS  27          2HE       LYS  27  -5.703   3.104   3.104
  208   2HE   LYS  27          1HE       LYS  27  -4.472   2.129   2.129
  209   1HZ   LYS  27          1HZ       LYS  27  -6.441   3.371   3.371
  210   2HZ   LYS  27          2HZ       LYS  27  -5.666   2.062   2.062
  211    H    CYS  28           H        CYS  28  -5.195   2.977   2.977
  212    HA   CYS  28           HA       CYS  28  -5.396   1.375   1.375
  213   1HB   CYS  28          2HB       CYS  28  -5.293   4.293   4.293
  214   2HB   CYS  28          1HB       CYS  28  -6.054   3.798   3.798
  215    H    TYR  29           H        TYR  29  -7.310   0.314   0.314
  216    HA   TYR  29           HA       TYR  29  -9.668   0.814   0.814
  217   1HB   TYR  29          2HB       TYR  29 -10.470  -0.900  -0.900
  218   2HB   TYR  29          1HB       TYR  29  -8.743  -1.196  -1.196
  219    HD1  TYR  29           HD1      TYR  29  -7.431   0.399   0.399
  220    HD2  TYR  29           HD2      TYR  29 -11.445  -1.052  -1.052
  221    HE1  TYR  29           HE1      TYR  29  -7.340   0.631   0.631
  222    HE2  TYR  29           HE2      TYR  29 -11.341  -0.815  -0.815
  223    HH   TYR  29           HH       TYR  29  -9.562  -0.815  -0.815
  224    H    VAL  30           H        VAL  30 -11.446   0.672   0.672
  225    HA   VAL  30           HA       VAL  30 -12.485   3.112   3.112
  226    HB   VAL  30           HB       VAL  30 -12.135   1.093   1.093
  227   1HG1  VAL  30          2HG1      VAL  30 -13.039   3.843   3.843
  228   2HG1  VAL  30          3HG1      VAL  30 -14.333   2.694   2.694
  229   3HG1  VAL  30          1HG1      VAL  30 -12.765   2.611   2.611
  230   1HG2  VAL  30          3HG2      VAL  30 -14.426   1.848   1.848
  231   2HG2  VAL  30          1HG2      VAL  30 -13.504   0.326   0.326
  232   3HG2  VAL  30          2HG2      VAL  30 -14.581   0.735   0.735
  233    H    LYS  31           H        LYS  31 -10.018   2.063   2.063
  234    HA   LYS  31           HA       LYS  31  -9.629   4.572   4.572
  235   1HB   LYS  31          2HB       LYS  31  -8.813   2.145   2.145
  236   2HB   LYS  31          1HB       LYS  31  -7.359   2.621   2.621
  237   1HG   LYS  31          2HG       LYS  31  -6.703   3.764   3.764
  238   2HG   LYS  31          1HG       LYS  31  -8.036   4.873   4.873
  239   1HD   LYS  31          2HD       LYS  31  -9.523   3.525   3.525
  240   2HD   LYS  31          1HD       LYS  31  -8.346   2.230   2.230
  241   1HE   LYS  31          2HE       LYS  31  -7.322   3.213   3.213
  242   2HE   LYS  31          1HE       LYS  31  -7.090   4.699   4.699
  243   1HZ   LYS  31          1HZ       LYS  31  -9.039   4.141   4.141
  244   2HZ   LYS  31          2HZ       LYS  31  -8.643   5.580   5.580
  245    H    LYS  32           H        LYS  32  -9.576   6.206   6.206
  246    HA   LYS  32           HA       LYS  32  -7.878   6.085   6.085
  247   1HB   LYS  32          2HB       LYS  32  -9.966   7.530   7.530
  248   2HB   LYS  32          1HB       LYS  32  -8.906   8.615   8.615
  249   1HG   LYS  32          2HG       LYS  32  -7.389   8.634   8.634
  250   2HG   LYS  32          1HG       LYS  32  -8.667   7.783   7.783
  251   1HD   LYS  32          2HD       LYS  32  -9.092  10.447  10.447
  252   2HD   LYS  32          1HD       LYS  32  -8.689  10.323  10.323
  253   1HE   LYS  32          2HE       LYS  32 -10.745   9.129   9.129
  254   2HE   LYS  32          1HE       LYS  32 -11.091   8.879   8.879
  255   1HZ   LYS  32          1HZ       LYS  32 -11.300  11.379  11.379
  256   2HZ   LYS  32          2HZ       LYS  32 -12.387  10.722  10.722
  257    H    CYS  33           H        CYS  33  -5.935   7.394   7.394
  258    HA   CYS  33           HA       CYS  33  -4.077   7.073   7.073
  259   1HB   CYS  33          2HB       CYS  33  -3.478   6.848   6.848
  260   2HB   CYS  33          1HB       CYS  33  -3.844   8.538   8.538
  261    HA   PRO  34           HA       PRO  34  -4.718  10.958  10.958
  262   1HB   PRO  34          2HB       PRO  34  -2.555  11.000  11.000
  263   2HB   PRO  34          1HB       PRO  34  -4.041  10.151  10.151
  264   1HG   PRO  34          2HG       PRO  34  -1.443   9.043   9.043
  265   2HG   PRO  34          1HG       PRO  34  -2.781   8.221   8.221
  266   1HD   PRO  34          2HD       PRO  34  -2.076   8.103   8.103
  267   2HD   PRO  34          1HD       PRO  34  -3.479   7.376   7.376
  268    H    ARG  35           H        ARG  35  -1.592  10.234  10.234
  269    HA   ARG  35           HA       ARG  35  -1.605  12.508  12.508
  270   1HB   ARG  35          2HB       ARG  35   0.341  13.739  13.739
  271   2HB   ARG  35          1HB       ARG  35  -1.262  13.932  13.932
  272   1HG   ARG  35          2HG       ARG  35  -0.592  11.794  11.794
  273   2HG   ARG  35          1HG       ARG  35   1.045  12.268  12.268
  274   1HD   ARG  35          2HD       ARG  35  -0.152  14.694  14.694
  275   2HD   ARG  35          1HD       ARG  35  -0.855  13.533  13.533
  276    HE   ARG  35           HE       ARG  35   1.290  13.110  13.110
  277   1HH1  ARG  35          2HH2      ARG  35   1.549  15.245  15.245
  278   2HH1  ARG  35          1HH2      ARG  35   3.188  15.693  15.693
  279    HH2  ARG  35          1HH       ARG  35   4.288  14.773  14.773
  280    H    ASP  36           H        ASP  36   0.577  12.813  12.813
  281    HA   ASP  36           HA       ASP  36   1.590  10.409  10.409
  282   1HB   ASP  36          2HB       ASP  36   2.145  12.081  12.081
  283   2HB   ASP  36          1HB       ASP  36   2.402  13.271  13.271
  284    HD1  ASP  36          2HD       ASP  36   5.268  11.600  11.600
  285    H    GLY  37           H        GLY  37   3.349   9.110   9.110
  286   1HA   GLY  37          1HA       GLY  37   5.299   8.652   8.652
  287   2HA   GLY  37          2HA       GLY  37   5.178  10.174  10.174
  288    H    ALA  38           H        ALA  38   2.168   9.541   9.541
  289    HA   ALA  38           HA       ALA  38   2.255   8.798   8.798
  290   1HB   ALA  38          3HB       ALA  38   0.224   8.291   8.291
  291   2HB   ALA  38          1HB       ALA  38  -0.084   7.767   7.767
  292   3HB   ALA  38          2HB       ALA  38   0.183   9.490   9.490
  293    H    LYS  39           H        LYS  39   3.059   7.093   7.093
  294    HA   LYS  39           HA       LYS  39   3.917   4.773   4.773
  295   1HB   LYS  39          2HB       LYS  39   5.084   5.706   5.706
  296   2HB   LYS  39          1HB       LYS  39   3.698   5.359   5.359
  297   1HG   LYS  39          2HG       LYS  39   4.596   3.008   3.008
  298   2HG   LYS  39          1HG       LYS  39   5.836   3.626   3.626
  299   1HD   LYS  39          2HD       LYS  39   3.470   3.685   3.685
  300   2HD   LYS  39          1HD       LYS  39   3.367   2.182   2.182
  301   1HE   LYS  39          2HE       LYS  39   4.606   1.496   1.496
  302   2HE   LYS  39          1HE       LYS  39   5.894   1.868   1.868
  303   1HZ   LYS  39          1HZ       LYS  39   5.434   4.264   4.264
  304   2HZ   LYS  39          2HZ       LYS  39   5.191   3.237   3.237
  305    H    CYS  40           H        CYS  40   3.133   2.601   2.601
  306    HA   CYS  40           HA       CYS  40   0.610   2.198   2.198
  307   1HB   CYS  40          2HB       CYS  40  -0.267   3.110   3.110
  308   2HB   CYS  40          1HB       CYS  40   0.833   2.180   2.180
  309    H    GLU  41           H        GLU  41   0.011  -0.207  -0.207
  310    HA   GLU  41           HA       GLU  41   2.354  -1.792  -1.792
  311   1HB   GLU  41          2HB       GLU  41   1.407  -3.200  -3.200
  312   2HB   GLU  41          1HB       GLU  41   2.680  -2.002  -2.002
  313   1HG   GLU  41          2HG       GLU  41  -0.267  -1.277  -1.277
  314   2HG   GLU  41          1HG       GLU  41   0.713  -1.775  -1.775
  315    HE1  GLU  41          2HE       GLU  41   2.597   0.677   0.677
  316    H    PHE  42           H        PHE  42   1.901  -3.719  -3.719
  317    HA   PHE  42           HA       PHE  42  -0.916  -4.123  -4.123
  318   1HB   PHE  42          2HB       PHE  42   0.820  -3.894  -3.894
  319   2HB   PHE  42          1HB       PHE  42   1.746  -5.203  -5.203
  320    HD1  PHE  42          2HD       PHE  42  -1.894  -4.863  -4.863
  321    HD2  PHE  42          1HD       PHE  42   1.713  -6.997  -6.997
  322    HE1  PHE  42          2HE       PHE  42  -3.134  -6.514  -6.514
  323    HE2  PHE  42          1HE       PHE  42   0.472  -8.647  -8.647
  324    HZ   PHE  42           HZ       PHE  42  -1.937  -8.386  -8.386
  325    H    ASP  43           H        ASP  43  -2.021  -5.569  -5.569
  326    HA   ASP  43           HA       ASP  43  -0.557  -7.527  -7.527
  327   1HB   ASP  43          2HB       ASP  43  -2.882  -6.165  -6.165
  328   2HB   ASP  43          1HB       ASP  43  -3.549  -7.648  -7.648
  329    HD2  ASP  43          2HD       ASP  43  -3.646  -7.729  -7.729
  330    H    SER  44           H        SER  44  -0.384  -9.733  -9.733
  331    HA   SER  44           HA       SER  44  -1.484 -10.431 -10.431
  332   1HB   SER  44          2HB       SER  44   0.139 -12.131 -12.131
  333   2HB   SER  44          1HB       SER  44   0.956 -10.865 -10.865
  334    HG   SER  44           HG       SER  44  -0.123 -13.344 -13.344
  335    H    TYR  45           H        TYR  45  -2.286 -10.678 -10.678
  336    HA   TYR  45           HA       TYR  45  -3.436 -13.267 -13.267
  337   1HB   TYR  45          2HB       TYR  45  -3.993 -12.565 -12.565
  338   2HB   TYR  45          1HB       TYR  45  -2.692 -11.446 -11.446
  339    HD1  TYR  45           HD1      TYR  45  -4.070  -9.516  -9.516
  340    HD2  TYR  45           HD2      TYR  45  -5.401 -11.373 -11.373
  341    HE1  TYR  45           HE1      TYR  45  -5.639  -7.563  -7.563
  342    HE2  TYR  45           HE2      TYR  45  -6.965  -9.414  -9.414
  343    HH   TYR  45           HH       TYR  45  -7.714  -7.526  -7.526
  344    H    LYS  46           H        LYS  46  -4.310 -10.431 -10.431
  345    HA   LYS  46           HA       LYS  46  -6.940 -11.537 -11.537
  346   1HB   LYS  46          2HB       LYS  46  -6.513  -8.793  -8.793
  347   2HB   LYS  46          1HB       LYS  46  -7.968  -9.232  -9.232
  348   1HG   LYS  46          2HG       LYS  46  -7.910 -11.354 -11.354
  349   2HG   LYS  46          1HG       LYS  46  -6.944 -10.280 -10.280
  350   1HD   LYS  46          2HD       LYS  46  -8.727  -8.603  -8.603
  351   2HD   LYS  46          1HD       LYS  46  -9.663  -9.489  -9.489
  352   1HE   LYS  46          2HE       LYS  46 -10.395 -11.066 -11.066
  353   2HE   LYS  46          1HE       LYS  46  -8.904 -11.026 -11.026
  354   1HZ   LYS  46          1HZ       LYS  46 -11.260  -9.357  -9.357
  355   2HZ   LYS  46          2HZ       LYS  46 -10.185  -9.827  -9.827
  356    H    GLY  47           H        GLY  47  -4.762  -8.686  -8.686
  357   1HA   GLY  47          1HA       GLY  47  -3.707  -8.561  -8.561
  358   2HA   GLY  47          2HA       GLY  47  -5.205  -9.124  -9.124
  359    H    LYS  48           H        LYS  48  -5.485  -6.942  -6.942
  360    HA   LYS  48           HA       LYS  48  -6.595  -4.942  -4.942
  361   1HB   LYS  48          2HB       LYS  48  -6.640  -5.420  -5.420
  362   2HB   LYS  48          1HB       LYS  48  -7.118  -3.871  -3.871
  363   1HG   LYS  48          2HG       LYS  48  -8.669  -5.228  -5.228
  364   2HG   LYS  48          1HG       LYS  48  -8.366  -6.594  -6.594
  365   1HD   LYS  48          2HD       LYS  48  -9.131  -4.065  -4.065
  366   2HD   LYS  48          1HD       LYS  48 -10.383  -4.762  -4.762
  367   1HE   LYS  48          2HE       LYS  48 -10.780  -6.413  -6.413
  368   2HE   LYS  48          1HE       LYS  48  -9.091  -6.878  -6.878
  369   1HZ   LYS  48          1HZ       LYS  48  -8.659  -5.475  -5.475
  370   2HZ   LYS  48          2HZ       LYS  48  -9.886  -4.453  -4.453
  371    H    CYS  49           H        CYS  49  -6.075  -2.539  -2.539
  372    HA   CYS  49           HA       CYS  49  -3.165  -2.395  -2.395
  373   1HB   CYS  49          2HB       CYS  49  -3.353  -1.757  -1.757
  374   2HB   CYS  49          1HB       CYS  49  -4.966  -1.101  -1.101
  375    H    TYR  50           H        TYR  50  -3.111  -1.886  -1.886
  376    HA   TYR  50           HA       TYR  50  -5.030  -0.170  -0.170
  377   1HB   TYR  50          2HB       TYR  50  -2.295  -1.392  -1.392
  378   2HB   TYR  50          1HB       TYR  50  -3.022  -0.270  -0.270
  379    HD1  TYR  50           HD2      TYR  50  -5.552  -2.111  -2.111
  380    HD2  TYR  50           HD1      TYR  50  -2.708  -2.398  -2.398
  381    HE1  TYR  50           HE2      TYR  50  -6.886  -4.014  -4.014
  382    HE2  TYR  50           HE1      TYR  50  -4.052  -4.301  -4.301
  383    HH   TYR  50           HH       TYR  50  -7.017  -4.879  -4.879
  384    H    CYS  51           H        CYS  51  -4.604   1.492   1.492
  385    HA   CYS  51           HA       CYS  51  -2.268   3.029   3.029
  386   1HB   CYS  51          2HB       CYS  51  -4.890   4.143   4.143
  387   2HB   CYS  51          1HB       CYS  51  -3.274   4.446   4.446

  Start of MODEL   18
    1    H    ALA   1           H        ALA   1   2.580 -12.234 -12.234
    2    HA   ALA   1           HA       ALA   1   4.393 -11.230 -11.230
    3   1HB   ALA   1          2HB       ALA   1   2.228 -12.977 -12.977
    4   2HB   ALA   1          3HB       ALA   1   2.782 -12.025 -12.025
    5   3HB   ALA   1          1HB       ALA   1   3.941 -13.018 -13.018
    6    H    THR   2           H        THR   2   2.794  -8.959  -8.959
    7    HA   THR   2           HA       THR   2   1.707  -7.618  -7.618
    8    HB   THR   2           HB       THR   2   2.761  -6.163  -6.163
    9    HG1  THR   2          1HG       THR   2   0.906  -7.209  -7.209
   10   1HG2  THR   2          3HG2      THR   2   1.019  -5.378  -5.378
   11   2HG2  THR   2          1HG2      THR   2  -0.123  -6.294  -6.294
   12   3HG2  THR   2          2HG2      THR   2   0.778  -4.924  -4.924
   13    H    TYR   3           H        TYR   3   2.521  -5.904  -5.904
   14    HA   TYR   3           HA       TYR   3   5.463  -5.793  -5.793
   15   1HB   TYR   3          2HB       TYR   3   3.396  -5.375  -5.375
   16   2HB   TYR   3          1HB       TYR   3   5.134  -5.423  -5.423
   17    HD1  TYR   3           HD2      TYR   3   2.138  -7.456  -7.456
   18    HD2  TYR   3           HD1      TYR   3   6.329  -7.520  -7.520
   19    HE1  TYR   3           HE2      TYR   3   2.023  -9.962  -9.962
   20    HE2  TYR   3           HE1      TYR   3   6.199 -10.026 -10.026
   21    HH   TYR   3           HH       TYR   3   4.936 -11.842 -11.842
   22    H    ASN   4           H        ASN   4   6.309  -3.847  -3.847
   23    HA   ASN   4           HA       ASN   4   4.586  -1.650  -1.650
   24   1HB   ASN   4          2HB       ASN   4   7.608  -1.386  -1.386
   25   2HB   ASN   4          1HB       ASN   4   6.490  -0.560  -0.560
   26   1HD2  ASN   4          2HD2      ASN   4   5.883  -3.704  -3.704
   27   2HD2  ASN   4          1HD2      ASN   4   4.944  -2.635  -2.635
   28    H    GLY   5           H        GLY   5   5.051   0.556   0.556
   29   1HA   GLY   5          1HA       GLY   5   6.621   0.968   0.968
   30   2HA   GLY   5          2HA       GLY   5   5.139   0.269   0.269
   31    H    LYS   6           H        LYS   6   4.964   2.466   2.466
   32    HA   LYS   6           HA       LYS   6   3.686   4.337   4.337
   33   1HB   LYS   6          2HB       LYS   6   5.095   5.317   5.317
   34   2HB   LYS   6          1HB       LYS   6   4.714   6.170   6.170
   35   1HG   LYS   6          2HG       LYS   6   6.892   5.779   5.779
   36   2HG   LYS   6          1HG       LYS   6   6.349   4.163   4.163
   37   1HD   LYS   6          2HD       LYS   6   7.102   3.251   3.251
   38   2HD   LYS   6          1HD       LYS   6   7.135   4.814   4.814
   39   1HE   LYS   6          2HE       LYS   6   9.246   5.291   5.291
   40   2HE   LYS   6          1HE       LYS   6   8.909   4.698   4.698
   41   1HZ   LYS   6          1HZ       LYS   6   8.971   2.391   2.391
   42   2HZ   LYS   6          2HZ       LYS   6   9.909   3.205   3.205
   43    H    CYS   7           H        CYS   7   2.186   5.911   5.911
   44    HA   CYS   7           HA       CYS   7   0.931   4.412   4.412
   45   1HB   CYS   7          2HB       CYS   7  -1.257   5.468   5.468
   46   2HB   CYS   7          1HB       CYS   7  -0.664   3.868   3.868
   47    H    TYR   8           H        TYR   8  -0.472   5.899   5.899
   48    HA   TYR   8           HA       TYR   8   0.538   8.660   8.660
   49   1HB   TYR   8          2HB       TYR   8  -0.152   6.745   6.745
   50   2HB   TYR   8          1HB       TYR   8   0.150   8.451   8.451
   51    HD1  TYR   8           HD2      TYR   8   1.823   5.603   5.603
   52    HD2  TYR   8           HD1      TYR   8   2.261   8.989   8.989
   53    HE1  TYR   8           HE2      TYR   8   4.314   5.138   5.138
   54    HE2  TYR   8           HE1      TYR   8   4.751   8.512   8.512
   55    HH   TYR   8           HH       TYR   8   6.244   6.634   6.634
   56    H    LYS   9           H        LYS   9  -0.937  10.342  10.342
   57    HA   LYS   9           HA       LYS   9  -3.701   9.558   9.558
   58   1HB   LYS   9          2HB       LYS   9  -4.082  11.898  11.898
   59   2HB   LYS   9          1HB       LYS   9  -2.733  11.289  11.289
   60   1HG   LYS   9          2HG       LYS   9  -1.803  13.275  13.275
   61   2HG   LYS   9          1HG       LYS   9  -1.284  12.188  12.188
   62   1HD   LYS   9          2HD       LYS   9  -2.235  13.809  13.809
   63   2HD   LYS   9          1HD       LYS   9  -3.684  12.869  12.869
   64   1HE   LYS   9          2HE       LYS   9  -4.646  14.532  14.532
   65   2HE   LYS   9          1HE       LYS   9  -3.181  14.820  14.820
   66   1HZ   LYS   9          1HZ       LYS   9  -2.680  15.742  15.742
   67   2HZ   LYS   9          2HZ       LYS   9  -4.167  16.293  16.293
   68    H    LYS  10           H        LYS  10  -1.632  11.431  11.431
   69    HA   LYS  10           HA       LYS  10  -3.641  12.125  12.125
   70   1HB   LYS  10          2HB       LYS  10  -0.818  12.303  12.303
   71   2HB   LYS  10          1HB       LYS  10  -1.176  11.560  11.560
   72   1HG   LYS  10          2HG       LYS  10  -3.054  13.484  13.484
   73   2HG   LYS  10          1HG       LYS  10  -1.980  14.279  14.279
   74   1HD   LYS  10          2HD       LYS  10  -0.967  13.112  13.112
   75   2HD   LYS  10          1HD       LYS  10  -1.592  14.746  14.746
   76   1HE   LYS  10          2HE       LYS  10   0.393  14.096  14.096
   77   2HE   LYS  10          1HE       LYS  10   1.045  14.003  14.003
   78   1HZ   LYS  10          1HZ       LYS  10   0.131  16.338  16.338
   79   2HZ   LYS  10          2HZ       LYS  10   1.239  16.236  16.236
   80    H    ASP  11           H        ASP  11  -2.155   9.014   9.014
   81    HA   ASP  11           HA       ASP  11  -3.481   7.958   7.958
   82   1HB   ASP  11          2HB       ASP  11  -0.938   7.604   7.604
   83   2HB   ASP  11          1HB       ASP  11  -1.398   6.541   6.541
   84    HD1  ASP  11          2HD       ASP  11  -3.664   5.333   5.333
   85    H    ASN  12           H        ASN  12  -3.479   8.223   8.223
   86    HA   ASN  12           HA       ASN  12  -4.529   7.236   7.236
   87   1HB   ASN  12          2HB       ASN  12  -6.556   8.020   8.020
   88   2HB   ASN  12          1HB       ASN  12  -6.494   6.756   6.756
   89   1HD2  ASN  12          2HD2      ASN  12  -7.704   5.915   5.915
   90   2HD2  ASN  12          1HD2      ASN  12  -6.640   7.233   7.233
   91    H    ILE  13           H        ILE  13  -2.535   5.584   5.584
   92    HA   ILE  13           HA       ILE  13  -3.744   2.934   2.934
   93    HB   ILE  13           HB       ILE  13  -1.908   2.108   2.108
   94   1HG1  ILE  13          2HG1      ILE  13  -1.251   4.160   4.160
   95   2HG1  ILE  13          3HG1      ILE  13  -1.333   5.023   5.023
   96   1HG2  ILE  13          2HG2      ILE  13  -4.418   2.949   2.949
   97   2HG2  ILE  13          3HG2      ILE  13  -3.463   3.933   3.933
   98   3HG2  ILE  13          1HG2      ILE  13  -3.321   2.159   2.159
   99   1HD1  ILE  13          3HD1      ILE  13   0.203   3.330   3.330
  100   2HD1  ILE  13          1HD1      ILE  13   0.321   2.515   2.515
  101   3HD1  ILE  13          2HD1      ILE  13   0.946   4.170   4.170
  102    H    CYS  14           H        CYS  14  -1.612   1.342   1.342
  103    HA   CYS  14           HA       CYS  14   0.006   2.676   2.676
  104   1HB   CYS  14          2HB       CYS  14  -1.595   1.766   1.766
  105   2HB   CYS  14          1HB       CYS  14  -1.825   0.341   0.341
  106    H    LYS  15           H        LYS  15   2.116   2.311   2.311
  107    HA   LYS  15           HA       LYS  15   2.659  -0.123  -0.123
  108   1HB   LYS  15          2HB       LYS  15   4.091   2.546   2.546
  109   2HB   LYS  15          1HB       LYS  15   4.721   1.135   1.135
  110   1HG   LYS  15          2HG       LYS  15   3.100   1.203   1.203
  111   2HG   LYS  15          1HG       LYS  15   1.886   1.913   1.913
  112   1HD   LYS  15          2HD       LYS  15   2.863   3.450   3.450
  113   2HD   LYS  15          1HD       LYS  15   2.814   4.106   4.106
  114   1HE   LYS  15          2HE       LYS  15   5.173   3.707   3.707
  115   2HE   LYS  15          1HE       LYS  15   5.282   2.674   2.674
  116   1HZ   LYS  15          1HZ       LYS  15   5.759   4.502   4.502
  117   2HZ   LYS  15          2HZ       LYS  15   4.296   5.140   5.140
  118    H    TYR  16           H        TYR  16   3.726  -1.749  -1.749
  119    HA   TYR  16           HA       TYR  16   5.573  -1.052  -1.052
  120   1HB   TYR  16          2HB       TYR  16   4.486  -2.857  -2.857
  121   2HB   TYR  16          1HB       TYR  16   3.302  -1.634  -1.634
  122    HD1  TYR  16           HD2      TYR  16   4.555  -5.007  -5.007
  123    HD2  TYR  16           HD1      TYR  16   1.338  -2.195  -2.195
  124    HE1  TYR  16           HE2      TYR  16   3.058  -6.792  -6.792
  125    HE2  TYR  16           HE1      TYR  16  -0.148  -3.989  -3.989
  126    HH   TYR  16           HH       TYR  16  -0.339  -6.083  -6.083
  127    H    LYS  17           H        LYS  17   7.018  -2.921  -2.921
  128    HA   LYS  17           HA       LYS  17   7.826  -4.219  -4.219
  129   1HB   LYS  17          2HB       LYS  17   8.970  -4.197  -4.197
  130   2HB   LYS  17          1HB       LYS  17   9.697  -5.052  -5.052
  131   1HG   LYS  17          2HG       LYS  17   9.007  -2.227  -2.227
  132   2HG   LYS  17          1HG       LYS  17  10.191  -2.399  -2.399
  133   1HD   LYS  17          2HD       LYS  17  11.764  -3.460  -3.460
  134   2HD   LYS  17          1HD       LYS  17  10.542  -4.046  -4.046
  135   1HE   LYS  17          2HE       LYS  17  10.370  -1.995  -1.995
  136   2HE   LYS  17          1HE       LYS  17  10.868  -1.059  -1.059
  137   1HZ   LYS  17          1HZ       LYS  17  12.805  -2.897  -2.897
  138   2HZ   LYS  17          2HZ       LYS  17  12.543  -1.442  -1.442
  139    H    ALA  18           H        ALA  18   7.563  -6.351  -6.351
  140    HA   ALA  18           HA       ALA  18   5.586  -7.808  -7.808
  141   1HB   ALA  18          1HB       ALA  18   5.670  -7.786  -7.786
  142   2HB   ALA  18          2HB       ALA  18   7.286  -8.532  -8.532
  143   3HB   ALA  18          3HB       ALA  18   5.871  -9.441  -9.441
  144    H    GLN  19           H        GLN  19   7.760 -10.063 -10.063
  145    HA   GLN  19           HA       GLN  19   9.068 -10.312 -10.312
  146   1HB   GLN  19          2HB       GLN  19   7.083 -12.006 -12.006
  147   2HB   GLN  19          1HB       GLN  19   8.502 -12.835 -12.835
  148   1HG   GLN  19          2HG       GLN  19   8.129 -13.688 -13.688
  149   2HG   GLN  19          1HG       GLN  19   9.525 -12.634 -12.634
  150   1HE2  GLN  19          2HE2      GLN  19   8.089 -10.213 -10.213
  151   2HE2  GLN  19          1HE2      GLN  19   9.401 -10.673 -10.673
  152    H    SER  20           H        SER  20   9.487  -9.622  -9.622
  153    HA   SER  20           HA       SER  20  12.176 -10.705 -10.705
  154   1HB   SER  20          2HB       SER  20  10.102 -11.563 -11.563
  155   2HB   SER  20          1HB       SER  20  11.304 -10.692 -10.692
  156    HG   SER  20           HG       SER  20  12.863 -12.138 -12.138
  157    H    GLY  21           H        GLY  21  10.462  -8.035  -8.035
  158   1HA   GLY  21          1HA       GLY  21  11.186  -5.876  -5.876
  159   2HA   GLY  21          2HA       GLY  21  12.426  -6.398  -6.398
  160    H    LYS  22           H        LYS  22  10.063  -8.061  -8.061
  161    HA   LYS  22           HA       LYS  22   9.710  -6.585  -6.585
  162   1HB   LYS  22          2HB       LYS  22   8.279  -8.792  -8.792
  163   2HB   LYS  22          1HB       LYS  22   7.265  -7.850  -7.850
  164   1HG   LYS  22          2HG       LYS  22  10.025  -8.720  -8.720
  165   2HG   LYS  22          1HG       LYS  22   8.689  -9.853  -9.853
  166   1HD   LYS  22          2HD       LYS  22   7.937  -7.227  -7.227
  167   2HD   LYS  22          1HD       LYS  22   9.322  -7.904  -7.904
  168   1HE   LYS  22          2HE       LYS  22   7.463  -8.793  -8.793
  169   2HE   LYS  22          1HE       LYS  22   7.958 -10.113 -10.113
  170   1HZ   LYS  22          1HZ       LYS  22   5.859 -10.072 -10.072
  171   2HZ   LYS  22          2HZ       LYS  22   6.177  -8.657  -8.657
  172    H    THR  23           H        THR  23   8.205  -6.071  -6.071
  173    HA   THR  23           HA       THR  23   6.777  -4.534  -4.534
  174    HB   THR  23           HB       THR  23   8.723  -3.235  -3.235
  175    HG1  THR  23          1HG       THR  23   7.265  -2.374  -2.374
  176   1HG2  THR  23          2HG2      THR  23   6.022  -1.909  -1.909
  177   2HG2  THR  23          3HG2      THR  23   7.506  -0.985  -0.985
  178   3HG2  THR  23          1HG2      THR  23   6.836  -2.074  -2.074
  179    H    ALA  24           H        ALA  24   4.686  -5.077  -5.077
  180    HA   ALA  24           HA       ALA  24   3.485  -4.794  -4.794
  181   1HB   ALA  24          1HB       ALA  24   3.270  -6.978  -6.978
  182   2HB   ALA  24          2HB       ALA  24   2.504  -6.181  -6.181
  183   3HB   ALA  24          3HB       ALA  24   1.684  -6.192  -6.192
  184    H    ILE  25           H        ILE  25   1.271  -3.807  -3.807
  185    HA   ILE  25           HA       ILE  25   1.125  -1.600  -1.600
  186    HB   ILE  25           HB       ILE  25  -0.147  -1.588  -1.588
  187   1HG1  ILE  25          2HG1      ILE  25   2.050  -2.105  -2.105
  188   2HG1  ILE  25          3HG1      ILE  25   1.951  -0.360  -0.360
  189   1HG2  ILE  25          1HG2      ILE  25   0.467   0.373   0.373
  190   2HG2  ILE  25          2HG2      ILE  25   0.630   0.933   0.933
  191   3HG2  ILE  25          3HG2      ILE  25  -0.921   0.272   0.272
  192   1HD1  ILE  25          2HD1      ILE  25   2.736  -0.768  -0.768
  193   2HD1  ILE  25          3HD1      ILE  25   3.637  -2.003  -2.003
  194   3HD1  ILE  25          1HD1      ILE  25   3.797  -0.285  -0.285
  195    H    CYS  26           H        CYS  26  -0.743  -1.273  -1.273
  196    HA   CYS  26           HA       CYS  26  -2.957  -3.076  -3.076
  197   1HB   CYS  26          2HB       CYS  26  -1.937  -4.116  -4.116
  198   2HB   CYS  26          1HB       CYS  26  -1.653  -2.595  -2.595
  199    H    LYS  27           H        LYS  27  -4.358  -1.542  -1.542
  200    HA   LYS  27           HA       LYS  27  -4.509   1.088   1.088
  201   1HB   LYS  27          2HB       LYS  27  -6.925  -0.729  -0.729
  202   2HB   LYS  27          1HB       LYS  27  -6.847   0.967   0.967
  203   1HG   LYS  27          2HG       LYS  27  -6.005   0.460   0.460
  204   2HG   LYS  27          1HG       LYS  27  -4.669  -0.414  -0.414
  205   1HD   LYS  27          2HD       LYS  27  -7.388  -1.738  -1.738
  206   2HD   LYS  27          1HD       LYS  27  -6.436  -1.664  -1.664
  207   1HE   LYS  27          2HE       LYS  27  -4.483  -2.665  -2.665
  208   2HE   LYS  27          1HE       LYS  27  -5.631  -2.948  -2.948
  209   1HZ   LYS  27          1HZ       LYS  27  -6.021  -3.985  -3.985
  210   2HZ   LYS  27          2HZ       LYS  27  -5.358  -4.863  -4.863
  211    H    CYS  28           H        CYS  28  -5.714   2.549   2.549
  212    HA   CYS  28           HA       CYS  28  -5.577   1.734   1.734
  213   1HB   CYS  28          2HB       CYS  28  -6.437   4.276   4.276
  214   2HB   CYS  28          1HB       CYS  28  -6.577   4.065   4.065
  215    H    TYR  29           H        TYR  29  -7.697   2.613   2.613
  216    HA   TYR  29           HA       TYR  29 -10.221   2.328   2.328
  217   1HB   TYR  29          2HB       TYR  29  -9.439  -0.037  -0.037
  218   2HB   TYR  29          1HB       TYR  29  -8.919  -0.130  -0.130
  219    HD1  TYR  29           HD2      TYR  29 -12.121   1.113   1.113
  220    HD2  TYR  29           HD1      TYR  29 -10.230  -1.732  -1.732
  221    HE1  TYR  29           HE2      TYR  29 -14.396   0.189   0.189
  222    HE2  TYR  29           HE1      TYR  29 -12.510  -2.646  -2.646
  223    HH   TYR  29           HH       TYR  29 -15.470  -1.103  -1.103
  224    H    VAL  30           H        VAL  30 -11.891   2.638   2.638
  225    HA   VAL  30           HA       VAL  30 -12.768   3.285   3.285
  226    HB   VAL  30           HB       VAL  30 -10.441   2.167   2.167
  227   1HG1  VAL  30          3HG1      VAL  30 -13.438   2.297   2.297
  228   2HG1  VAL  30          1HG1      VAL  30 -12.305   1.415   1.415
  229   3HG1  VAL  30          2HG1      VAL  30 -12.165   3.181   3.181
  230   1HG2  VAL  30          2HG2      VAL  30 -12.148   0.708   0.708
  231   2HG2  VAL  30          3HG2      VAL  30 -10.611   0.234   0.234
  232   3HG2  VAL  30          1HG2      VAL  30 -12.144   0.018   0.018
  233    H    LYS  31           H        LYS  31  -9.234   3.525   3.525
  234    HA   LYS  31           HA       LYS  31  -9.694   6.396   6.396
  235   1HB   LYS  31          2HB       LYS  31  -8.025   4.362   4.362
  236   2HB   LYS  31          1HB       LYS  31  -7.408   5.999   5.999
  237   1HG   LYS  31          2HG       LYS  31  -9.015   6.837   6.837
  238   2HG   LYS  31          1HG       LYS  31 -10.288   5.853   5.853
  239   1HD   LYS  31          2HD       LYS  31  -8.693   3.936   3.936
  240   2HD   LYS  31          1HD       LYS  31  -8.531   5.298   5.298
  241   1HE   LYS  31          2HE       LYS  31 -11.089   5.500   5.500
  242   2HE   LYS  31          1HE       LYS  31 -11.134   3.989   3.989
  243   1HZ   LYS  31          1HZ       LYS  31  -9.546   3.330   3.330
  244   2HZ   LYS  31          2HZ       LYS  31 -10.495   4.430   4.430
  245    H    LYS  32           H        LYS  32  -9.496   6.782   6.782
  246    HA   LYS  32           HA       LYS  32  -7.561   5.983   5.983
  247   1HB   LYS  32          2HB       LYS  32  -8.755   7.401   7.401
  248   2HB   LYS  32          1HB       LYS  32  -9.376   8.207   8.207
  249   1HG   LYS  32          2HG       LYS  32  -7.287   9.584   9.584
  250   2HG   LYS  32          1HG       LYS  32  -6.671   8.780   8.780
  251   1HD   LYS  32          2HD       LYS  32  -7.753  11.026  11.026
  252   2HD   LYS  32          1HD       LYS  32  -8.427   9.703   9.703
  253   1HE   LYS  32          2HE       LYS  32 -10.396   9.586   9.586
  254   2HE   LYS  32          1HE       LYS  32  -9.661  10.500  10.500
  255   1HZ   LYS  32          1HZ       LYS  32 -10.535  11.545  11.545
  256   2HZ   LYS  32          2HZ       LYS  32 -11.059  12.004  12.004
  257    H    CYS  33           H        CYS  33  -5.517   7.042   7.042
  258    HA   CYS  33           HA       CYS  33  -3.690   7.170   7.170
  259   1HB   CYS  33          2HB       CYS  33  -3.042   6.573   6.573
  260   2HB   CYS  33          1HB       CYS  33  -3.512   8.146   8.146
  261    HA   PRO  34           HA       PRO  34  -4.281  11.301  11.301
  262   1HB   PRO  34          2HB       PRO  34  -2.121  11.556  11.556
  263   2HB   PRO  34          1HB       PRO  34  -3.621  10.796  10.796
  264   1HG   PRO  34          2HG       PRO  34  -1.040   9.529   9.529
  265   2HG   PRO  34          1HG       PRO  34  -2.393   8.853   8.853
  266   1HD   PRO  34          2HD       PRO  34  -1.685   8.313   8.313
  267   2HD   PRO  34          1HD       PRO  34  -3.102   7.730   7.730
  268    H    ARG  35           H        ARG  35  -1.221  10.304  10.304
  269    HA   ARG  35           HA       ARG  35  -1.160  12.281  12.281
  270   1HB   ARG  35          2HB       ARG  35   0.834  13.656  13.656
  271   2HB   ARG  35          1HB       ARG  35  -0.831  14.095  14.095
  272   1HG   ARG  35          2HG       ARG  35  -0.825  12.974  12.974
  273   2HG   ARG  35          1HG       ARG  35   0.656  12.112  12.112
  274   1HD   ARG  35          2HD       ARG  35   1.793  13.783  13.783
  275   2HD   ARG  35          1HD       ARG  35   1.364  14.830  14.830
  276    HE   ARG  35           HE       ARG  35   0.058  14.737  14.737
  277   1HH1  ARG  35          2HH2      ARG  35  -0.082  15.951  15.951
  278   2HH1  ARG  35          1HH2      ARG  35  -1.188  17.228  17.228
  279    HH2  ARG  35          1HH       ARG  35  -1.950  17.487  17.487
  280    H    ASP  36           H        ASP  36   0.636  11.946  11.946
  281    HA   ASP  36           HA       ASP  36   1.827   9.605   9.605
  282   1HB   ASP  36          2HB       ASP  36   3.276  12.205  12.205
  283   2HB   ASP  36          1HB       ASP  36   3.595  10.633  10.633
  284    HD2  ASP  36          2HD       ASP  36   2.348  13.364  13.364
  285    H    GLY  37           H        GLY  37   3.530   8.519   8.519
  286   1HA   GLY  37          1HA       GLY  37   5.612   8.480   8.480
  287   2HA   GLY  37          2HA       GLY  37   5.340  10.104  10.104
  288    H    ALA  38           H        ALA  38   2.364   9.130   9.130
  289    HA   ALA  38           HA       ALA  38   2.638   8.748   8.748
  290   1HB   ALA  38          2HB       ALA  38   0.399   8.003   8.003
  291   2HB   ALA  38          3HB       ALA  38   0.240   8.021   8.021
  292   3HB   ALA  38          1HB       ALA  38   0.581   9.531   9.531
  293    H    LYS  39           H        LYS  39   3.406   7.067   7.067
  294    HA   LYS  39           HA       LYS  39   4.103   4.643   4.643
  295   1HB   LYS  39          2HB       LYS  39   5.313   5.643   5.643
  296   2HB   LYS  39          1HB       LYS  39   3.932   5.338   5.338
  297   1HG   LYS  39          2HG       LYS  39   4.697   2.917   2.917
  298   2HG   LYS  39          1HG       LYS  39   6.052   3.552   3.552
  299   1HD   LYS  39          2HD       LYS  39   4.659   3.601   3.601
  300   2HD   LYS  39          1HD       LYS  39   3.281   3.004   3.004
  301   1HE   LYS  39          2HE       LYS  39   5.930   1.511   1.511
  302   2HE   LYS  39          1HE       LYS  39   4.483   1.186   1.186
  303   1HZ   LYS  39          1HZ       LYS  39   3.432   0.941   0.941
  304   2HZ   LYS  39          2HZ       LYS  39   4.965   0.648   0.648
  305    H    CYS  40           H        CYS  40   3.220   2.522   2.522
  306    HA   CYS  40           HA       CYS  40   0.745   2.241   2.241
  307   1HB   CYS  40          2HB       CYS  40  -0.297   3.167   3.167
  308   2HB   CYS  40          1HB       CYS  40   0.792   2.386   2.386
  309    H    GLU  41           H        GLU  41   0.013  -0.131  -0.131
  310    HA   GLU  41           HA       GLU  41   2.247  -1.810  -1.810
  311   1HB   GLU  41          2HB       GLU  41   1.260  -3.212  -3.212
  312   2HB   GLU  41          1HB       GLU  41   2.635  -2.129  -2.129
  313   1HG   GLU  41          2HG       GLU  41  -0.167  -1.022  -1.022
  314   2HG   GLU  41          1HG       GLU  41   0.612  -1.837  -1.837
  315    HE1  GLU  41          2HE       GLU  41   3.027  -1.041  -1.041
  316    H    PHE  42           H        PHE  42   1.665  -3.642  -3.642
  317    HA   PHE  42           HA       PHE  42  -1.174  -3.897  -3.897
  318   1HB   PHE  42          2HB       PHE  42   0.442  -3.786  -3.786
  319   2HB   PHE  42          1HB       PHE  42   1.447  -5.020  -5.020
  320    HD1  PHE  42          2HD       PHE  42  -2.162  -4.715  -4.715
  321    HD2  PHE  42          1HD       PHE  42   1.387  -7.036  -7.036
  322    HE1  PHE  42          2HE       PHE  42  -3.371  -6.480  -6.480
  323    HE2  PHE  42          1HE       PHE  42   0.179  -8.801  -8.801
  324    HZ   PHE  42           HZ       PHE  42  -2.186  -8.502  -8.502
  325    H    ASP  43           H        ASP  43  -2.407  -5.378  -5.378
  326    HA   ASP  43           HA       ASP  43  -1.120  -7.316  -7.316
  327   1HB   ASP  43          2HB       ASP  43  -3.896  -6.332  -6.332
  328   2HB   ASP  43          1HB       ASP  43  -3.792  -8.009  -8.009
  329    HD2  ASP  43          2HD       ASP  43  -3.855  -6.837  -6.837
  330    H    SER  44           H        SER  44  -0.641  -9.429  -9.429
  331    HA   SER  44           HA       SER  44  -1.563 -10.217 -10.217
  332   1HB   SER  44          2HB       SER  44   0.374 -11.395 -11.395
  333   2HB   SER  44          1HB       SER  44   0.839 -10.531 -10.531
  334    HG   SER  44           HG       SER  44   0.820 -12.390 -12.390
  335    H    TYR  45           H        TYR  45  -3.326 -10.093 -10.093
  336    HA   TYR  45           HA       TYR  45  -4.003 -12.939 -12.939
  337   1HB   TYR  45          2HB       TYR  45  -5.211 -10.641 -10.641
  338   2HB   TYR  45          1HB       TYR  45  -4.887 -12.274 -12.274
  339    HD1  TYR  45           HD1      TYR  45  -1.948 -12.318 -12.318
  340    HD2  TYR  45           HD2      TYR  45  -4.171  -9.534  -9.534
  341    HE1  TYR  45           HE1      TYR  45   0.204 -11.522 -11.522
  342    HE2  TYR  45           HE2      TYR  45  -2.012  -8.746  -8.746
  343    HH   TYR  45           HH       TYR  45   0.120  -9.040  -9.040
  344    H    LYS  46           H        LYS  46  -5.084  -9.788  -9.788
  345    HA   LYS  46           HA       LYS  46  -7.567 -11.091 -11.091
  346   1HB   LYS  46          2HB       LYS  46  -7.474  -8.165  -8.165
  347   2HB   LYS  46          1HB       LYS  46  -8.864  -9.219  -9.219
  348   1HG   LYS  46          2HG       LYS  46  -7.598 -10.541 -10.541
  349   2HG   LYS  46          1HG       LYS  46  -6.953  -8.939  -8.939
  350   1HD   LYS  46          2HD       LYS  46  -9.866  -8.919  -8.919
  351   2HD   LYS  46          1HD       LYS  46  -9.437  -9.890  -9.890
  352   1HE   LYS  46          2HE       LYS  46  -7.873  -7.484  -7.484
  353   2HE   LYS  46          1HE       LYS  46  -9.512  -7.000  -7.000
  354   1HZ   LYS  46          1HZ       LYS  46  -8.942  -8.914  -8.914
  355   2HZ   LYS  46          2HZ       LYS  46  -8.991  -7.306  -7.306
  356    H    GLY  47           H        GLY  47  -5.317  -8.287  -8.287
  357   1HA   GLY  47          1HA       GLY  47  -4.176  -8.204  -8.204
  358   2HA   GLY  47          2HA       GLY  47  -5.661  -8.727  -8.727
  359    H    LYS  48           H        LYS  48  -6.002  -6.529  -6.529
  360    HA   LYS  48           HA       LYS  48  -6.902  -4.481  -4.481
  361   1HB   LYS  48          2HB       LYS  48  -7.338  -5.068  -5.068
  362   2HB   LYS  48          1HB       LYS  48  -7.614  -3.448  -3.448
  363   1HG   LYS  48          2HG       LYS  48  -9.660  -4.138  -4.138
  364   2HG   LYS  48          1HG       LYS  48  -8.855  -5.105  -5.105
  365   1HD   LYS  48          2HD       LYS  48 -10.253  -6.634  -6.634
  366   2HD   LYS  48          1HD       LYS  48  -8.622  -6.956  -6.956
  367   1HE   LYS  48          2HE       LYS  48 -10.485  -6.731  -6.731
  368   2HE   LYS  48          1HE       LYS  48  -8.973  -5.892  -5.892
  369   1HZ   LYS  48          1HZ       LYS  48 -11.193  -4.597  -4.597
  370   2HZ   LYS  48          2HZ       LYS  48  -9.945  -3.848  -3.848
  371    H    CYS  49           H        CYS  49  -6.450  -2.112  -2.112
  372    HA   CYS  49           HA       CYS  49  -3.543  -2.067  -2.067
  373   1HB   CYS  49          2HB       CYS  49  -3.601  -1.014  -1.014
  374   2HB   CYS  49          1HB       CYS  49  -5.288  -0.564  -0.564
  375    H    TYR  50           H        TYR  50  -3.397  -1.845  -1.845
  376    HA   TYR  50           HA       TYR  50  -5.319  -0.303  -0.303
  377   1HB   TYR  50          2HB       TYR  50  -2.771  -1.903  -1.903
  378   2HB   TYR  50          1HB       TYR  50  -3.178  -0.764  -0.764
  379    HD1  TYR  50           HD2      TYR  50  -6.002  -2.204  -2.204
  380    HD2  TYR  50           HD1      TYR  50  -3.297  -2.784  -2.784
  381    HE1  TYR  50           HE2      TYR  50  -7.590  -3.906  -3.906
  382    HE2  TYR  50           HE1      TYR  50  -4.894  -4.484  -4.484
  383    HH   TYR  50           HH       TYR  50  -6.926  -5.311  -5.311
  384    H    CYS  51           H        CYS  51  -4.553   1.512   1.512
  385    HA   CYS  51           HA       CYS  51  -2.221   2.912   2.912
  386   1HB   CYS  51          2HB       CYS  51  -4.777   4.180   4.180
  387   2HB   CYS  51          1HB       CYS  51  -3.127   4.657   4.657

  Start of MODEL   19
    1    H    ALA   1           H        ALA   1   3.495 -11.965 -11.965
    2    HA   ALA   1           HA       ALA   1   4.101 -11.497 -11.497
    3   1HB   ALA   1          3HB       ALA   1   1.791 -13.127 -13.127
    4   2HB   ALA   1          1HB       ALA   1   1.538 -12.195 -12.195
    5   3HB   ALA   1          2HB       ALA   1   2.989 -13.210 -13.210
    6    H    THR   2           H        THR   2   3.274  -9.042  -9.042
    7    HA   THR   2           HA       THR   2   1.599  -7.732  -7.732
    8    HB   THR   2           HB       THR   2   2.758  -6.246  -6.246
    9    HG1  THR   2          1HG       THR   2   1.428  -7.531  -7.531
   10   1HG2  THR   2          3HG2      THR   2   0.723  -5.633  -5.633
   11   2HG2  THR   2          1HG2      THR   2  -0.177  -6.757  -6.757
   12   3HG2  THR   2          2HG2      THR   2   0.591  -5.311  -5.311
   13    H    TYR   3           H        TYR   3   2.254  -5.907  -5.907
   14    HA   TYR   3           HA       TYR   3   5.180  -5.738  -5.738
   15   1HB   TYR   3          2HB       TYR   3   2.903  -5.154  -5.154
   16   2HB   TYR   3          1HB       TYR   3   4.609  -5.195  -5.195
   17    HD1  TYR   3           HD2      TYR   3   1.971  -7.426  -7.426
   18    HD2  TYR   3           HD1      TYR   3   5.462  -7.120  -7.120
   19    HE1  TYR   3           HE2      TYR   3   1.782  -9.892  -9.892
   20    HE2  TYR   3           HE1      TYR   3   5.260  -9.587  -9.587
   21    HH   TYR   3           HH       TYR   3   4.310 -11.517 -11.517
   22    H    ASN   4           H        ASN   4   5.947  -3.889  -3.889
   23    HA   ASN   4           HA       ASN   4   4.169  -1.647  -1.647
   24   1HB   ASN   4          2HB       ASN   4   7.016  -2.181  -2.181
   25   2HB   ASN   4          1HB       ASN   4   6.238  -0.625  -0.625
   26   1HD2  ASN   4          2HD2      ASN   4   4.223  -3.803  -3.803
   27   2HD2  ASN   4          1HD2      ASN   4   4.737  -3.825  -3.825
   28    H    GLY   5           H        GLY   5   4.433   0.302   0.302
   29   1HA   GLY   5          1HA       GLY   5   6.840   0.805   0.805
   30   2HA   GLY   5          2HA       GLY   5   5.485   0.317   0.317
   31    H    LYS   6           H        LYS   6   4.806   2.194   2.194
   32    HA   LYS   6           HA       LYS   6   3.853   4.288   4.288
   33   1HB   LYS   6          2HB       LYS   6   5.462   4.992   4.992
   34   2HB   LYS   6          1HB       LYS   6   4.932   6.046   6.046
   35   1HG   LYS   6          2HG       LYS   6   6.456   5.009   5.009
   36   2HG   LYS   6          1HG       LYS   6   6.825   3.704   3.704
   37   1HD   LYS   6          2HD       LYS   6   7.548   5.787   5.787
   38   2HD   LYS   6          1HD       LYS   6   7.791   6.552   6.552
   39   1HE   LYS   6          2HE       LYS   6   8.920   3.936   3.936
   40   2HE   LYS   6          1HE       LYS   6   9.440   4.549   4.549
   41   1HZ   LYS   6          1HZ       LYS   6  10.199   5.452   5.452
   42   2HZ   LYS   6          2HZ       LYS   6  10.973   5.664   5.664
   43    H    CYS   7           H        CYS   7   2.320   5.795   5.795
   44    HA   CYS   7           HA       CYS   7   1.077   4.397   4.397
   45   1HB   CYS   7          2HB       CYS   7  -1.110   5.405   5.405
   46   2HB   CYS   7          1HB       CYS   7  -0.490   3.839   3.839
   47    H    TYR   8           H        TYR   8  -0.598   6.069   6.069
   48    HA   TYR   8           HA       TYR   8   0.496   8.781   8.781
   49   1HB   TYR   8          2HB       TYR   8  -0.107   7.097   7.097
   50   2HB   TYR   8          1HB       TYR   8   0.477   8.749   8.749
   51    HD1  TYR   8           HD2      TYR   8   1.457   5.405   5.405
   52    HD2  TYR   8           HD1      TYR   8   2.751   9.101   9.101
   53    HE1  TYR   8           HE2      TYR   8   3.856   4.563   4.563
   54    HE2  TYR   8           HE1      TYR   8   5.145   8.248   8.248
   55    HH   TYR   8           HH       TYR   8   6.382   6.363   6.363
   56    H    LYS   9           H        LYS   9  -1.022  10.416  10.416
   57    HA   LYS   9           HA       LYS   9  -3.700   9.746   9.746
   58   1HB   LYS   9          2HB       LYS   9  -2.072  12.156  12.156
   59   2HB   LYS   9          1HB       LYS   9  -3.663  12.356  12.356
   60   1HG   LYS   9          2HG       LYS   9  -4.698  11.494  11.494
   61   2HG   LYS   9          1HG       LYS   9  -3.101  11.345  11.345
   62   1HD   LYS   9          2HD       LYS   9  -2.817  13.649  13.649
   63   2HD   LYS   9          1HD       LYS   9  -3.808  14.017  14.017
   64   1HE   LYS   9          2HE       LYS   9  -5.640  12.821  12.821
   65   2HE   LYS   9          1HE       LYS   9  -4.599  13.712  13.712
   66   1HZ   LYS   9          1HZ       LYS   9  -5.685  15.012  15.012
   67   2HZ   LYS   9          2HZ       LYS   9  -6.553  14.964  14.964
   68    H    LYS  10           H        LYS  10  -2.381  11.517  11.517
   69    HA   LYS  10           HA       LYS  10  -4.474  11.259  11.259
   70   1HB   LYS  10          2HB       LYS  10  -2.058  12.268  12.268
   71   2HB   LYS  10          1HB       LYS  10  -1.733  10.750  10.750
   72   1HG   LYS  10          2HG       LYS  10  -2.484  12.152  12.152
   73   2HG   LYS  10          1HG       LYS  10  -3.906  11.205  11.205
   74   1HD   LYS  10          2HD       LYS  10  -4.819  13.357  13.357
   75   2HD   LYS  10          1HD       LYS  10  -4.443  13.190  13.190
   76   1HE   LYS  10          2HE       LYS  10  -3.409  15.228  15.228
   77   2HE   LYS  10          1HE       LYS  10  -2.066  14.192  14.192
   78   1HZ   LYS  10          1HZ       LYS  10  -2.179  14.998  14.998
   79   2HZ   LYS  10          2HZ       LYS  10  -3.732  14.540  14.540
   80    H    ASP  11           H        ASP  11  -1.720   8.905   8.905
   81    HA   ASP  11           HA       ASP  11  -3.094   7.086   7.086
   82   1HB   ASP  11          2HB       ASP  11  -1.046   6.363   6.363
   83   2HB   ASP  11          1HB       ASP  11  -1.376   5.482   5.482
   84    HD2  ASP  11          2HD       ASP  11   0.405   5.716   5.716
   85    H    ASN  12           H        ASN  12  -3.295   7.884   7.884
   86    HA   ASN  12           HA       ASN  12  -4.268   6.964   6.964
   87   1HB   ASN  12          2HB       ASN  12  -6.296   7.754   7.754
   88   2HB   ASN  12          1HB       ASN  12  -6.274   6.493   6.493
   89   1HD2  ASN  12          2HD2      ASN  12  -7.520   5.698   5.698
   90   2HD2  ASN  12          1HD2      ASN  12  -6.447   7.007   7.007
   91    H    ILE  13           H        ILE  13  -2.352   5.214   5.214
   92    HA   ILE  13           HA       ILE  13  -3.650   2.618   2.618
   93    HB   ILE  13           HB       ILE  13  -1.829   1.665   1.665
   94   1HG1  ILE  13          2HG1      ILE  13  -0.816   3.108   3.108
   95   2HG1  ILE  13          3HG1      ILE  13  -1.647   4.512   4.512
   96   1HG2  ILE  13          1HG2      ILE  13  -4.397   2.622   2.622
   97   2HG2  ILE  13          2HG2      ILE  13  -3.392   3.172   3.172
   98   3HG2  ILE  13          3HG2      ILE  13  -3.454   1.443   1.443
   99   1HD1  ILE  13          1HD1      ILE  13   0.122   2.860   2.860
  100   2HD1  ILE  13          2HD1      ILE  13   0.837   4.066   4.066
  101   3HD1  ILE  13          3HD1      ILE  13  -0.338   4.575   4.575
  102    H    CYS  14           H        CYS  14  -1.525   0.983   0.983
  103    HA   CYS  14           HA       CYS  14   0.122   2.374   2.374
  104   1HB   CYS  14          2HB       CYS  14  -1.542   1.379   1.379
  105   2HB   CYS  14          1HB       CYS  14  -1.528  -0.110  -0.110
  106    H    LYS  15           H        LYS  15   2.197   2.146   2.146
  107    HA   LYS  15           HA       LYS  15   2.820  -0.341  -0.341
  108   1HB   LYS  15          2HB       LYS  15   4.098   2.405   2.405
  109   2HB   LYS  15          1HB       LYS  15   4.705   0.979   0.979
  110   1HG   LYS  15          2HG       LYS  15   2.668   0.763   0.763
  111   2HG   LYS  15          1HG       LYS  15   1.845   1.977   1.977
  112   1HD   LYS  15          2HD       LYS  15   2.678   3.655   3.655
  113   2HD   LYS  15          1HD       LYS  15   4.321   3.099   3.099
  114   1HE   LYS  15          2HE       LYS  15   2.372   1.999   1.999
  115   2HE   LYS  15          1HE       LYS  15   3.710   3.081   3.081
  116   1HZ   LYS  15          1HZ       LYS  15   4.585   0.780   0.780
  117   2HZ   LYS  15          2HZ       LYS  15   3.845   0.338   0.338
  118    H    TYR  16           H        TYR  16   4.536  -1.637  -1.637
  119    HA   TYR  16           HA       TYR  16   6.077  -0.695  -0.695
  120   1HB   TYR  16          2HB       TYR  16   5.592  -3.254  -3.254
  121   2HB   TYR  16          1HB       TYR  16   4.448  -1.993  -1.993
  122    HD1  TYR  16           HD1      TYR  16   2.601  -1.531  -1.531
  123    HD2  TYR  16           HD2      TYR  16   4.776  -5.184  -5.184
  124    HE1  TYR  16           HE1      TYR  16   0.775  -2.790  -2.790
  125    HE2  TYR  16           HE2      TYR  16   2.943  -6.431  -6.431
  126    HH   TYR  16           HH       TYR  16  -0.012  -4.765  -4.765
  127    H    LYS  17           H        LYS  17   7.626  -2.821  -2.821
  128    HA   LYS  17           HA       LYS  17   9.051  -3.194  -3.194
  129   1HB   LYS  17          2HB       LYS  17   9.762  -2.934  -2.934
  130   2HB   LYS  17          1HB       LYS  17  10.561  -4.297  -4.297
  131   1HG   LYS  17          2HG       LYS  17  10.487  -1.624  -1.624
  132   2HG   LYS  17          1HG       LYS  17  11.648  -1.885  -1.885
  133   1HD   LYS  17          2HD       LYS  17  12.063  -4.180  -4.180
  134   2HD   LYS  17          1HD       LYS  17  11.491  -3.173  -3.173
  135   1HE   LYS  17          2HE       LYS  17  13.550  -1.966  -1.966
  136   2HE   LYS  17          1HE       LYS  17  14.096  -3.244  -3.244
  137   1HZ   LYS  17          1HZ       LYS  17  12.521  -1.557  -1.557
  138   2HZ   LYS  17          2HZ       LYS  17  13.476  -0.569  -0.569
  139    H    ALA  18           H        ALA  18   6.486  -4.582  -4.582
  140    HA   ALA  18           HA       ALA  18   5.615  -6.648  -6.648
  141   1HB   ALA  18          1HB       ALA  18   6.515  -6.304  -6.304
  142   2HB   ALA  18          2HB       ALA  18   7.909  -7.305  -7.305
  143   3HB   ALA  18          3HB       ALA  18   6.269  -7.999  -7.999
  144    H    GLN  19           H        GLN  19   7.523  -9.067  -9.067
  145    HA   GLN  19           HA       GLN  19   8.669  -9.225  -9.225
  146   1HB   GLN  19          2HB       GLN  19   6.603 -10.878 -10.878
  147   2HB   GLN  19          1HB       GLN  19   8.008 -11.864 -11.864
  148   1HG   GLN  19          2HG       GLN  19   8.020 -10.780 -10.780
  149   2HG   GLN  19          1HG       GLN  19   6.446 -10.118 -10.118
  150   1HE2  GLN  19          2HE2      GLN  19   6.986 -14.062 -14.062
  151   2HE2  GLN  19          1HE2      GLN  19   8.290 -12.938 -12.938
  152    H    SER  20           H        SER  20   9.334  -8.974  -8.974
  153    HA   SER  20           HA       SER  20  11.857 -10.308 -10.308
  154   1HB   SER  20          2HB       SER  20   9.759 -11.415 -11.415
  155   2HB   SER  20          1HB       SER  20  11.042 -10.872 -10.872
  156    HG   SER  20           HG       SER  20  11.541 -12.497 -12.497
  157    H    GLY  21           H        GLY  21  10.535  -7.514  -7.514
  158   1HA   GLY  21          1HA       GLY  21  11.497  -5.561  -5.561
  159   2HA   GLY  21          2HA       GLY  21  12.554  -6.454  -6.454
  160    H    LYS  22           H        LYS  22   9.969  -8.032  -8.032
  161    HA   LYS  22           HA       LYS  22   9.573  -6.832  -6.832
  162   1HB   LYS  22          2HB       LYS  22   8.233  -8.856  -8.856
  163   2HB   LYS  22          1HB       LYS  22   7.099  -7.978  -7.978
  164   1HG   LYS  22          2HG       LYS  22   8.327  -8.508  -8.508
  165   2HG   LYS  22          1HG       LYS  22   9.712  -9.083  -9.083
  166   1HD   LYS  22          2HD       LYS  22   7.032 -10.420 -10.420
  167   2HD   LYS  22          1HD       LYS  22   7.941 -10.800 -10.800
  168   1HE   LYS  22          2HE       LYS  22   9.323 -10.886 -10.886
  169   2HE   LYS  22          1HE       LYS  22   8.315 -12.229 -12.229
  170   1HZ   LYS  22          1HZ       LYS  22  10.680 -11.187 -11.187
  171   2HZ   LYS  22          2HZ       LYS  22  10.549 -12.641 -12.641
  172    H    THR  23           H        THR  23   8.371  -5.827  -5.827
  173    HA   THR  23           HA       THR  23   7.019  -4.172  -4.172
  174    HB   THR  23           HB       THR  23   8.644  -3.118  -3.118
  175    HG1  THR  23          1HG       THR  23   9.670  -2.315  -2.315
  176   1HG2  THR  23          3HG2      THR  23   6.279  -1.731  -1.731
  177   2HG2  THR  23          1HG2      THR  23   7.724  -0.790  -0.790
  178   3HG2  THR  23          2HG2      THR  23   6.809  -1.659  -1.659
  179    H    ALA  24           H        ALA  24   4.907  -4.677  -4.677
  180    HA   ALA  24           HA       ALA  24   3.507  -4.530  -4.530
  181   1HB   ALA  24          3HB       ALA  24   3.364  -6.315  -6.315
  182   2HB   ALA  24          1HB       ALA  24   1.785  -5.767  -5.767
  183   3HB   ALA  24          2HB       ALA  24   2.910  -6.618  -6.618
  184    H    ILE  25           H        ILE  25   1.240  -3.640  -3.640
  185    HA   ILE  25           HA       ILE  25   1.173  -1.476  -1.476
  186    HB   ILE  25           HB       ILE  25  -0.233  -1.386  -1.386
  187   1HG1  ILE  25          2HG1      ILE  25   1.940   0.049   0.049
  188   2HG1  ILE  25          3HG1      ILE  25   2.697  -1.089  -1.089
  189   1HG2  ILE  25          1HG2      ILE  25   0.051   0.347   0.347
  190   2HG2  ILE  25          2HG2      ILE  25   0.820   1.110   1.110
  191   3HG2  ILE  25          3HG2      ILE  25  -0.881   0.591   0.591
  192   1HD1  ILE  25          1HD1      ILE  25   1.051  -2.716  -2.716
  193   2HD1  ILE  25          2HD1      ILE  25   1.714  -1.516  -1.516
  194   3HD1  ILE  25          3HD1      ILE  25   2.813  -2.521  -2.521
  195    H    CYS  26           H        CYS  26  -0.704  -1.158  -1.158
  196    HA   CYS  26           HA       CYS  26  -2.841  -3.085  -3.085
  197   1HB   CYS  26          2HB       CYS  26  -1.540  -3.871  -3.871
  198   2HB   CYS  26          1HB       CYS  26  -1.709  -2.320  -2.320
  199    H    LYS  27           H        LYS  27  -4.309  -1.644  -1.644
  200    HA   LYS  27           HA       LYS  27  -4.595   0.989   0.989
  201   1HB   LYS  27          2HB       LYS  27  -6.986  -0.857  -0.857
  202   2HB   LYS  27          1HB       LYS  27  -6.835   0.766   0.766
  203   1HG   LYS  27          2HG       LYS  27  -6.224  -0.207  -0.207
  204   2HG   LYS  27          1HG       LYS  27  -4.684  -0.546  -0.546
  205   1HD   LYS  27          2HD       LYS  27  -5.408  -2.666  -2.666
  206   2HD   LYS  27          1HD       LYS  27  -5.774  -2.712  -2.712
  207   1HE   LYS  27          2HE       LYS  27  -8.081  -2.570  -2.570
  208   2HE   LYS  27          1HE       LYS  27  -7.922  -1.645  -1.645
  209   1HZ   LYS  27          1HZ       LYS  27  -7.625  -3.550  -3.550
  210   2HZ   LYS  27          2HZ       LYS  27  -6.917  -4.396  -4.396
  211    H    CYS  28           H        CYS  28  -5.574   2.455   2.455
  212    HA   CYS  28           HA       CYS  28  -5.859   1.400   1.400
  213   1HB   CYS  28          2HB       CYS  28  -5.760   4.234   4.234
  214   2HB   CYS  28          1HB       CYS  28  -5.953   3.811   3.811
  215    H    TYR  29           H        TYR  29  -7.862   1.028   1.028
  216    HA   TYR  29           HA       TYR  29 -10.177   2.122   2.122
  217   1HB   TYR  29          2HB       TYR  29 -11.181   0.020   0.020
  218   2HB   TYR  29          1HB       TYR  29  -9.502  -0.477  -0.477
  219    HD1  TYR  29           HD2      TYR  29 -12.278   0.368   0.368
  220    HD2  TYR  29           HD1      TYR  29  -8.345  -1.275  -1.275
  221    HE1  TYR  29           HE2      TYR  29 -12.425  -0.525  -0.525
  222    HE2  TYR  29           HE1      TYR  29  -8.505  -2.163  -2.163
  223    HH   TYR  29           HH       TYR  29  -9.664  -1.773  -1.773
  224    H    VAL  30           H        VAL  30 -11.699   3.325   3.325
  225    HA   VAL  30           HA       VAL  30 -12.614   4.511   4.511
  226    HB   VAL  30           HB       VAL  30 -11.559   2.185   2.185
  227   1HG1  VAL  30          2HG1      VAL  30 -12.504   4.775   4.775
  228   2HG1  VAL  30          3HG1      VAL  30 -13.409   3.381   3.381
  229   3HG1  VAL  30          1HG1      VAL  30 -11.641   3.458   3.458
  230   1HG2  VAL  30          2HG2      VAL  30 -13.650   2.285   2.285
  231   2HG2  VAL  30          3HG2      VAL  30 -13.651   1.296   1.296
  232   3HG2  VAL  30          1HG2      VAL  30 -14.451   2.886   2.886
  233    H    LYS  31           H        LYS  31  -9.769   3.348   3.348
  234    HA   LYS  31           HA       LYS  31  -9.135   6.006   6.006
  235   1HB   LYS  31          2HB       LYS  31  -8.671   3.536   3.536
  236   2HB   LYS  31          1HB       LYS  31  -7.101   3.884   3.884
  237   1HG   LYS  31          2HG       LYS  31  -6.808   5.848   5.848
  238   2HG   LYS  31          1HG       LYS  31  -8.521   5.997   5.997
  239   1HD   LYS  31          2HD       LYS  31  -8.341   3.774   3.774
  240   2HD   LYS  31          1HD       LYS  31  -6.602   3.911   3.911
  241   1HE   LYS  31          2HE       LYS  31  -7.162   4.870   4.870
  242   2HE   LYS  31          1HE       LYS  31  -6.750   6.211   6.211
  243   1HZ   LYS  31          1HZ       LYS  31  -9.341   6.136   6.136
  244   2HZ   LYS  31          2HZ       LYS  31  -9.384   5.447   5.447
  245    H    LYS  32           H        LYS  32  -9.218   6.585   6.585
  246    HA   LYS  32           HA       LYS  32  -7.317   5.902   5.902
  247   1HB   LYS  32          2HB       LYS  32  -8.211   7.573   7.573
  248   2HB   LYS  32          1HB       LYS  32  -9.271   7.831   7.831
  249   1HG   LYS  32          2HG       LYS  32  -7.504   9.393   9.393
  250   2HG   LYS  32          1HG       LYS  32  -6.606   9.228   9.228
  251   1HD   LYS  32          2HD       LYS  32  -8.108  11.275  11.275
  252   2HD   LYS  32          1HD       LYS  32  -8.378  10.248  10.248
  253   1HE   LYS  32          2HE       LYS  32 -10.440   9.461   9.461
  254   2HE   LYS  32          1HE       LYS  32 -10.005   9.686   9.686
  255   1HZ   LYS  32          1HZ       LYS  32 -11.429  11.459  11.459
  256   2HZ   LYS  32          2HZ       LYS  32 -10.007  12.196  12.196
  257    H    CYS  33           H        CYS  33  -5.333   7.195   7.195
  258    HA   CYS  33           HA       CYS  33  -3.487   7.153   7.153
  259   1HB   CYS  33          2HB       CYS  33  -2.826   6.565   6.565
  260   2HB   CYS  33          1HB       CYS  33  -3.270   8.149   8.149
  261    HA   PRO  34           HA       PRO  34  -4.059  11.282  11.282
  262   1HB   PRO  34          2HB       PRO  34  -1.915  11.510  11.510
  263   2HB   PRO  34          1HB       PRO  34  -3.426  10.759  10.759
  264   1HG   PRO  34          2HG       PRO  34  -0.848   9.476   9.476
  265   2HG   PRO  34          1HG       PRO  34  -2.215   8.806   8.806
  266   1HD   PRO  34          2HD       PRO  34  -1.483   8.276   8.276
  267   2HD   PRO  34          1HD       PRO  34  -2.913   7.698   7.698
  268    H    ARG  35           H        ARG  35  -0.994  10.268  10.268
  269    HA   ARG  35           HA       ARG  35  -0.910  12.291  12.291
  270   1HB   ARG  35          2HB       ARG  35   1.106  13.600  13.600
  271   2HB   ARG  35          1HB       ARG  35  -0.535  14.030  14.030
  272   1HG   ARG  35          2HG       ARG  35  -0.392  12.571  12.571
  273   2HG   ARG  35          1HG       ARG  35   1.235  12.097  12.097
  274   1HD   ARG  35          2HD       ARG  35   0.857  14.071  14.071
  275   2HD   ARG  35          1HD       ARG  35   2.154  14.176  14.176
  276    HE   ARG  35           HE       ARG  35  -0.366  15.722  15.722
  277   1HH1  ARG  35          2HH2      ARG  35   2.555  14.802  14.802
  278   2HH1  ARG  35          1HH2      ARG  35   2.456  16.138  16.138
  279    HH2  ARG  35          1HH       ARG  35   0.654  17.703  17.703
  280    H    ASP  36           H        ASP  36   1.004  12.100  12.100
  281    HA   ASP  36           HA       ASP  36   2.066   9.702   9.702
  282   1HB   ASP  36          2HB       ASP  36   2.659  11.146  11.146
  283   2HB   ASP  36          1HB       ASP  36   3.021  12.469  12.469
  284    HD1  ASP  36          2HD       ASP  36   5.153  12.466  12.466
  285    H    GLY  37           H        GLY  37   3.705   8.442   8.442
  286   1HA   GLY  37          1HA       GLY  37   5.715   8.172   8.172
  287   2HA   GLY  37          2HA       GLY  37   5.522   9.756   9.756
  288    H    ALA  38           H        ALA  38   2.581   9.267   9.267
  289    HA   ALA  38           HA       ALA  38   2.659   8.605   8.605
  290   1HB   ALA  38          2HB       ALA  38   0.515   7.935   7.935
  291   2HB   ALA  38          3HB       ALA  38   0.265   7.899   7.899
  292   3HB   ALA  38          1HB       ALA  38   0.661   9.433   9.433
  293    H    LYS  39           H        LYS  39   3.261   6.873   6.873
  294    HA   LYS  39           HA       LYS  39   3.973   4.455   4.455
  295   1HB   LYS  39          2HB       LYS  39   5.257   5.372   5.372
  296   2HB   LYS  39          1HB       LYS  39   3.878   5.171   5.171
  297   1HG   LYS  39          2HG       LYS  39   4.589   2.706   2.706
  298   2HG   LYS  39          1HG       LYS  39   5.862   3.270   3.270
  299   1HD   LYS  39          2HD       LYS  39   3.004   3.087   3.087
  300   2HD   LYS  39          1HD       LYS  39   4.010   1.654   1.654
  301   1HE   LYS  39          2HE       LYS  39   5.153   4.145   4.145
  302   2HE   LYS  39          1HE       LYS  39   3.954   3.235   3.235
  303   1HZ   LYS  39          1HZ       LYS  39   6.515   2.161   2.161
  304   2HZ   LYS  39          2HZ       LYS  39   6.132   2.379   2.379
  305    H    CYS  40           H        CYS  40   3.048   2.347   2.347
  306    HA   CYS  40           HA       CYS  40   0.584   2.123   2.123
  307   1HB   CYS  40          2HB       CYS  40  -0.471   3.089   3.089
  308   2HB   CYS  40          1HB       CYS  40   0.585   2.302   2.302
  309    H    GLU  41           H        GLU  41  -0.209  -0.225  -0.225
  310    HA   GLU  41           HA       GLU  41   1.956  -1.958  -1.958
  311   1HB   GLU  41          2HB       GLU  41   1.009  -3.346  -3.346
  312   2HB   GLU  41          1HB       GLU  41   2.406  -2.291  -2.291
  313   1HG   GLU  41          2HG       GLU  41  -0.421  -1.273  -1.273
  314   2HG   GLU  41          1HG       GLU  41   0.594  -1.906  -1.906
  315    HE2  GLU  41          2HE       GLU  41   1.052   1.789   1.789
  316    H    PHE  42           H        PHE  42   1.290  -3.788  -3.788
  317    HA   PHE  42           HA       PHE  42  -1.593  -3.998  -3.998
  318   1HB   PHE  42          2HB       PHE  42  -0.242  -3.773  -3.773
  319   2HB   PHE  42          1HB       PHE  42   0.958  -4.905  -4.905
  320    HD1  PHE  42          2HD       PHE  42  -2.696  -4.852  -4.852
  321    HD2  PHE  42          1HD       PHE  42   0.951  -7.018  -7.018
  322    HE1  PHE  42          2HE       PHE  42  -3.842  -6.713  -6.713
  323    HE2  PHE  42          1HE       PHE  42  -0.195  -8.880  -8.880
  324    HZ   PHE  42           HZ       PHE  42  -2.578  -8.705  -8.705
  325    H    ASP  43           H        ASP  43  -2.721  -5.578  -5.578
  326    HA   ASP  43           HA       ASP  43  -1.235  -7.622  -7.622
  327   1HB   ASP  43          2HB       ASP  43  -4.250  -7.170  -7.170
  328   2HB   ASP  43          1HB       ASP  43  -3.467  -8.275  -8.275
  329    HD2  ASP  43          2HD       ASP  43  -1.840  -6.201  -6.201
  330    H    SER  44           H        SER  44  -0.757  -9.551  -9.551
  331    HA   SER  44           HA       SER  44  -2.106 -10.149 -10.149
  332   1HB   SER  44          2HB       SER  44   0.342 -10.964 -10.964
  333   2HB   SER  44          1HB       SER  44  -0.503 -12.363 -12.363
  334    HG   SER  44           HG       SER  44  -0.625 -11.136 -11.136
  335    H    TYR  45           H        TYR  45  -3.128 -10.405 -10.405
  336    HA   TYR  45           HA       TYR  45  -3.965 -13.156 -13.156
  337   1HB   TYR  45          2HB       TYR  45  -5.079 -10.859 -10.859
  338   2HB   TYR  45          1HB       TYR  45  -4.740 -12.497 -12.497
  339    HD1  TYR  45           HD1      TYR  45  -1.963 -12.947 -12.947
  340    HD2  TYR  45           HD2      TYR  45  -3.819  -9.395  -9.395
  341    HE1  TYR  45           HE1      TYR  45   0.264 -12.177 -12.177
  342    HE2  TYR  45           HE2      TYR  45  -1.586  -8.637  -8.637
  343    HH   TYR  45           HH       TYR  45   1.266 -10.727 -10.727
  344    H    LYS  46           H        LYS  46  -5.470  -9.909  -9.909
  345    HA   LYS  46           HA       LYS  46  -7.862 -11.335 -11.335
  346   1HB   LYS  46          2HB       LYS  46  -7.821  -8.476  -8.476
  347   2HB   LYS  46          1HB       LYS  46  -9.199  -9.536  -9.536
  348   1HG   LYS  46          2HG       LYS  46  -7.954 -11.064 -11.064
  349   2HG   LYS  46          1HG       LYS  46  -7.109  -9.583  -9.583
  350   1HD   LYS  46          2HD       LYS  46  -9.371  -8.444  -8.444
  351   2HD   LYS  46          1HD       LYS  46 -10.133 -10.004 -10.004
  352   1HE   LYS  46          2HE       LYS  46  -8.773 -10.896 -10.896
  353   2HE   LYS  46          1HE       LYS  46  -8.192  -9.267  -9.267
  354   1HZ   LYS  46          1HZ       LYS  46 -10.290  -8.567  -8.567
  355   2HZ   LYS  46          2HZ       LYS  46 -11.096  -9.711  -9.711
  356    H    GLY  47           H        GLY  47  -5.686  -8.490  -8.490
  357   1HA   GLY  47          1HA       GLY  47  -4.814  -8.229  -8.229
  358   2HA   GLY  47          2HA       GLY  47  -6.399  -8.646  -8.646
  359    H    LYS  48           H        LYS  48  -6.361  -6.717  -6.717
  360    HA   LYS  48           HA       LYS  48  -7.616  -4.561  -4.561
  361   1HB   LYS  48          2HB       LYS  48  -7.105  -5.341  -5.341
  362   2HB   LYS  48          1HB       LYS  48  -7.282  -3.627  -3.627
  363   1HG   LYS  48          2HG       LYS  48  -9.526  -3.852  -3.852
  364   2HG   LYS  48          1HG       LYS  48  -9.317  -5.026  -5.026
  365   1HD   LYS  48          2HD       LYS  48 -10.393  -6.386  -6.386
  366   2HD   LYS  48          1HD       LYS  48  -8.743  -6.662  -6.662
  367   1HE   LYS  48          2HE       LYS  48  -8.957  -4.958  -4.958
  368   2HE   LYS  48          1HE       LYS  48 -10.547  -4.501  -4.501
  369   1HZ   LYS  48          1HZ       LYS  48  -9.830  -6.719  -6.719
  370   2HZ   LYS  48          2HZ       LYS  48 -11.299  -6.058  -6.058
  371    H    CYS  49           H        CYS  49  -6.667  -2.266  -2.266
  372    HA   CYS  49           HA       CYS  49  -3.815  -2.217  -2.217
  373   1HB   CYS  49          2HB       CYS  49  -4.483  -1.615  -1.615
  374   2HB   CYS  49          1HB       CYS  49  -5.883  -0.724  -0.724
  375    H    TYR  50           H        TYR  50  -3.477  -1.816  -1.816
  376    HA   TYR  50           HA       TYR  50  -5.041   0.057   0.057
  377   1HB   TYR  50          2HB       TYR  50  -2.335  -1.365  -1.365
  378   2HB   TYR  50          1HB       TYR  50  -2.896  -0.268  -0.268
  379    HD1  TYR  50           HD2      TYR  50  -5.557  -2.064  -2.064
  380    HD2  TYR  50           HD1      TYR  50  -2.640  -2.332  -2.332
  381    HE1  TYR  50           HE2      TYR  50  -6.871  -3.956  -3.956
  382    HE2  TYR  50           HE1      TYR  50  -3.964  -4.223  -4.223
  383    HH   TYR  50           HH       TYR  50  -5.565  -5.732  -5.732
  384    H    CYS  51           H        CYS  51  -4.938   1.916   1.916
  385    HA   CYS  51           HA       CYS  51  -2.372   3.187   3.187
  386   1HB   CYS  51          2HB       CYS  51  -4.807   4.670   4.670
  387   2HB   CYS  51          1HB       CYS  51  -3.290   4.460   4.460

  Start of MODEL   20
    1    H    ALA   1           H        ALA   1   2.214 -10.231 -10.231
    2    HA   ALA   1           HA       ALA   1   4.848 -10.437 -10.437
    3   1HB   ALA   1          2HB       ALA   1   3.389 -12.619 -12.619
    4   2HB   ALA   1          3HB       ALA   1   4.052 -11.559 -11.559
    5   3HB   ALA   1          1HB       ALA   1   5.134 -12.272 -12.272
    6    H    THR   2           H        THR   2   2.886  -8.461  -8.461
    7    HA   THR   2           HA       THR   2   1.883  -7.413  -7.413
    8    HB   THR   2           HB       THR   2   2.538  -5.674  -5.674
    9    HG1  THR   2          1HG       THR   2   0.770  -6.871  -6.871
   10   1HG2  THR   2          1HG2      THR   2   0.951  -5.079  -5.079
   11   2HG2  THR   2          2HG2      THR   2  -0.160  -6.272  -6.272
   12   3HG2  THR   2          3HG2      THR   2   0.322  -4.834  -4.834
   13    H    TYR   3           H        TYR   3   2.703  -6.102  -6.102
   14    HA   TYR   3           HA       TYR   3   5.558  -5.512  -5.512
   15   1HB   TYR   3          2HB       TYR   3   3.489  -5.632  -5.632
   16   2HB   TYR   3          1HB       TYR   3   5.139  -5.110  -5.110
   17    HD1  TYR   3           HD2      TYR   3   2.970  -7.985  -7.985
   18    HD2  TYR   3           HD1      TYR   3   6.989  -6.707  -6.707
   19    HE1  TYR   3           HE2      TYR   3   3.683 -10.400 -10.400
   20    HE2  TYR   3           HE1      TYR   3   7.688  -9.127  -9.127
   21    HH   TYR   3           HH       TYR   3   6.823 -11.381 -11.381
   22    H    ASN   4           H        ASN   4   6.269  -3.459  -3.459
   23    HA   ASN   4           HA       ASN   4   4.261  -1.393  -1.393
   24   1HB   ASN   4          2HB       ASN   4   7.144  -0.859  -0.859
   25   2HB   ASN   4          1HB       ASN   4   5.688  -0.177  -0.177
   26   1HD2  ASN   4          1HD2      ASN   4   4.236  -2.565  -2.565
   27   2HD2  ASN   4          2HD2      ASN   4   4.961  -3.483  -3.483
   28    H    GLY   5           H        GLY   5   4.703   0.674   0.674
   29   1HA   GLY   5          1HA       GLY   5   6.948   0.911   0.911
   30   2HA   GLY   5          2HA       GLY   5   5.511   0.402   0.402
   31    H    LYS   6           H        LYS   6   4.671   2.164   2.164
   32    HA   LYS   6           HA       LYS   6   3.995   4.453   4.453
   33   1HB   LYS   6          2HB       LYS   6   5.485   4.796   4.796
   34   2HB   LYS   6          1HB       LYS   6   4.950   6.060   6.060
   35   1HG   LYS   6          2HG       LYS   6   6.468   5.257   5.257
   36   2HG   LYS   6          1HG       LYS   6   6.918   3.866   3.866
   37   1HD   LYS   6          2HD       LYS   6   7.531   5.822   5.822
   38   2HD   LYS   6          1HD       LYS   6   7.736   6.740   6.740
   39   1HE   LYS   6          2HE       LYS   6   9.151   4.661   4.661
   40   2HE   LYS   6          1HE       LYS   6   9.222   4.247   4.247
   41   1HZ   LYS   6          1HZ       LYS   6   9.948   6.967   6.967
   42   2HZ   LYS   6          2HZ       LYS   6  11.048   5.766   5.766
   43    H    CYS   7           H        CYS   7   2.371   5.881   5.881
   44    HA   CYS   7           HA       CYS   7   0.942   4.408   4.408
   45   1HB   CYS   7          2HB       CYS   7  -1.195   5.192   5.192
   46   2HB   CYS   7          1HB       CYS   7  -0.346   3.830   3.830
   47    H    TYR   8           H        TYR   8  -0.726   5.971   5.971
   48    HA   TYR   8           HA       TYR   8   0.283   8.729   8.729
   49   1HB   TYR   8          2HB       TYR   8  -0.476   6.942   6.942
   50   2HB   TYR   8          1HB       TYR   8  -0.031   8.631   8.631
   51    HD1  TYR   8           HD2      TYR   8   1.357   5.460   5.460
   52    HD2  TYR   8           HD1      TYR   8   2.153   9.115   9.115
   53    HE1  TYR   8           HE2      TYR   8   3.802   4.802   4.802
   54    HE2  TYR   8           HE1      TYR   8   4.595   8.444   8.444
   55    HH   TYR   8           HH       TYR   8   5.780   5.429   5.429
   56    H    LYS   9           H        LYS   9  -1.281  10.314  10.314
   57    HA   LYS   9           HA       LYS   9  -3.993   9.405   9.405
   58   1HB   LYS   9          2HB       LYS   9  -4.461  11.724  11.724
   59   2HB   LYS   9          1HB       LYS   9  -3.098  11.108  11.108
   60   1HG   LYS   9          2HG       LYS   9  -2.210  13.144  13.144
   61   2HG   LYS   9          1HG       LYS   9  -1.674  12.131  12.131
   62   1HD   LYS   9          2HD       LYS   9  -2.666  13.792  13.792
   63   2HD   LYS   9          1HD       LYS   9  -4.093  12.808  12.808
   64   1HE   LYS   9          2HE       LYS   9  -5.093  14.419  14.419
   65   2HE   LYS   9          1HE       LYS   9  -3.668  14.625  14.625
   66   1HZ   LYS   9          1HZ       LYS   9  -2.802  15.846  15.846
   67   2HZ   LYS   9          2HZ       LYS   9  -4.389  16.057  16.057
   68    H    LYS  10           H        LYS  10  -2.087  11.479  11.479
   69    HA   LYS  10           HA       LYS  10  -4.175  12.146  12.146
   70   1HB   LYS  10          2HB       LYS  10  -1.366  12.462  12.462
   71   2HB   LYS  10          1HB       LYS  10  -1.721  11.750  11.750
   72   1HG   LYS  10          2HG       LYS  10  -3.663  13.555  13.555
   73   2HG   LYS  10          1HG       LYS  10  -2.732  14.363  14.363
   74   1HD   LYS  10          2HD       LYS  10  -0.853  13.587  13.587
   75   2HD   LYS  10          1HD       LYS  10  -2.232  14.248  14.248
   76   1HE   LYS  10          2HE       LYS  10  -1.989  16.377  16.377
   77   2HE   LYS  10          1HE       LYS  10  -1.249  15.763  15.763
   78   1HZ   LYS  10          1HZ       LYS  10   0.810  15.572  15.572
   79   2HZ   LYS  10          2HZ       LYS  10   0.194  15.501  15.501
   80    H    ASP  11           H        ASP  11  -2.498   9.088   9.088
   81    HA   ASP  11           HA       ASP  11  -3.832   8.072   8.072
   82   1HB   ASP  11          2HB       ASP  11  -1.234   7.585   7.585
   83   2HB   ASP  11          1HB       ASP  11  -2.122   6.080   6.080
   84    HD2  ASP  11          2HD       ASP  11  -1.008   5.189   5.189
   85    H    ASN  12           H        ASN  12  -3.872   8.239   8.239
   86    HA   ASN  12           HA       ASN  12  -4.830   7.114   7.114
   87   1HB   ASN  12          2HB       ASN  12  -6.890   7.928   7.928
   88   2HB   ASN  12          1HB       ASN  12  -6.832   6.747   6.747
   89   1HD2  ASN  12          2HD2      ASN  12  -8.054   5.702   5.702
   90   2HD2  ASN  12          1HD2      ASN  12  -7.066   7.092   7.092
   91    H    ILE  13           H        ILE  13  -2.824   5.525   5.525
   92    HA   ILE  13           HA       ILE  13  -3.999   2.858   2.858
   93    HB   ILE  13           HB       ILE  13  -2.246   2.121   2.121
   94   1HG1  ILE  13          2HG1      ILE  13  -1.464   4.194   4.194
   95   2HG1  ILE  13          3HG1      ILE  13  -1.593   5.036   5.036
   96   1HG2  ILE  13          2HG2      ILE  13  -4.722   3.221   3.221
   97   2HG2  ILE  13          3HG2      ILE  13  -3.668   4.084   4.084
   98   3HG2  ILE  13          1HG2      ILE  13  -3.731   2.305   2.305
   99   1HD1  ILE  13          1HD1      ILE  13  -0.291   2.484   2.484
  100   2HD1  ILE  13          2HD1      ILE  13   0.527   3.344   3.344
  101   3HD1  ILE  13          3HD1      ILE  13   0.350   4.123   4.123
  102    H    CYS  14           H        CYS  14  -2.165   1.188   1.188
  103    HA   CYS  14           HA       CYS  14  -0.461   2.453   2.453
  104   1HB   CYS  14          2HB       CYS  14  -2.460   0.406   0.406
  105   2HB   CYS  14          1HB       CYS  14  -0.889  -0.259  -0.259
  106    H    LYS  15           H        LYS  15   1.704   2.167   2.167
  107    HA   LYS  15           HA       LYS  15   2.405  -0.064  -0.064
  108   1HB   LYS  15          2HB       LYS  15   3.261   2.793   2.793
  109   2HB   LYS  15          1HB       LYS  15   4.482   1.603   1.603
  110   1HG   LYS  15          2HG       LYS  15   2.436   0.695   0.695
  111   2HG   LYS  15          1HG       LYS  15   2.025   2.398   2.398
  112   1HD   LYS  15          2HD       LYS  15   4.801   2.419   2.419
  113   2HD   LYS  15          1HD       LYS  15   4.259   1.051   1.051
  114   1HE   LYS  15          2HE       LYS  15   2.333   2.846   2.846
  115   2HE   LYS  15          1HE       LYS  15   3.626   3.968   3.968
  116   1HZ   LYS  15          1HZ       LYS  15   4.644   1.819   1.819
  117   2HZ   LYS  15          2HZ       LYS  15   3.365   2.467   2.467
  118    H    TYR  16           H        TYR  16   4.309  -1.276  -1.276
  119    HA   TYR  16           HA       TYR  16   5.798  -0.657  -0.657
  120   1HB   TYR  16          2HB       TYR  16   5.031  -3.050  -3.050
  121   2HB   TYR  16          1HB       TYR  16   3.969  -1.685  -1.685
  122    HD1  TYR  16           HD2      TYR  16   4.553  -3.858  -3.858
  123    HD2  TYR  16           HD1      TYR  16   1.759  -2.376  -2.376
  124    HE1  TYR  16           HE2      TYR  16   2.665  -5.072  -5.072
  125    HE2  TYR  16           HE1      TYR  16  -0.119  -3.594  -3.594
  126    HH   TYR  16           HH       TYR  16  -0.201  -5.719  -5.719
  127    H    LYS  17           H        LYS  17   7.003  -3.041  -3.041
  128    HA   LYS  17           HA       LYS  17   8.572  -3.427  -3.427
  129   1HB   LYS  17          2HB       LYS  17   8.990  -3.630  -3.630
  130   2HB   LYS  17          1HB       LYS  17   8.957  -5.310  -5.310
  131   1HG   LYS  17          2HG       LYS  17  10.736  -4.987  -4.987
  132   2HG   LYS  17          1HG       LYS  17  10.596  -3.242  -3.242
  133   1HD   LYS  17          2HD       LYS  17  12.464  -3.615  -3.615
  134   2HD   LYS  17          1HD       LYS  17  11.177  -3.543  -3.543
  135   1HE   LYS  17          2HE       LYS  17  11.005  -6.064  -6.064
  136   2HE   LYS  17          1HE       LYS  17  12.357  -6.096  -6.096
  137   1HZ   LYS  17          1HZ       LYS  17  13.780  -5.188  -5.188
  138   2HZ   LYS  17          2HZ       LYS  17  12.545  -4.846  -4.846
  139    H    ALA  18           H        ALA  18   5.653  -4.799  -4.799
  140    HA   ALA  18           HA       ALA  18   4.304  -6.302  -6.302
  141   1HB   ALA  18          3HB       ALA  18   5.658  -5.715  -5.715
  142   2HB   ALA  18          1HB       ALA  18   6.515  -7.244  -7.244
  143   3HB   ALA  18          2HB       ALA  18   4.756  -7.250  -7.250
  144    H    GLN  19           H        GLN  19   4.922  -8.995  -8.995
  145    HA   GLN  19           HA       GLN  19   5.772  -9.964  -9.964
  146   1HB   GLN  19          2HB       GLN  19   3.662 -10.672 -10.672
  147   2HB   GLN  19          1HB       GLN  19   4.832 -11.882 -11.882
  148   1HG   GLN  19          2HG       GLN  19   4.359 -11.328 -11.328
  149   2HG   GLN  19          1HG       GLN  19   3.257 -12.363 -12.363
  150   1HE2  GLN  19          2HE2      GLN  19   5.880 -14.778 -14.778
  151   2HE2  GLN  19          1HE2      GLN  19   4.681 -13.809 -13.809
  152    H    SER  20           H        SER  20   6.258 -10.967 -10.967
  153    HA   SER  20           HA       SER  20   8.257 -12.660 -12.660
  154   1HB   SER  20          2HB       SER  20   7.293 -10.899 -10.899
  155   2HB   SER  20          1HB       SER  20   9.044 -10.903 -10.903
  156    HG   SER  20           HG       SER  20   7.624 -13.388 -13.388
  157    H    GLY  21           H        GLY  21   8.419  -9.146  -9.146
  158   1HA   GLY  21          1HA       GLY  21  10.117  -8.461  -8.461
  159   2HA   GLY  21          2HA       GLY  21  11.271  -9.443  -9.443
  160    H    LYS  22           H        LYS  22   9.540  -8.443  -8.443
  161    HA   LYS  22           HA       LYS  22  11.374  -6.318  -6.318
  162   1HB   LYS  22          2HB       LYS  22   9.291  -7.861  -7.861
  163   2HB   LYS  22          1HB       LYS  22   9.885  -6.347  -6.347
  164   1HG   LYS  22          2HG       LYS  22  11.811  -7.333  -7.333
  165   2HG   LYS  22          1HG       LYS  22  12.151  -7.883  -7.883
  166   1HD   LYS  22          2HD       LYS  22  10.281  -9.717  -9.717
  167   2HD   LYS  22          1HD       LYS  22  10.721  -9.330  -9.330
  168   1HE   LYS  22          2HE       LYS  22  12.119 -11.185 -11.185
  169   2HE   LYS  22          1HE       LYS  22  13.145  -9.770  -9.770
  170   1HZ   LYS  22          1HZ       LYS  22  13.016  -9.481  -9.481
  171   2HZ   LYS  22          2HZ       LYS  22  11.945 -10.697 -10.697
  172    H    THR  23           H        THR  23   8.199  -5.867  -5.867
  173    HA   THR  23           HA       THR  23   7.318  -4.056  -4.056
  174    HB   THR  23           HB       THR  23   8.149  -3.000  -3.000
  175    HG1  THR  23          1HG       THR  23   9.183  -2.802  -2.802
  176   1HG2  THR  23          3HG2      THR  23   6.264  -1.745  -1.745
  177   2HG2  THR  23          1HG2      THR  23   7.327  -1.543  -1.543
  178   3HG2  THR  23          2HG2      THR  23   7.759  -0.789  -0.789
  179    H    ALA  24           H        ALA  24   5.190  -3.030  -3.030
  180    HA   ALA  24           HA       ALA  24   3.757  -3.962  -3.962
  181   1HB   ALA  24          3HB       ALA  24   3.849  -5.734  -5.734
  182   2HB   ALA  24          1HB       ALA  24   2.211  -5.363  -5.363
  183   3HB   ALA  24          2HB       ALA  24   3.406  -6.099  -6.099
  184    H    ILE  25           H        ILE  25   1.458  -3.246  -3.246
  185    HA   ILE  25           HA       ILE  25   1.132  -1.208  -1.208
  186    HB   ILE  25           HB       ILE  25  -0.097  -0.955  -0.955
  187   1HG1  ILE  25          2HG1      ILE  25   2.722  -0.074  -0.074
  188   2HG1  ILE  25          3HG1      ILE  25   2.317  -1.419  -1.419
  189   1HG2  ILE  25          2HG2      ILE  25   0.173   0.654   0.654
  190   2HG2  ILE  25          3HG2      ILE  25   0.753   1.515   1.515
  191   3HG2  ILE  25          1HG2      ILE  25  -0.901   0.860   0.860
  192   1HD1  ILE  25          3HD1      ILE  25   0.918   0.263   0.263
  193   2HD1  ILE  25          1HD1      ILE  25   1.744   1.534   1.534
  194   3HD1  ILE  25          2HD1      ILE  25   2.688   0.425   0.425
  195    H    CYS  26           H        CYS  26  -1.113  -0.785  -0.785
  196    HA   CYS  26           HA       CYS  26  -3.024  -2.802  -2.802
  197   1HB   CYS  26          2HB       CYS  26  -3.498  -3.578  -3.578
  198   2HB   CYS  26          1HB       CYS  26  -1.811  -3.871  -3.871
  199    H    LYS  27           H        LYS  27  -4.469  -1.247  -1.247
  200    HA   LYS  27           HA       LYS  27  -4.818   1.292   1.292
  201   1HB   LYS  27          2HB       LYS  27  -7.167  -0.531  -0.531
  202   2HB   LYS  27          1HB       LYS  27  -7.017   1.176   1.176
  203   1HG   LYS  27          2HG       LYS  27  -6.278   0.553   0.553
  204   2HG   LYS  27          1HG       LYS  27  -4.782   0.078   0.078
  205   1HD   LYS  27          2HD       LYS  27  -5.242  -1.997  -1.997
  206   2HD   LYS  27          1HD       LYS  27  -6.333  -2.136  -2.136
  207   1HE   LYS  27          2HE       LYS  27  -8.233  -1.841  -1.841
  208   2HE   LYS  27          1HE       LYS  27  -7.442  -0.737  -0.737
  209   1HZ   LYS  27          1HZ       LYS  27  -7.162  -2.470  -2.470
  210   2HZ   LYS  27          2HZ       LYS  27  -6.196  -3.216  -3.216
  211    H    CYS  28           H        CYS  28  -5.922   2.511   2.511
  212    HA   CYS  28           HA       CYS  28  -6.328   1.040   1.040
  213   1HB   CYS  28          2HB       CYS  28  -5.941   3.942   3.942
  214   2HB   CYS  28          1HB       CYS  28  -6.608   3.471   3.471
  215    H    TYR  29           H        TYR  29  -8.380   0.500   0.500
  216    HA   TYR  29           HA       TYR  29 -10.608   1.883   1.883
  217   1HB   TYR  29          2HB       TYR  29 -11.692  -0.262  -0.262
  218   2HB   TYR  29          1HB       TYR  29 -10.024  -0.713  -0.713
  219    HD1  TYR  29           HD1      TYR  29  -8.577  -1.372  -1.372
  220    HD2  TYR  29           HD2      TYR  29 -12.837  -1.027  -1.027
  221    HE1  TYR  29           HE1      TYR  29  -8.605  -2.800  -2.800
  222    HE2  TYR  29           HE2      TYR  29 -12.850  -2.455  -2.455
  223    HH   TYR  29           HH       TYR  29  -9.818  -3.497  -3.497
  224    H    VAL  30           H        VAL  30  -8.875   2.065   2.065
  225    HA   VAL  30           HA       VAL  30 -11.293   2.511   2.511
  226    HB   VAL  30           HB       VAL  30  -8.636   1.867   1.867
  227   1HG1  VAL  30          1HG1      VAL  30 -11.273   2.357   2.357
  228   2HG1  VAL  30          2HG1      VAL  30 -10.914   0.642   0.642
  229   3HG1  VAL  30          3HG1      VAL  30  -9.833   1.908   1.908
  230   1HG2  VAL  30          1HG2      VAL  30 -10.348  -0.001  -0.001
  231   2HG2  VAL  30          2HG2      VAL  30  -8.604  -0.061  -0.061
  232   3HG2  VAL  30          3HG2      VAL  30  -9.780  -0.578  -0.578
  233    H    LYS  31           H        LYS  31  -9.206   3.578   3.578
  234    HA   LYS  31           HA       LYS  31  -9.585   6.245   6.245
  235   1HB   LYS  31          2HB       LYS  31  -8.102   4.573   4.573
  236   2HB   LYS  31          1HB       LYS  31  -7.127   5.963   5.963
  237   1HG   LYS  31          2HG       LYS  31  -8.339   7.014   7.014
  238   2HG   LYS  31          1HG       LYS  31  -9.534   7.206   7.206
  239   1HD   LYS  31          2HD       LYS  31  -9.876   4.571   4.571
  240   2HD   LYS  31          1HD       LYS  31  -9.751   5.699   5.699
  241   1HE   LYS  31          2HE       LYS  31 -11.580   6.229   6.229
  242   2HE   LYS  31          1HE       LYS  31 -12.115   5.299   5.299
  243   1HZ   LYS  31          1HZ       LYS  31 -12.640   7.673   7.673
  244   2HZ   LYS  31          2HZ       LYS  31 -11.618   7.212   7.212
  245    H    LYS  32           H        LYS  32  -9.243   6.963   6.963
  246    HA   LYS  32           HA       LYS  32  -7.294   6.360   6.360
  247   1HB   LYS  32          2HB       LYS  32  -7.496   8.814   8.814
  248   2HB   LYS  32          1HB       LYS  32  -8.938   7.819   7.819
  249   1HG   LYS  32          2HG       LYS  32  -8.753   8.943   8.943
  250   2HG   LYS  32          1HG       LYS  32  -8.418  10.248  10.248
  251   1HD   LYS  32          2HD       LYS  32 -10.829  10.156  10.156
  252   2HD   LYS  32          1HD       LYS  32 -10.512   9.681   9.681
  253   1HE   LYS  32          2HE       LYS  32 -10.546   7.240   7.240
  254   2HE   LYS  32          1HE       LYS  32 -11.103   7.826   7.826
  255   1HZ   LYS  32          1HZ       LYS  32 -12.925   8.988   8.988
  256   2HZ   LYS  32          2HZ       LYS  32 -12.515   7.974   7.974
  257    H    CYS  33           H        CYS  33  -5.189   7.230   7.230
  258    HA   CYS  33           HA       CYS  33  -3.453   7.310   7.310
  259   1HB   CYS  33          2HB       CYS  33  -2.519   6.672   6.672
  260   2HB   CYS  33          1HB       CYS  33  -3.229   8.007   8.007
  261    HA   PRO  34           HA       PRO  34  -3.834  11.473  11.473
  262   1HB   PRO  34          2HB       PRO  34  -1.585  11.721  11.721
  263   2HB   PRO  34          1HB       PRO  34  -3.064  10.982  10.982
  264   1HG   PRO  34          2HG       PRO  34  -0.537   9.681   9.681
  265   2HG   PRO  34          1HG       PRO  34  -1.847   9.028   9.028
  266   1HD   PRO  34          2HD       PRO  34  -1.292   8.454   8.454
  267   2HD   PRO  34          1HD       PRO  34  -2.666   7.894   7.894
  268    H    ARG  35           H        ARG  35  -0.722  10.498  10.498
  269    HA   ARG  35           HA       ARG  35  -0.805  12.537  12.537
  270   1HB   ARG  35          2HB       ARG  35   1.161  13.900  13.900
  271   2HB   ARG  35          1HB       ARG  35  -0.282  14.082  14.082
  272   1HG   ARG  35          2HG       ARG  35   0.677  12.183  12.183
  273   2HG   ARG  35          1HG       ARG  35   2.184  12.406  12.406
  274   1HD   ARG  35          2HD       ARG  35   1.129  14.997  14.997
  275   2HD   ARG  35          1HD       ARG  35   1.239  13.914  13.914
  276    HE   ARG  35           HE       ARG  35   3.489  14.918  14.918
  277   1HH1  ARG  35          2HH2      ARG  35   2.430  12.631  12.631
  278   2HH1  ARG  35          1HH2      ARG  35   4.029  12.362  12.362
  279    HH2  ARG  35          1HH       ARG  35   5.877  13.508  13.508
  280    H    ASP  36           H        ASP  36   0.791  12.146  12.146
  281    HA   ASP  36           HA       ASP  36   1.773   9.758   9.758
  282   1HB   ASP  36          2HB       ASP  36   2.239  11.137  11.137
  283   2HB   ASP  36          1HB       ASP  36   2.696  12.487  12.487
  284    HD2  ASP  36          2HD       ASP  36   5.876  11.850  11.850
  285    H    GLY  37           H        GLY  37   3.464   8.435   8.435
  286   1HA   GLY  37          1HA       GLY  37   5.548   8.037   8.037
  287   2HA   GLY  37          2HA       GLY  37   5.589   9.665   9.665
  288    H    ALA  38           H        ALA  38   2.632   9.294   9.294
  289    HA   ALA  38           HA       ALA  38   3.000   8.861   8.861
  290   1HB   ALA  38          2HB       ALA  38   0.645   8.210   8.210
  291   2HB   ALA  38          3HB       ALA  38   0.552   8.115   8.115
  292   3HB   ALA  38          1HB       ALA  38   0.907   9.670   9.670
  293    H    LYS  39           H        LYS  39   3.713   7.207   7.207
  294    HA   LYS  39           HA       LYS  39   4.320   4.714   4.714
  295   1HB   LYS  39          2HB       LYS  39   5.557   5.767   5.767
  296   2HB   LYS  39          1HB       LYS  39   4.175   5.518   5.518
  297   1HG   LYS  39          2HG       LYS  39   4.983   3.060   3.060
  298   2HG   LYS  39          1HG       LYS  39   6.254   3.697   3.697
  299   1HD   LYS  39          2HD       LYS  39   3.400   3.311   3.311
  300   2HD   LYS  39          1HD       LYS  39   4.604   2.042   2.042
  301   1HE   LYS  39          2HE       LYS  39   5.854   3.149   3.149
  302   2HE   LYS  39          1HE       LYS  39   5.411   4.741   4.741
  303   1HZ   LYS  39          1HZ       LYS  39   4.343   3.997   3.997
  304   2HZ   LYS  39          2HZ       LYS  39   3.305   4.575   4.575
  305    H    CYS  40           H        CYS  40   3.401   2.616   2.616
  306    HA   CYS  40           HA       CYS  40   0.858   2.535   2.535
  307   1HB   CYS  40          2HB       CYS  40  -0.098   1.361   1.361
  308   2HB   CYS  40          1HB       CYS  40  -0.226   3.093   3.093
  309    H    GLU  41           H        GLU  41   0.000   0.063   0.063
  310    HA   GLU  41           HA       GLU  41   2.294  -1.679  -1.679
  311   1HB   GLU  41          2HB       GLU  41   0.973  -2.828  -2.828
  312   2HB   GLU  41          1HB       GLU  41   2.456  -1.901  -1.901
  313   1HG   GLU  41          2HG       GLU  41  -0.303  -0.605  -0.605
  314   2HG   GLU  41          1HG       GLU  41   0.547  -1.143  -1.143
  315    HE2  GLU  41          2HE       GLU  41   0.501   1.508   1.508
  316    H    PHE  42           H        PHE  42   1.786  -3.518  -3.518
  317    HA   PHE  42           HA       PHE  42  -1.042  -3.877  -3.877
  318   1HB   PHE  42          2HB       PHE  42   0.416  -3.672  -3.672
  319   2HB   PHE  42          1HB       PHE  42   1.663  -4.655  -4.655
  320    HD1  PHE  42          2HD       PHE  42  -1.696  -4.784  -4.784
  321    HD2  PHE  42          1HD       PHE  42   1.702  -7.002  -7.002
  322    HE1  PHE  42          2HE       PHE  42  -2.572  -6.804  -6.804
  323    HE2  PHE  42          1HE       PHE  42   0.825  -9.021  -9.021
  324    HZ   PHE  42           HZ       PHE  42  -1.301  -8.898  -8.898
  325    H    ASP  43           H        ASP  43  -2.170  -5.746  -5.746
  326    HA   ASP  43           HA       ASP  43  -0.949  -7.415  -7.415
  327   1HB   ASP  43          2HB       ASP  43  -3.668  -7.449  -7.449
  328   2HB   ASP  43          1HB       ASP  43  -3.219  -8.625  -8.625
  329    HD2  ASP  43          2HD       ASP  43  -4.950  -7.399  -7.399
  330    H    SER  44           H        SER  44  -0.081  -9.491  -9.491
  331    HA   SER  44           HA       SER  44   0.035 -10.316 -10.316
  332   1HB   SER  44          2HB       SER  44   1.843 -11.710 -11.710
  333   2HB   SER  44          1HB       SER  44   2.029 -10.269 -10.269
  334    HG   SER  44           HG       SER  44   0.884 -12.799 -12.799
  335    H    TYR  45           H        TYR  45  -2.521 -10.620 -10.620
  336    HA   TYR  45           HA       TYR  45  -3.126 -13.255 -13.255
  337   1HB   TYR  45          2HB       TYR  45  -4.220 -13.540 -13.540
  338   2HB   TYR  45          1HB       TYR  45  -2.489 -13.778 -13.778
  339    HD1  TYR  45           HD2      TYR  45  -5.028 -11.145 -11.145
  340    HD2  TYR  45           HD1      TYR  45  -1.033 -12.561 -12.561
  341    HE1  TYR  45           HE2      TYR  45  -4.644  -9.359  -9.359
  342    HE2  TYR  45           HE1      TYR  45  -0.662 -10.769 -10.769
  343    HH   TYR  45           HH       TYR  45  -3.186  -9.054  -9.054
  344    H    LYS  46           H        LYS  46  -4.022 -10.054 -10.054
  345    HA   LYS  46           HA       LYS  46  -6.830 -10.542 -10.542
  346   1HB   LYS  46          2HB       LYS  46  -5.201  -8.600  -8.600
  347   2HB   LYS  46          1HB       LYS  46  -6.452  -7.822  -7.822
  348   1HG   LYS  46          2HG       LYS  46  -7.907  -9.885  -9.885
  349   2HG   LYS  46          1HG       LYS  46  -6.717  -9.700  -9.700
  350   1HD   LYS  46          2HD       LYS  46  -7.407  -7.516  -7.516
  351   2HD   LYS  46          1HD       LYS  46  -8.037  -7.207  -7.207
  352   1HE   LYS  46          2HE       LYS  46 -10.034  -7.499  -7.499
  353   2HE   LYS  46          1HE       LYS  46  -9.766  -9.138  -9.138
  354   1HZ   LYS  46          1HZ       LYS  46  -9.701  -8.137  -8.137
  355   2HZ   LYS  46          2HZ       LYS  46  -9.858  -9.675  -9.675
  356    H    GLY  47           H        GLY  47  -4.015  -8.991  -8.991
  357   1HA   GLY  47          1HA       GLY  47  -3.731  -8.397  -8.397
  358   2HA   GLY  47          2HA       GLY  47  -5.333  -9.001  -9.001
  359    H    LYS  48           H        LYS  48  -5.189  -6.775  -6.775
  360    HA   LYS  48           HA       LYS  48  -6.336  -4.714  -4.714
  361   1HB   LYS  48          2HB       LYS  48  -6.815  -5.544  -5.544
  362   2HB   LYS  48          1HB       LYS  48  -7.091  -3.873  -3.873
  363   1HG   LYS  48          2HG       LYS  48  -9.179  -4.707  -4.707
  364   2HG   LYS  48          1HG       LYS  48  -8.386  -5.013  -5.013
  365   1HD   LYS  48          2HD       LYS  48  -8.920  -7.204  -7.204
  366   2HD   LYS  48          1HD       LYS  48  -7.734  -7.276  -7.276
  367   1HE   LYS  48          2HE       LYS  48  -9.380  -7.618  -7.618
  368   2HE   LYS  48          1HE       LYS  48 -10.105  -6.078  -6.078
  369   1HZ   LYS  48          1HZ       LYS  48 -10.949  -8.702  -8.702
  370   2HZ   LYS  48          2HZ       LYS  48 -11.786  -7.307  -7.307
  371    H    CYS  49           H        CYS  49  -6.008  -2.433  -2.433
  372    HA   CYS  49           HA       CYS  49  -3.128  -2.310  -2.310
  373   1HB   CYS  49          2HB       CYS  49  -3.860   0.178   0.178
  374   2HB   CYS  49          1HB       CYS  49  -2.800  -1.029  -1.029
  375    H    TYR  50           H        TYR  50  -3.369  -2.193  -2.193
  376    HA   TYR  50           HA       TYR  50  -5.406  -0.691  -0.691
  377   1HB   TYR  50          2HB       TYR  50  -2.740  -2.014  -2.014
  378   2HB   TYR  50          1HB       TYR  50  -3.452  -0.974  -0.974
  379    HD1  TYR  50           HD2      TYR  50  -5.898  -2.636  -2.636
  380    HD2  TYR  50           HD1      TYR  50  -3.397  -3.127  -3.127
  381    HE1  TYR  50           HE2      TYR  50  -7.355  -4.562  -4.562
  382    HE2  TYR  50           HE1      TYR  50  -4.863  -5.051  -5.051
  383    HH   TYR  50           HH       TYR  50  -6.371  -6.661  -6.661
  384    H    CYS  51           H        CYS  51  -4.884   1.250   1.250
  385    HA   CYS  51           HA       CYS  51  -2.636   2.825   2.825
  386   1HB   CYS  51          2HB       CYS  51  -4.987   3.984   3.984
  387   2HB   CYS  51          1HB       CYS  51  -3.276   4.282   4.282

  Start of MODEL   21
    1    H    ALA   1           H        ALA   1   2.396 -12.183 -12.183
    2    HA   ALA   1           HA       ALA   1   4.115 -11.081 -11.081
    3   1HB   ALA   1          1HB       ALA   1   1.729 -12.320 -12.320
    4   2HB   ALA   1          2HB       ALA   1   3.297 -12.004 -12.004
    5   3HB   ALA   1          3HB       ALA   1   3.195 -13.147 -13.147
    6    H    THR   2           H        THR   2   2.915  -8.805  -8.805
    7    HA   THR   2           HA       THR   2   1.607  -7.399  -7.399
    8    HB   THR   2           HB       THR   2   2.706  -6.040  -6.040
    9    HG1  THR   2          1HG       THR   2   0.485  -7.956  -7.956
   10   1HG2  THR   2          1HG2      THR   2   0.824  -5.314  -5.314
   11   2HG2  THR   2          2HG2      THR   2  -0.211  -6.146  -6.146
   12   3HG2  THR   2          3HG2      THR   2   0.781  -4.757  -4.757
   13    H    TYR   3           H        TYR   3   2.422  -5.861  -5.861
   14    HA   TYR   3           HA       TYR   3   5.355  -5.688  -5.688
   15   1HB   TYR   3          2HB       TYR   3   3.284  -5.060  -5.060
   16   2HB   TYR   3          1HB       TYR   3   5.005  -5.289  -5.289
   17    HD1  TYR   3           HD2      TYR   3   1.808  -7.003  -7.003
   18    HD2  TYR   3           HD1      TYR   3   5.969  -7.503  -7.503
   19    HE1  TYR   3           HE2      TYR   3   1.419  -9.469  -9.469
   20    HE2  TYR   3           HE1      TYR   3   5.565  -9.967  -9.967
   21    HH   TYR   3           HH       TYR   3   4.103 -11.544 -11.544
   22    H    ASN   4           H        ASN   4   6.212  -3.795  -3.795
   23    HA   ASN   4           HA       ASN   4   4.505  -1.565  -1.565
   24   1HB   ASN   4          2HB       ASN   4   7.520  -1.336  -1.336
   25   2HB   ASN   4          1HB       ASN   4   6.318  -0.616  -0.616
   26   1HD2  ASN   4          2HD2      ASN   4   5.615  -4.013  -4.013
   27   2HD2  ASN   4          1HD2      ASN   4   4.738  -2.909  -2.909
   28    H    GLY   5           H        GLY   5   5.135   0.668   0.668
   29   1HA   GLY   5          1HA       GLY   5   6.905   1.135   1.135
   30   2HA   GLY   5          2HA       GLY   5   5.483   0.487   0.487
   31    H    LYS   6           H        LYS   6   5.104   2.560   2.560
   32    HA   LYS   6           HA       LYS   6   3.925   4.501   4.501
   33   1HB   LYS   6          2HB       LYS   6   5.614   5.089   5.089
   34   2HB   LYS   6          1HB       LYS   6   4.716   6.289   6.289
   35   1HG   LYS   6          2HG       LYS   6   6.892   6.406   6.406
   36   2HG   LYS   6          1HG       LYS   6   6.002   5.438   5.438
   37   1HD   LYS   6          2HD       LYS   6   7.253   3.568   3.568
   38   2HD   LYS   6          1HD       LYS   6   7.195   3.801   3.801
   39   1HE   LYS   6          2HE       LYS   6   9.001   5.392   5.392
   40   2HE   LYS   6          1HE       LYS   6   9.523   3.990   3.990
   41   1HZ   LYS   6          1HZ       LYS   6   8.635   5.332   5.332
   42   2HZ   LYS   6          2HZ       LYS   6   8.739   6.633   6.633
   43    H    CYS   7           H        CYS   7   2.344   6.010   6.010
   44    HA   CYS   7           HA       CYS   7   1.038   4.494   4.494
   45   1HB   CYS   7          2HB       CYS   7  -1.167   5.255   5.255
   46   2HB   CYS   7          1HB       CYS   7  -0.342   3.851   3.851
   47    H    TYR   8           H        TYR   8  -0.697   6.035   6.035
   48    HA   TYR   8           HA       TYR   8   0.260   8.809   8.809
   49   1HB   TYR   8          2HB       TYR   8  -0.457   7.051   7.051
   50   2HB   TYR   8          1HB       TYR   8   0.012   8.736   8.736
   51    HD1  TYR   8           HD2      TYR   8   1.318   5.488   5.488
   52    HD2  TYR   8           HD1      TYR   8   2.228   9.235   9.235
   53    HE1  TYR   8           HE2      TYR   8   3.758   4.803   4.803
   54    HE2  TYR   8           HE1      TYR   8   4.665   8.537   8.537
   55    HH   TYR   8           HH       TYR   8   6.182   6.905   6.905
   56    H    LYS   9           H        LYS   9  -1.333  10.376  10.376
   57    HA   LYS   9           HA       LYS   9  -4.029   9.410   9.410
   58   1HB   LYS   9          2HB       LYS   9  -4.555  11.694  11.694
   59   2HB   LYS   9          1HB       LYS   9  -3.137  11.158  11.158
   60   1HG   LYS   9          2HG       LYS   9  -1.684  12.288  12.288
   61   2HG   LYS   9          1HG       LYS   9  -3.133  12.891  12.891
   62   1HD   LYS   9          2HD       LYS   9  -2.802  13.418  13.418
   63   2HD   LYS   9          1HD       LYS   9  -1.810  14.341  14.341
   64   1HE   LYS   9          2HE       LYS   9  -4.235  14.585  14.585
   65   2HE   LYS   9          1HE       LYS   9  -4.778  14.415  14.415
   66   1HZ   LYS   9          1HZ       LYS   9  -2.569  16.273  16.273
   67   2HZ   LYS   9          2HZ       LYS   9  -4.031  16.747  16.747
   68    H    LYS  10           H        LYS  10  -2.203  11.607  11.607
   69    HA   LYS  10           HA       LYS  10  -4.268  12.180  12.180
   70   1HB   LYS  10          2HB       LYS  10  -1.509  12.629  12.629
   71   2HB   LYS  10          1HB       LYS  10  -1.741  11.801  11.801
   72   1HG   LYS  10          2HG       LYS  10  -3.414  13.437  13.437
   73   2HG   LYS  10          1HG       LYS  10  -3.442  14.182  14.182
   74   1HD   LYS  10          2HD       LYS  10  -0.703  14.108  14.108
   75   2HD   LYS  10          1HD       LYS  10  -1.746  14.841  14.841
   76   1HE   LYS  10          2HE       LYS  10  -2.602  16.458  16.458
   77   2HE   LYS  10          1HE       LYS  10  -1.697  15.673  15.673
   78   1HZ   LYS  10          1HZ       LYS  10  -0.653  17.298  17.298
   79   2HZ   LYS  10          2HZ       LYS  10  -0.288  17.390  17.390
   80    H    ASP  11           H        ASP  11  -2.385   9.194   9.194
   81    HA   ASP  11           HA       ASP  11  -3.713   8.134   8.134
   82   1HB   ASP  11          2HB       ASP  11  -1.221   7.480   7.480
   83   2HB   ASP  11          1HB       ASP  11  -2.074   6.113   6.113
   84    HD1  ASP  11          2HD       ASP  11  -2.456   7.815   7.815
   85    H    ASN  12           H        ASN  12  -3.718   8.215   8.215
   86    HA   ASN  12           HA       ASN  12  -4.741   7.108   7.108
   87   1HB   ASN  12          2HB       ASN  12  -6.807   7.831   7.831
   88   2HB   ASN  12          1HB       ASN  12  -6.663   6.674   6.674
   89   1HD2  ASN  12          2HD2      ASN  12  -7.969   5.530   5.530
   90   2HD2  ASN  12          1HD2      ASN  12  -7.042   6.971   6.971
   91    H    ILE  13           H        ILE  13  -2.712   5.566   5.566
   92    HA   ILE  13           HA       ILE  13  -3.734   2.879   2.879
   93    HB   ILE  13           HB       ILE  13  -1.980   2.180   2.180
   94   1HG1  ILE  13          2HG1      ILE  13  -1.797   4.160   4.160
   95   2HG1  ILE  13          3HG1      ILE  13  -1.903   5.151   5.151
   96   1HG2  ILE  13          2HG2      ILE  13  -4.620   2.564   2.564
   97   2HG2  ILE  13          3HG2      ILE  13  -4.068   3.741   3.741
   98   3HG2  ILE  13          1HG2      ILE  13  -3.604   2.028   2.028
   99   1HD1  ILE  13          2HD1      ILE  13  -0.043   3.696   3.696
  100   2HD1  ILE  13          3HD1      ILE  13   0.157   2.993   2.993
  101   3HD1  ILE  13          1HD1      ILE  13   0.439   4.732   4.732
  102    H    CYS  14           H        CYS  14  -1.890   1.308   1.308
  103    HA   CYS  14           HA       CYS  14   0.067   2.760   2.760
  104   1HB   CYS  14          2HB       CYS  14  -1.198   1.889   1.889
  105   2HB   CYS  14          1HB       CYS  14  -1.778   0.547   0.547
  106    H    LYS  15           H        LYS  15   2.192   2.210   2.210
  107    HA   LYS  15           HA       LYS  15   2.577  -0.164  -0.164
  108   1HB   LYS  15          2HB       LYS  15   3.997   2.509   2.509
  109   2HB   LYS  15          1HB       LYS  15   4.648   1.092   1.092
  110   1HG   LYS  15          2HG       LYS  15   2.845   0.977   0.977
  111   2HG   LYS  15          1HG       LYS  15   1.796   1.966   1.966
  112   1HD   LYS  15          2HD       LYS  15   2.470   3.801   3.801
  113   2HD   LYS  15          1HD       LYS  15   4.094   3.572   3.572
  114   1HE   LYS  15          2HE       LYS  15   3.183   1.902   1.902
  115   2HE   LYS  15          1HE       LYS  15   3.624   3.576   3.576
  116   1HZ   LYS  15          1HZ       LYS  15   5.490   1.996   1.996
  117   2HZ   LYS  15          2HZ       LYS  15   5.422   1.637   1.637
  118    H    TYR  16           H        TYR  16   4.230  -1.621  -1.621
  119    HA   TYR  16           HA       TYR  16   5.983  -1.008  -1.008
  120   1HB   TYR  16          2HB       TYR  16   5.064  -2.918  -2.918
  121   2HB   TYR  16          1HB       TYR  16   3.806  -1.730  -1.730
  122    HD1  TYR  16           HD2      TYR  16   5.050  -5.079  -5.079
  123    HD2  TYR  16           HD1      TYR  16   1.871  -2.245  -2.245
  124    HE1  TYR  16           HE2      TYR  16   3.563  -6.880  -6.880
  125    HE2  TYR  16           HE1      TYR  16   0.394  -4.056  -4.056
  126    HH   TYR  16           HH       TYR  16   1.633  -7.364  -7.364
  127    H    LYS  17           H        LYS  17   7.456  -2.945  -2.945
  128    HA   LYS  17           HA       LYS  17   8.271  -4.009  -4.009
  129   1HB   LYS  17          2HB       LYS  17   9.447  -3.505  -3.505
  130   2HB   LYS  17          1HB       LYS  17   9.806  -5.140  -5.140
  131   1HG   LYS  17          2HG       LYS  17  10.566  -4.230  -4.230
  132   2HG   LYS  17          1HG       LYS  17  10.289  -2.606  -2.606
  133   1HD   LYS  17          2HD       LYS  17  12.300  -4.640  -4.640
  134   2HD   LYS  17          1HD       LYS  17  12.650  -3.104  -3.104
  135   1HE   LYS  17          2HE       LYS  17  11.267  -2.055  -2.055
  136   2HE   LYS  17          1HE       LYS  17  11.506  -3.604  -3.604
  137   1HZ   LYS  17          1HZ       LYS  17  13.993  -3.144  -3.144
  138   2HZ   LYS  17          2HZ       LYS  17  13.516  -1.588  -1.588
  139    H    ALA  18           H        ALA  18   7.821  -5.987  -5.987
  140    HA   ALA  18           HA       ALA  18   5.886  -7.598  -7.598
  141   1HB   ALA  18          2HB       ALA  18   7.022  -7.274  -7.274
  142   2HB   ALA  18          3HB       ALA  18   7.354  -8.958  -8.958
  143   3HB   ALA  18          1HB       ALA  18   5.681  -8.349  -8.349
  144    H    GLN  19           H        GLN  19   6.103  -9.753  -9.753
  145    HA   GLN  19           HA       GLN  19   7.999 -10.117 -10.117
  146   1HB   GLN  19          2HB       GLN  19   5.857 -11.545 -11.545
  147   2HB   GLN  19          1HB       GLN  19   7.081 -12.574 -12.574
  148   1HG   GLN  19          2HG       GLN  19   6.574 -13.327 -13.327
  149   2HG   GLN  19          1HG       GLN  19   8.233 -12.772 -12.772
  150   1HE2  GLN  19          2HE2      GLN  19   5.448 -10.931 -10.931
  151   2HE2  GLN  19          1HE2      GLN  19   5.084 -12.246 -12.246
  152    H    SER  20           H        SER  20   8.301 -10.648 -10.648
  153    HA   SER  20           HA       SER  20  10.637 -12.216 -12.216
  154   1HB   SER  20          2HB       SER  20   8.862 -11.273 -11.273
  155   2HB   SER  20          1HB       SER  20  10.496 -10.846 -10.846
  156    HG   SER  20           HG       SER  20   9.331 -13.244 -13.244
  157    H    GLY  21           H        GLY  21   9.976  -8.764  -8.764
  158   1HA   GLY  21          1HA       GLY  21  11.812  -7.431  -7.431
  159   2HA   GLY  21          2HA       GLY  21  12.815  -8.141  -8.141
  160    H    LYS  22           H        LYS  22  10.324  -8.097  -8.097
  161    HA   LYS  22           HA       LYS  22  10.980  -5.708  -5.708
  162   1HB   LYS  22          2HB       LYS  22  10.024  -7.832  -7.832
  163   2HB   LYS  22          1HB       LYS  22   8.461  -7.347  -7.347
  164   1HG   LYS  22          2HG       LYS  22   8.250  -6.259  -6.259
  165   2HG   LYS  22          1HG       LYS  22   9.214  -5.016  -5.016
  166   1HD   LYS  22          2HD       LYS  22  11.257  -5.836  -5.836
  167   2HD   LYS  22          1HD       LYS  22  10.503  -7.339  -7.339
  168   1HE   LYS  22          2HE       LYS  22  10.493  -6.132  -6.132
  169   2HE   LYS  22          1HE       LYS  22   8.886  -5.797  -5.797
  170   1HZ   LYS  22          1HZ       LYS  22   9.452  -3.639  -3.639
  171   2HZ   LYS  22          2HZ       LYS  22  11.010  -3.966  -3.966
  172    H    THR  23           H        THR  23   7.659  -5.625  -5.625
  173    HA   THR  23           HA       THR  23   7.120  -4.137  -4.137
  174    HB   THR  23           HB       THR  23   7.618  -2.747  -2.747
  175    HG1  THR  23          1HG       THR  23   8.342  -2.476  -2.476
  176   1HG2  THR  23          3HG2      THR  23   5.392  -2.005  -2.005
  177   2HG2  THR  23          1HG2      THR  23   6.335  -1.528  -1.528
  178   3HG2  THR  23          2HG2      THR  23   6.627  -0.729  -0.729
  179    H    ALA  24           H        ALA  24   4.948  -4.014  -4.014
  180    HA   ALA  24           HA       ALA  24   3.180  -4.887  -4.887
  181   1HB   ALA  24          3HB       ALA  24   3.654  -6.099  -6.099
  182   2HB   ALA  24          1HB       ALA  24   1.975  -6.034  -6.034
  183   3HB   ALA  24          2HB       ALA  24   3.219  -6.876  -6.876
  184    H    ILE  25           H        ILE  25   1.458  -3.545  -3.545
  185    HA   ILE  25           HA       ILE  25   1.133  -1.433  -1.433
  186    HB   ILE  25           HB       ILE  25  -0.298  -1.664  -1.664
  187   1HG1  ILE  25          2HG1      ILE  25   2.508  -0.597  -0.597
  188   2HG1  ILE  25          3HG1      ILE  25   2.088  -2.054  -2.054
  189   1HG2  ILE  25          3HG2      ILE  25   0.504   0.634   0.634
  190   2HG2  ILE  25          1HG2      ILE  25  -0.133   0.838   0.838
  191   3HG2  ILE  25          2HG2      ILE  25  -1.137   0.070   0.070
  192   1HD1  ILE  25          1HD1      ILE  25   0.441  -0.216  -0.216
  193   2HD1  ILE  25          2HD1      ILE  25   1.853   0.789   0.789
  194   3HD1  ILE  25          3HD1      ILE  25   2.057  -0.673  -0.673
  195    H    CYS  26           H        CYS  26  -0.747  -1.082  -1.082
  196    HA   CYS  26           HA       CYS  26  -2.765  -3.188  -3.188
  197   1HB   CYS  26          2HB       CYS  26  -1.577  -3.752  -3.752
  198   2HB   CYS  26          1HB       CYS  26  -1.495  -2.087  -2.087
  199    H    LYS  27           H        LYS  27  -4.351  -2.003  -2.003
  200    HA   LYS  27           HA       LYS  27  -4.815   0.630   0.630
  201   1HB   LYS  27          2HB       LYS  27  -7.056  -1.399  -1.399
  202   2HB   LYS  27          1HB       LYS  27  -7.055   0.146   0.146
  203   1HG   LYS  27          2HG       LYS  27  -4.941  -0.878  -0.878
  204   2HG   LYS  27          1HG       LYS  27  -5.620  -2.408  -2.408
  205   1HD   LYS  27          2HD       LYS  27  -6.497  -1.871  -1.871
  206   2HD   LYS  27          1HD       LYS  27  -7.809  -1.784  -1.784
  207   1HE   LYS  27          2HE       LYS  27  -7.800   0.617   0.617
  208   2HE   LYS  27          1HE       LYS  27  -6.215   0.701   0.701
  209   1HZ   LYS  27          1HZ       LYS  27  -7.360   0.891   0.891
  210   2HZ   LYS  27          2HZ       LYS  27  -7.692  -0.699  -0.699
  211    H    CYS  28           H        CYS  28  -6.011   2.180   2.180
  212    HA   CYS  28           HA       CYS  28  -6.180   1.471   1.471
  213   1HB   CYS  28          2HB       CYS  28  -6.073   4.100   4.100
  214   2HB   CYS  28          1HB       CYS  28  -6.517   4.004   4.004
  215    H    TYR  29           H        TYR  29  -8.161   0.122   0.122
  216    HA   TYR  29           HA       TYR  29 -10.519   1.755   1.755
  217   1HB   TYR  29          2HB       TYR  29 -11.468  -0.406  -0.406
  218   2HB   TYR  29          1HB       TYR  29  -9.823  -0.450  -0.450
  219    HD1  TYR  29           HD1      TYR  29  -8.067  -1.734  -1.734
  220    HD2  TYR  29           HD2      TYR  29 -12.216  -1.930  -1.930
  221    HE1  TYR  29           HE1      TYR  29  -7.647  -3.866  -3.866
  222    HE2  TYR  29           HE2      TYR  29 -11.782  -4.061  -4.061
  223    HH   TYR  29           HH       TYR  29  -8.632  -5.089  -5.089
  224    H    VAL  30           H        VAL  30  -9.295   2.122   2.122
  225    HA   VAL  30           HA       VAL  30 -11.539   1.414   1.414
  226    HB   VAL  30           HB       VAL  30  -9.687   0.486   0.486
  227   1HG1  VAL  30          2HG1      VAL  30 -11.902  -0.508  -0.508
  228   2HG1  VAL  30          3HG1      VAL  30 -10.639  -1.636  -1.636
  229   3HG1  VAL  30          1HG1      VAL  30 -10.925  -1.396  -1.396
  230   1HG2  VAL  30          2HG2      VAL  30  -8.125   0.637   0.637
  231   2HG2  VAL  30          3HG2      VAL  30  -7.892  -0.564  -0.564
  232   3HG2  VAL  30          1HG2      VAL  30  -8.767  -1.013  -1.013
  233    H    LYS  31           H        LYS  31  -8.064   2.130   2.130
  234    HA   LYS  31           HA       LYS  31  -9.006   4.648   4.648
  235   1HB   LYS  31          2HB       LYS  31  -7.173   2.571   2.571
  236   2HB   LYS  31          1HB       LYS  31  -6.402   4.144   4.144
  237   1HG   LYS  31          2HG       LYS  31  -9.198   3.956   3.956
  238   2HG   LYS  31          1HG       LYS  31  -7.893   3.295   3.295
  239   1HD   LYS  31          2HD       LYS  31  -6.780   5.699   5.699
  240   2HD   LYS  31          1HD       LYS  31  -8.476   6.141   6.141
  241   1HE   LYS  31          2HE       LYS  31  -7.836   6.544   6.544
  242   2HE   LYS  31          1HE       LYS  31  -8.568   4.955   4.955
  243   1HZ   LYS  31          1HZ       LYS  31  -6.209   5.358   5.358
  244   2HZ   LYS  31          2HZ       LYS  31  -6.504   3.951   3.951
  245    H    LYS  32           H        LYS  32  -9.055   5.821   5.821
  246    HA   LYS  32           HA       LYS  32  -7.273   5.890   5.890
  247   1HB   LYS  32          2HB       LYS  32  -8.345   7.763   7.763
  248   2HB   LYS  32          1HB       LYS  32  -9.386   7.420   7.420
  249   1HG   LYS  32          2HG       LYS  32  -7.655   8.796   8.796
  250   2HG   LYS  32          1HG       LYS  32  -7.056   9.369   9.369
  251   1HD   LYS  32          2HD       LYS  32  -8.774  10.903  10.903
  252   2HD   LYS  32          1HD       LYS  32  -9.246  10.296  10.296
  253   1HE   LYS  32          2HE       LYS  32 -10.863   8.811   8.811
  254   2HE   LYS  32          1HE       LYS  32 -10.115   8.799   8.799
  255   1HZ   LYS  32          1HZ       LYS  32 -11.717  10.320  10.320
  256   2HZ   LYS  32          2HZ       LYS  32 -10.748  11.402  11.402
  257    H    CYS  33           H        CYS  33  -5.391   7.265   7.265
  258    HA   CYS  33           HA       CYS  33  -3.521   7.157   7.157
  259   1HB   CYS  33          2HB       CYS  33  -2.757   6.513   6.513
  260   2HB   CYS  33          1HB       CYS  33  -3.322   8.002   8.002
  261    HA   PRO  34           HA       PRO  34  -4.122  11.314  11.314
  262   1HB   PRO  34          2HB       PRO  34  -1.931  11.651  11.651
  263   2HB   PRO  34          1HB       PRO  34  -3.404  10.874  10.874
  264   1HG   PRO  34          2HG       PRO  34  -0.814   9.642   9.642
  265   2HG   PRO  34          1HG       PRO  34  -2.133   8.962   8.962
  266   1HD   PRO  34          2HD       PRO  34  -1.475   8.369   8.369
  267   2HD   PRO  34          1HD       PRO  34  -2.860   7.779   7.779
  268    H    ARG  35           H        ARG  35  -1.075  10.344  10.344
  269    HA   ARG  35           HA       ARG  35  -1.117  12.346  12.346
  270   1HB   ARG  35          2HB       ARG  35   0.902  13.717  13.717
  271   2HB   ARG  35          1HB       ARG  35  -0.697  14.076  14.076
  272   1HG   ARG  35          2HG       ARG  35  -0.238  12.452  12.452
  273   2HG   ARG  35          1HG       ARG  35   1.408  12.309  12.309
  274   1HD   ARG  35          2HD       ARG  35   0.045  14.868  14.868
  275   2HD   ARG  35          1HD       ARG  35   1.320  13.995  13.995
  276    HE   ARG  35           HE       ARG  35   2.238  14.648  14.648
  277   1HH1  ARG  35          2HH2      ARG  35   1.462  16.249  16.249
  278   2HH1  ARG  35          1HH2      ARG  35   2.559  17.563  17.563
  279    HH2  ARG  35          1HH       ARG  35   3.856  17.619  17.619
  280    H    ASP  36           H        ASP  36   0.775  12.210  12.210
  281    HA   ASP  36           HA       ASP  36   1.827   9.791   9.791
  282   1HB   ASP  36          2HB       ASP  36   2.335  11.169  11.169
  283   2HB   ASP  36          1HB       ASP  36   2.653  12.555  12.555
  284    HD2  ASP  36          2HD       ASP  36   4.571  11.454  11.454
  285    H    GLY  37           H        GLY  37   3.502   8.562   8.562
  286   1HA   GLY  37          1HA       GLY  37   5.579   8.328   8.328
  287   2HA   GLY  37          2HA       GLY  37   5.430   9.936   9.936
  288    H    ALA  38           H        ALA  38   2.511   9.435   9.435
  289    HA   ALA  38           HA       ALA  38   2.736   8.882   8.882
  290   1HB   ALA  38          2HB       ALA  38   0.505   8.162   8.162
  291   2HB   ALA  38          3HB       ALA  38   0.333   8.094   8.094
  292   3HB   ALA  38          1HB       ALA  38   0.668   9.647   9.647
  293    H    LYS  39           H        LYS  39   3.470   7.211   7.211
  294    HA   LYS  39           HA       LYS  39   4.153   4.761   4.761
  295   1HB   LYS  39          2HB       LYS  39   5.393   5.855   5.855
  296   2HB   LYS  39          1HB       LYS  39   4.068   5.443   5.443
  297   1HG   LYS  39          2HG       LYS  39   4.806   3.074   3.074
  298   2HG   LYS  39          1HG       LYS  39   6.261   3.778   3.778
  299   1HD   LYS  39          2HD       LYS  39   3.753   3.335   3.335
  300   2HD   LYS  39          1HD       LYS  39   4.976   2.094   2.094
  301   1HE   LYS  39          2HE       LYS  39   5.820   3.115   3.115
  302   2HE   LYS  39          1HE       LYS  39   6.625   4.107   4.107
  303   1HZ   LYS  39          1HZ       LYS  39   4.759   4.945   4.945
  304   2HZ   LYS  39          2HZ       LYS  39   5.511   5.867   5.867
  305    H    CYS  40           H        CYS  40   3.270   2.651   2.651
  306    HA   CYS  40           HA       CYS  40   0.923   2.328   2.328
  307   1HB   CYS  40          2HB       CYS  40  -0.247   3.457   3.457
  308   2HB   CYS  40          1HB       CYS  40   0.620   2.617   2.617
  309    H    GLU  41           H        GLU  41   0.127  -0.012  -0.012
  310    HA   GLU  41           HA       GLU  41   2.259  -1.645  -1.645
  311   1HB   GLU  41          2HB       GLU  41   1.594  -3.274  -3.274
  312   2HB   GLU  41          1HB       GLU  41   2.687  -1.941  -1.941
  313   1HG   GLU  41          2HG       GLU  41   0.614  -0.558  -0.558
  314   2HG   GLU  41          1HG       GLU  41  -0.301  -2.051  -2.051
  315    HE2  GLU  41          2HE       GLU  41   0.425  -3.691  -3.691
  316    H    PHE  42           H        PHE  42   1.596  -3.660  -3.660
  317    HA   PHE  42           HA       PHE  42  -1.263  -3.692  -3.692
  318   1HB   PHE  42          2HB       PHE  42   0.329  -3.559  -3.559
  319   2HB   PHE  42          1HB       PHE  42   1.281  -4.878  -4.878
  320    HD1  PHE  42          2HD       PHE  42  -2.382  -4.473  -4.473
  321    HD2  PHE  42          1HD       PHE  42   1.150  -6.698  -6.698
  322    HE1  PHE  42          2HE       PHE  42  -3.708  -6.107  -6.107
  323    HE2  PHE  42          1HE       PHE  42  -0.177  -8.331  -8.331
  324    HZ   PHE  42           HZ       PHE  42  -2.590  -8.016  -8.016
  325    H    ASP  43           H        ASP  43  -2.442  -5.045  -5.045
  326    HA   ASP  43           HA       ASP  43  -1.195  -7.145  -7.145
  327   1HB   ASP  43          2HB       ASP  43  -3.730  -7.759  -7.759
  328   2HB   ASP  43          1HB       ASP  43  -3.067  -6.302  -6.302
  329    HD2  ASP  43          2HD       ASP  43  -5.971  -6.777  -6.777
  330    H    SER  44           H        SER  44  -0.878  -9.261  -9.261
  331    HA   SER  44           HA       SER  44  -1.967  -9.904  -9.904
  332   1HB   SER  44          2HB       SER  44  -0.198 -11.352 -11.352
  333   2HB   SER  44          1HB       SER  44   0.482 -10.349 -10.349
  334    HG   SER  44           HG       SER  44   0.310 -12.886 -12.886
  335    H    TYR  45           H        TYR  45  -3.465  -9.820  -9.820
  336    HA   TYR  45           HA       TYR  45  -4.321 -12.602 -12.602
  337   1HB   TYR  45          2HB       TYR  45  -5.401 -10.219 -10.219
  338   2HB   TYR  45          1HB       TYR  45  -5.174 -11.862 -11.862
  339    HD1  TYR  45           HD1      TYR  45  -2.433 -12.526 -12.526
  340    HD2  TYR  45           HD2      TYR  45  -4.097  -8.732  -8.732
  341    HE1  TYR  45           HE1      TYR  45  -0.225 -11.850 -11.850
  342    HE2  TYR  45           HE2      TYR  45  -1.884  -8.068  -8.068
  343    HH   TYR  45           HH       TYR  45   0.698 -10.390 -10.390
  344    H    LYS  46           H        LYS  46  -5.382  -9.390  -9.390
  345    HA   LYS  46           HA       LYS  46  -7.846 -10.666 -10.666
  346   1HB   LYS  46          2HB       LYS  46  -7.887  -7.801  -7.801
  347   2HB   LYS  46          1HB       LYS  46  -9.206  -8.944  -8.944
  348   1HG   LYS  46          2HG       LYS  46  -7.794 -10.253 -10.253
  349   2HG   LYS  46          1HG       LYS  46  -7.184  -8.642  -8.642
  350   1HD   LYS  46          2HD       LYS  46  -9.187  -7.907  -7.907
  351   2HD   LYS  46          1HD       LYS  46 -10.131  -8.746  -8.746
  352   1HE   LYS  46          2HE       LYS  46 -10.709  -9.981  -9.981
  353   2HE   LYS  46          1HE       LYS  46  -9.358 -10.931 -10.931
  354   1HZ   LYS  46          1HZ       LYS  46  -8.580 -10.584 -10.584
  355   2HZ   LYS  46          2HZ       LYS  46  -8.108  -9.121  -9.121
  356    H    GLY  47           H        GLY  47  -5.492  -7.937  -7.937
  357   1HA   GLY  47          1HA       GLY  47  -4.415  -7.639  -7.639
  358   2HA   GLY  47          2HA       GLY  47  -5.919  -8.056  -8.056
  359    H    LYS  48           H        LYS  48  -5.999  -6.060  -6.060
  360    HA   LYS  48           HA       LYS  48  -7.053  -3.883  -3.883
  361   1HB   LYS  48          2HB       LYS  48  -7.644  -4.973  -4.973
  362   2HB   LYS  48          1HB       LYS  48  -6.951  -3.398  -3.398
  363   1HG   LYS  48          2HG       LYS  48  -8.939  -2.466  -2.466
  364   2HG   LYS  48          1HG       LYS  48  -8.659  -2.968  -2.968
  365   1HD   LYS  48          2HD       LYS  48 -10.618  -4.133  -4.133
  366   2HD   LYS  48          1HD       LYS  48  -9.551  -5.335  -5.335
  367   1HE   LYS  48          2HE       LYS  48 -11.283  -3.295  -3.295
  368   2HE   LYS  48          1HE       LYS  48 -11.279  -5.038  -5.038
  369   1HZ   LYS  48          1HZ       LYS  48 -10.083  -3.692  -3.692
  370   2HZ   LYS  48          2HZ       LYS  48  -9.244  -4.948  -4.948
  371    H    CYS  49           H        CYS  49  -6.377  -1.577  -1.577
  372    HA   CYS  49           HA       CYS  49  -3.450  -1.626  -1.626
  373   1HB   CYS  49          2HB       CYS  49  -3.682  -0.696  -0.696
  374   2HB   CYS  49          1HB       CYS  49  -5.281  -0.059  -0.059
  375    H    TYR  50           H        TYR  50  -3.416  -1.517  -1.517
  376    HA   TYR  50           HA       TYR  50  -5.091   0.211   0.211
  377   1HB   TYR  50          2HB       TYR  50  -2.516  -1.388  -1.388
  378   2HB   TYR  50          1HB       TYR  50  -2.940  -0.264  -0.264
  379    HD1  TYR  50           HD2      TYR  50  -5.754  -1.752  -1.752
  380    HD2  TYR  50           HD1      TYR  50  -2.981  -2.310  -2.310
  381    HE1  TYR  50           HE2      TYR  50  -7.288  -3.497  -3.497
  382    HE2  TYR  50           HE1      TYR  50  -4.524  -4.054  -4.054
  383    HH   TYR  50           HH       TYR  50  -7.735  -4.573  -4.573
  384    H    CYS  51           H        CYS  51  -4.663   2.116   2.116
  385    HA   CYS  51           HA       CYS  51  -2.163   3.429   3.429
  386   1HB   CYS  51          2HB       CYS  51  -4.610   4.878   4.878
  387   2HB   CYS  51          1HB       CYS  51  -2.961   4.985   4.985

  Start of MODEL   22
    1    H    ALA   1           H        ALA   1   3.061 -11.243 -11.243
    2    HA   ALA   1           HA       ALA   1   4.500 -10.526 -10.526
    3   1HB   ALA   1          2HB       ALA   1   3.031 -12.727 -12.727
    4   2HB   ALA   1          3HB       ALA   1   2.757 -11.689 -11.689
    5   3HB   ALA   1          1HB       ALA   1   4.416 -12.120 -12.120
    6    H    THR   2           H        THR   2   2.783  -8.376  -8.376
    7    HA   THR   2           HA       THR   2   1.675  -7.269  -7.269
    8    HB   THR   2           HB       THR   2   2.259  -5.639  -5.639
    9    HG1  THR   2          1HG       THR   2   0.719  -6.937  -6.937
   10   1HG2  THR   2          3HG2      THR   2   0.572  -5.290  -5.290
   11   2HG2  THR   2          1HG2      THR   2  -0.509  -6.124  -6.124
   12   3HG2  THR   2          2HG2      THR   2   0.269  -4.594  -4.594
   13    H    TYR   3           H        TYR   3   2.658  -6.151  -6.151
   14    HA   TYR   3           HA       TYR   3   5.465  -5.518  -5.518
   15   1HB   TYR   3          2HB       TYR   3   3.519  -5.216  -5.216
   16   2HB   TYR   3          1HB       TYR   3   5.266  -5.134  -5.134
   17    HD1  TYR   3           HD2      TYR   3   2.407  -7.406  -7.406
   18    HD2  TYR   3           HD1      TYR   3   6.601  -7.120  -7.120
   19    HE1  TYR   3           HE2      TYR   3   2.503  -9.910  -9.910
   20    HE2  TYR   3           HE1      TYR   3   6.684  -9.624  -9.624
   21    HH   TYR   3           HH       TYR   3   4.030 -11.436 -11.436
   22    H    ASN   4           H        ASN   4   6.213  -3.512  -3.512
   23    HA   ASN   4           HA       ASN   4   4.295  -1.412  -1.412
   24   1HB   ASN   4          2HB       ASN   4   7.291  -1.603  -1.603
   25   2HB   ASN   4          1HB       ASN   4   6.403  -0.105  -0.105
   26   1HD2  ASN   4          2HD2      ASN   4   4.864  -3.205  -3.205
   27   2HD2  ASN   4          1HD2      ASN   4   5.082  -3.319  -3.319
   28    H    GLY   5           H        GLY   5   4.893   0.836   0.836
   29   1HA   GLY   5          1HA       GLY   5   6.765   1.204   1.204
   30   2HA   GLY   5          2HA       GLY   5   5.306   0.616   0.616
   31    H    LYS   6           H        LYS   6   4.643   2.519   2.519
   32    HA   LYS   6           HA       LYS   6   3.649   4.572   4.572
   33   1HB   LYS   6          2HB       LYS   6   5.133   5.423   5.423
   34   2HB   LYS   6          1HB       LYS   6   4.705   6.364   6.364
   35   1HG   LYS   6          2HG       LYS   6   6.952   5.987   5.987
   36   2HG   LYS   6          1HG       LYS   6   6.257   4.597   4.597
   37   1HD   LYS   6          2HD       LYS   6   6.912   3.097   3.097
   38   2HD   LYS   6          1HD       LYS   6   6.996   4.352   4.352
   39   1HE   LYS   6          2HE       LYS   6   9.269   4.074   4.074
   40   2HE   LYS   6          1HE       LYS   6   8.934   5.315   5.315
   41   1HZ   LYS   6          1HZ       LYS   6   8.436   2.679   2.679
   42   2HZ   LYS   6          2HZ       LYS   6   9.984   2.855   2.855
   43    H    CYS   7           H        CYS   7   2.197   6.159   6.159
   44    HA   CYS   7           HA       CYS   7   0.930   4.682   4.682
   45   1HB   CYS   7          2HB       CYS   7  -1.285   5.600   5.600
   46   2HB   CYS   7          1HB       CYS   7  -0.593   4.101   4.101
   47    H    TYR   8           H        TYR   8  -0.287   6.145   6.145
   48    HA   TYR   8           HA       TYR   8   0.671   8.917   8.917
   49   1HB   TYR   8          2HB       TYR   8  -0.049   7.073   7.073
   50   2HB   TYR   8          1HB       TYR   8   0.371   8.762   8.762
   51    HD1  TYR   8           HD1      TYR   8   2.688   9.239   9.239
   52    HD2  TYR   8           HD2      TYR   8   1.649   5.699   5.699
   53    HE1  TYR   8           HE1      TYR   8   5.145   8.603   8.603
   54    HE2  TYR   8           HE2      TYR   8   4.110   5.074   5.074
   55    HH   TYR   8           HH       TYR   8   6.592   7.304   7.304
   56    H    LYS   9           H        LYS   9  -0.811  10.568  10.568
   57    HA   LYS   9           HA       LYS   9  -3.497   9.985   9.985
   58   1HB   LYS   9          2HB       LYS   9  -1.781  12.273  12.273
   59   2HB   LYS   9          1HB       LYS   9  -3.204  12.660  12.660
   60   1HG   LYS   9          2HG       LYS   9  -4.583  11.643  11.643
   61   2HG   LYS   9          1HG       LYS   9  -3.097  11.690  11.690
   62   1HD   LYS   9          2HD       LYS   9  -3.043  14.025  14.025
   63   2HD   LYS   9          1HD       LYS   9  -3.880  14.207  14.207
   64   1HE   LYS   9          2HE       LYS   9  -6.016  13.826  13.826
   65   2HE   LYS   9          1HE       LYS   9  -5.348  13.007  13.007
   66   1HZ   LYS   9          1HZ       LYS   9  -6.111  15.446  15.446
   67   2HZ   LYS   9          2HZ       LYS   9  -4.695  15.032  15.032
   68    H    LYS  10           H        LYS  10  -2.129  11.747  11.747
   69    HA   LYS  10           HA       LYS  10  -4.294  11.686  11.686
   70   1HB   LYS  10          2HB       LYS  10  -1.831  12.561  12.561
   71   2HB   LYS  10          1HB       LYS  10  -1.619  11.053  11.053
   72   1HG   LYS  10          2HG       LYS  10  -3.710  11.638  11.638
   73   2HG   LYS  10          1HG       LYS  10  -3.697  13.212  13.212
   74   1HD   LYS  10          2HD       LYS  10  -2.480  13.671  13.671
   75   2HD   LYS  10          1HD       LYS  10  -1.181  13.312  13.312
   76   1HE   LYS  10          2HE       LYS  10  -0.522  11.872  11.872
   77   2HE   LYS  10          1HE       LYS  10  -1.653  10.788  10.788
   78   1HZ   LYS  10          1HZ       LYS  10  -3.045  12.459  12.459
   79   2HZ   LYS  10          2HZ       LYS  10  -1.813  11.739  11.739
   80    H    ASP  11           H        ASP  11  -1.693   9.202   9.202
   81    HA   ASP  11           HA       ASP  11  -3.238   7.513   7.513
   82   1HB   ASP  11          2HB       ASP  11  -0.717   7.417   7.417
   83   2HB   ASP  11          1HB       ASP  11  -1.102   6.644   6.644
   84    HD2  ASP  11          2HD       ASP  11   0.238   5.021   5.021
   85    H    ASN  12           H        ASN  12  -3.303   8.247   8.247
   86    HA   ASN  12           HA       ASN  12  -4.234   7.324   7.324
   87   1HB   ASN  12          2HB       ASN  12  -6.310   8.127   8.127
   88   2HB   ASN  12          1HB       ASN  12  -6.286   7.123   7.123
   89   1HD2  ASN  12          2HD2      ASN  12  -7.446   5.533   5.533
   90   2HD2  ASN  12          1HD2      ASN  12  -6.335   6.858   6.858
   91    H    ILE  13           H        ILE  13  -2.413   5.528   5.528
   92    HA   ILE  13           HA       ILE  13  -3.786   2.960   2.960
   93    HB   ILE  13           HB       ILE  13  -1.983   1.971   1.971
   94   1HG1  ILE  13          2HG1      ILE  13  -0.821   3.525   3.525
   95   2HG1  ILE  13          3HG1      ILE  13  -1.387   4.877   4.877
   96   1HG2  ILE  13          2HG2      ILE  13  -4.398   3.108   3.108
   97   2HG2  ILE  13          3HG2      ILE  13  -3.270   3.796   3.796
   98   3HG2  ILE  13          1HG2      ILE  13  -3.411   2.030   2.030
   99   1HD1  ILE  13          3HD1      ILE  13   0.000   2.652   2.652
  100   2HD1  ILE  13          1HD1      ILE  13   0.998   3.717   3.717
  101   3HD1  ILE  13          2HD1      ILE  13   0.029   4.405   4.405
  102    H    CYS  14           H        CYS  14  -1.691   1.273   1.273
  103    HA   CYS  14           HA       CYS  14  -0.289   2.550   2.550
  104   1HB   CYS  14          2HB       CYS  14  -1.722   1.251   1.251
  105   2HB   CYS  14          1HB       CYS  14  -1.915   0.067   0.067
  106    H    LYS  15           H        LYS  15   1.777   2.779   2.779
  107    HA   LYS  15           HA       LYS  15   2.815   0.620   0.620
  108   1HB   LYS  15          2HB       LYS  15   2.926   3.148   3.148
  109   2HB   LYS  15          1HB       LYS  15   4.215   3.217   3.217
  110   1HG   LYS  15          2HG       LYS  15   4.292   1.087   1.087
  111   2HG   LYS  15          1HG       LYS  15   4.771   2.725   2.725
  112   1HD   LYS  15          2HD       LYS  15   5.988   1.867   1.867
  113   2HD   LYS  15          1HD       LYS  15   6.367   0.740   0.740
  114   1HE   LYS  15          2HE       LYS  15   6.901   2.926   2.926
  115   2HE   LYS  15          1HE       LYS  15   7.003   3.701   3.701
  116   1HZ   LYS  15          1HZ       LYS  15   8.469   1.391   1.391
  117   2HZ   LYS  15          2HZ       LYS  15   8.870   1.915   1.915
  118    H    TYR  16           H        TYR  16   4.230  -0.890  -0.890
  119    HA   TYR  16           HA       TYR  16   5.933  -0.302  -0.302
  120   1HB   TYR  16          2HB       TYR  16   4.934  -2.210  -2.210
  121   2HB   TYR  16          1HB       TYR  16   3.750  -0.945  -0.945
  122    HD1  TYR  16           HD1      TYR  16   2.330  -1.272  -1.272
  123    HD2  TYR  16           HD2      TYR  16   4.250  -4.398  -4.398
  124    HE1  TYR  16           HE1      TYR  16   0.747  -2.976  -2.976
  125    HE2  TYR  16           HE2      TYR  16   2.661  -6.092  -6.092
  126    HH   TYR  16           HH       TYR  16   0.558  -5.228  -5.228
  127    H    LYS  17           H        LYS  17   7.119  -2.514  -2.514
  128    HA   LYS  17           HA       LYS  17   7.930  -3.643  -3.643
  129   1HB   LYS  17          2HB       LYS  17   9.247  -3.084  -3.084
  130   2HB   LYS  17          1HB       LYS  17   9.720  -4.588  -4.588
  131   1HG   LYS  17          2HG       LYS  17  10.370  -3.443  -3.443
  132   2HG   LYS  17          1HG       LYS  17   9.646  -1.940  -1.940
  133   1HD   LYS  17          2HD       LYS  17  11.417  -2.554  -2.554
  134   2HD   LYS  17          1HD       LYS  17  12.289  -3.090  -3.090
  135   1HE   LYS  17          2HE       LYS  17  11.072  -0.539  -0.539
  136   2HE   LYS  17          1HE       LYS  17  11.891  -0.392  -0.392
  137   1HZ   LYS  17          1HZ       LYS  17  13.307  -1.717  -1.717
  138   2HZ   LYS  17          2HZ       LYS  17  13.224  -0.091  -0.091
  139    H    ALA  18           H        ALA  18   7.877  -5.864  -5.864
  140    HA   ALA  18           HA       ALA  18   6.012  -7.327  -7.327
  141   1HB   ALA  18          2HB       ALA  18   5.854  -7.070  -7.070
  142   2HB   ALA  18          3HB       ALA  18   7.216  -8.212  -8.212
  143   3HB   ALA  18          1HB       ALA  18   5.677  -8.711  -8.711
  144    H    GLN  19           H        GLN  19   6.507  -9.688  -9.688
  145    HA   GLN  19           HA       GLN  19   8.773  -9.895  -9.895
  146   1HB   GLN  19          2HB       GLN  19   6.582 -11.407 -11.407
  147   2HB   GLN  19          1HB       GLN  19   7.623 -12.373 -12.373
  148   1HG   GLN  19          2HG       GLN  19   8.651 -11.495 -11.495
  149   2HG   GLN  19          1HG       GLN  19   7.509 -12.823 -12.823
  150   1HE2  GLN  19          2HE2      GLN  19   9.687 -14.903 -14.903
  151   2HE2  GLN  19          1HE2      GLN  19   8.062 -14.304 -14.304
  152    H    SER  20           H        SER  20   8.331 -10.294 -10.294
  153    HA   SER  20           HA       SER  20  11.146 -11.033 -11.033
  154   1HB   SER  20          2HB       SER  20  10.180 -12.055 -12.055
  155   2HB   SER  20          1HB       SER  20  10.382 -12.999 -12.999
  156    HG   SER  20           HG       SER  20   8.019 -12.063 -12.063
  157    H    GLY  21           H        GLY  21   9.520  -8.421  -8.421
  158   1HA   GLY  21          1HA       GLY  21   9.622  -6.476  -6.476
  159   2HA   GLY  21          2HA       GLY  21  10.977  -7.127  -7.127
  160    H    LYS  22           H        LYS  22   8.196  -9.167  -9.167
  161    HA   LYS  22           HA       LYS  22   7.928  -8.617  -8.617
  162   1HB   LYS  22          2HB       LYS  22   7.683 -10.864 -10.864
  163   2HB   LYS  22          1HB       LYS  22   6.165 -10.320 -10.320
  164   1HG   LYS  22          2HG       LYS  22   6.246  -9.723  -9.723
  165   2HG   LYS  22          1HG       LYS  22   6.589 -11.420 -11.420
  166   1HD   LYS  22          2HD       LYS  22   4.204  -9.958  -9.958
  167   2HD   LYS  22          1HD       LYS  22   4.120 -10.874 -10.874
  168   1HE   LYS  22          2HE       LYS  22   5.164 -12.137 -12.137
  169   2HE   LYS  22          1HE       LYS  22   3.447 -12.082 -12.082
  170   1HZ   LYS  22          1HZ       LYS  22   5.513 -13.351 -13.351
  171   2HZ   LYS  22          2HZ       LYS  22   4.387 -14.135 -14.135
  172    H    THR  23           H        THR  23   5.455  -8.485  -8.485
  173    HA   THR  23           HA       THR  23   3.571  -7.054  -7.054
  174    HB   THR  23           HB       THR  23   4.094  -7.960  -7.960
  175    HG1  THR  23          1HG       THR  23   1.689  -7.497  -7.497
  176   1HG2  THR  23          2HG2      THR  23   4.451  -5.339  -5.339
  177   2HG2  THR  23          3HG2      THR  23   2.692  -5.268  -5.268
  178   3HG2  THR  23          1HG2      THR  23   3.351  -6.193  -6.193
  179    H    ALA  24           H        ALA  24   2.847  -4.708  -4.708
  180    HA   ALA  24           HA       ALA  24   4.600  -2.772  -2.772
  181   1HB   ALA  24          3HB       ALA  24   4.910  -3.605  -3.605
  182   2HB   ALA  24          1HB       ALA  24   5.022  -1.875  -1.875
  183   3HB   ALA  24          2HB       ALA  24   6.136  -3.038  -3.038
  184    H    ILE  25           H        ILE  25   3.197  -1.191  -1.191
  185    HA   ILE  25           HA       ILE  25   1.423   0.121   0.121
  186    HB   ILE  25           HB       ILE  25   1.203  -0.307  -0.307
  187   1HG1  ILE  25          2HG1      ILE  25   2.943   1.796   1.796
  188   2HG1  ILE  25          3HG1      ILE  25   3.576   0.203   0.203
  189   1HG2  ILE  25          3HG2      ILE  25  -0.199   1.322   1.322
  190   2HG2  ILE  25          1HG2      ILE  25   0.793   2.385   2.385
  191   3HG2  ILE  25          2HG2      ILE  25  -0.364   1.255   1.255
  192   1HD1  ILE  25          1HD1      ILE  25   2.203   0.904   0.904
  193   2HD1  ILE  25          2HD1      ILE  25   2.967   2.424   2.424
  194   3HD1  ILE  25          3HD1      ILE  25   3.964   0.976   0.976
  195    H    CYS  26           H        CYS  26  -0.712  -0.135  -0.135
  196    HA   CYS  26           HA       CYS  26  -2.145  -2.363  -2.363
  197   1HB   CYS  26          2HB       CYS  26  -1.454  -3.590  -3.590
  198   2HB   CYS  26          1HB       CYS  26  -1.270  -2.196  -2.196
  199    H    LYS  27           H        LYS  27  -3.921  -1.300  -1.300
  200    HA   LYS  27           HA       LYS  27  -4.787   1.162   1.162
  201   1HB   LYS  27          2HB       LYS  27  -7.182   0.034   0.034
  202   2HB   LYS  27          1HB       LYS  27  -6.002   0.183   0.183
  203   1HG   LYS  27          2HG       LYS  27  -5.455  -2.086  -2.086
  204   2HG   LYS  27          1HG       LYS  27  -5.802  -2.259  -2.259
  205   1HD   LYS  27          2HD       LYS  27  -7.747  -3.245  -3.245
  206   2HD   LYS  27          1HD       LYS  27  -8.307  -1.617  -1.617
  207   1HE   LYS  27          2HE       LYS  27  -7.735  -1.769  -1.769
  208   2HE   LYS  27          1HE       LYS  27  -6.755  -3.201  -3.201
  209   1HZ   LYS  27          1HZ       LYS  27  -8.813  -4.399  -4.399
  210   2HZ   LYS  27          2HZ       LYS  27  -9.707  -3.071  -3.071
  211    H    CYS  28           H        CYS  28  -5.750   2.388   2.388
  212    HA   CYS  28           HA       CYS  28  -6.163   1.037   1.037
  213   1HB   CYS  28          2HB       CYS  28  -5.703   3.887   3.887
  214   2HB   CYS  28          1HB       CYS  28  -6.444   3.531   3.531
  215    H    TYR  29           H        TYR  29  -8.227   0.491   0.491
  216    HA   TYR  29           HA       TYR  29 -10.427   1.934   1.934
  217   1HB   TYR  29          2HB       TYR  29 -11.600  -0.228  -0.228
  218   2HB   TYR  29          1HB       TYR  29 -10.008  -0.572  -0.572
  219    HD1  TYR  29           HD2      TYR  29 -12.097  -0.719  -0.719
  220    HD2  TYR  29           HD1      TYR  29  -8.447  -1.942  -1.942
  221    HE1  TYR  29           HE2      TYR  29 -11.687  -2.385  -2.385
  222    HE2  TYR  29           HE1      TYR  29  -8.049  -3.604  -3.604
  223    HH   TYR  29           HH       TYR  29  -9.197  -3.487  -3.487
  224    H    VAL  30           H        VAL  30  -8.725   1.879   1.879
  225    HA   VAL  30           HA       VAL  30 -11.158   2.220   2.220
  226    HB   VAL  30           HB       VAL  30  -9.866   1.528   1.528
  227   1HG1  VAL  30          1HG1      VAL  30 -10.904  -0.133  -0.133
  228   2HG1  VAL  30          2HG1      VAL  30  -9.201  -0.615  -0.615
  229   3HG1  VAL  30          3HG1      VAL  30  -9.984  -0.733  -0.733
  230   1HG2  VAL  30          1HG2      VAL  30  -7.643   2.308   2.308
  231   2HG2  VAL  30          2HG2      VAL  30  -7.624   1.376   1.376
  232   3HG2  VAL  30          3HG2      VAL  30  -7.519   0.533   0.533
  233    H    LYS  31           H        LYS  31  -8.929   3.211   3.211
  234    HA   LYS  31           HA       LYS  31  -9.464   5.891   5.891
  235   1HB   LYS  31          2HB       LYS  31  -7.941   4.179   4.179
  236   2HB   LYS  31          1HB       LYS  31  -6.890   5.503   5.503
  237   1HG   LYS  31          2HG       LYS  31  -7.949   6.533   6.533
  238   2HG   LYS  31          1HG       LYS  31  -9.097   6.962   6.962
  239   1HD   LYS  31          2HD       LYS  31  -9.751   4.314   4.314
  240   2HD   LYS  31          1HD       LYS  31  -9.564   5.394   5.394
  241   1HE   LYS  31          2HE       LYS  31 -11.259   6.111   6.111
  242   2HE   LYS  31          1HE       LYS  31 -11.918   5.277   5.277
  243   1HZ   LYS  31          1HZ       LYS  31 -12.204   7.351   7.351
  244   2HZ   LYS  31          2HZ       LYS  31 -10.604   7.380   7.380
  245    H    LYS  32           H        LYS  32  -9.276   6.673   6.673
  246    HA   LYS  32           HA       LYS  32  -7.374   6.281   6.281
  247   1HB   LYS  32          2HB       LYS  32  -8.243   8.081   8.081
  248   2HB   LYS  32          1HB       LYS  32  -9.442   7.980   7.980
  249   1HG   LYS  32          2HG       LYS  32  -6.917   9.694   9.694
  250   2HG   LYS  32          1HG       LYS  32  -8.492  10.301  10.301
  251   1HD   LYS  32          2HD       LYS  32  -8.000   8.894   8.894
  252   2HD   LYS  32          1HD       LYS  32  -7.853  10.629  10.629
  253   1HE   LYS  32          2HE       LYS  32 -10.339  10.036  10.036
  254   2HE   LYS  32          1HE       LYS  32 -10.283   8.976   8.976
  255   1HZ   LYS  32          1HZ       LYS  32  -9.574  11.064  11.064
  256   2HZ   LYS  32          2HZ       LYS  32 -10.069  11.925  11.925
  257    H    CYS  33           H        CYS  33  -5.370   7.379   7.379
  258    HA   CYS  33           HA       CYS  33  -3.559   7.468   7.468
  259   1HB   CYS  33          2HB       CYS  33  -2.784   6.837   6.837
  260   2HB   CYS  33          1HB       CYS  33  -3.385   8.305   8.305
  261    HA   PRO  34           HA       PRO  34  -4.199  11.616  11.616
  262   1HB   PRO  34          2HB       PRO  34  -2.084  11.897  11.897
  263   2HB   PRO  34          1HB       PRO  34  -3.596  11.141  11.141
  264   1HG   PRO  34          2HG       PRO  34  -0.996   9.869   9.869
  265   2HG   PRO  34          1HG       PRO  34  -2.372   9.204   9.204
  266   1HD   PRO  34          2HD       PRO  34  -1.590   8.627   8.627
  267   2HD   PRO  34          1HD       PRO  34  -3.028   8.053   8.053
  268    H    ARG  35           H        ARG  35  -1.148  10.586  10.586
  269    HA   ARG  35           HA       ARG  35  -1.036  12.564  12.564
  270   1HB   ARG  35          2HB       ARG  35   0.872  14.002  14.002
  271   2HB   ARG  35          1HB       ARG  35  -0.766  14.326  14.326
  272   1HG   ARG  35          2HG       ARG  35  -0.246  12.555  12.555
  273   2HG   ARG  35          1HG       ARG  35   1.432  12.833  12.833
  274   1HD   ARG  35          2HD       ARG  35  -0.546  14.716  14.716
  275   2HD   ARG  35          1HD       ARG  35   1.143  14.459  14.459
  276    HE   ARG  35           HE       ARG  35   0.074  16.233  16.233
  277   1HH1  ARG  35          2HH2      ARG  35   2.941  14.679  14.679
  278   2HH1  ARG  35          1HH2      ARG  35   4.050  15.784  15.784
  279    HH2  ARG  35          1HH       ARG  35   3.203  17.547  17.547
  280    H    ASP  36           H        ASP  36   0.764  12.198  12.198
  281    HA   ASP  36           HA       ASP  36   1.926   9.853   9.853
  282   1HB   ASP  36          2HB       ASP  36   3.434  12.437  12.437
  283   2HB   ASP  36          1HB       ASP  36   3.748  10.870  10.870
  284    HD2  ASP  36          2HD       ASP  36   1.792  13.573  13.573
  285    H    GLY  37           H        GLY  37   3.562   8.711   8.711
  286   1HA   GLY  37          1HA       GLY  37   5.624   8.612   8.612
  287   2HA   GLY  37          2HA       GLY  37   5.375  10.234  10.234
  288    H    ALA  38           H        ALA  38   2.380   9.399   9.399
  289    HA   ALA  38           HA       ALA  38   2.579   8.957   8.957
  290   1HB   ALA  38          1HB       ALA  38   0.366   8.273   8.273
  291   2HB   ALA  38          2HB       ALA  38   0.169   8.290   8.290
  292   3HB   ALA  38          3HB       ALA  38   0.564   9.794   9.794
  293    H    LYS  39           H        LYS  39   3.267   7.248   7.248
  294    HA   LYS  39           HA       LYS  39   4.020   4.845   4.845
  295   1HB   LYS  39          2HB       LYS  39   4.925   5.892   5.892
  296   2HB   LYS  39          1HB       LYS  39   3.491   5.309   5.309
  297   1HG   LYS  39          2HG       LYS  39   4.555   3.120   3.120
  298   2HG   LYS  39          1HG       LYS  39   5.890   3.847   3.847
  299   1HD   LYS  39          2HD       LYS  39   5.007   2.230   2.230
  300   2HD   LYS  39          1HD       LYS  39   4.395   3.761   3.761
  301   1HE   LYS  39          2HE       LYS  39   2.787   2.043   2.043
  302   2HE   LYS  39          1HE       LYS  39   2.704   1.796   1.796
  303   1HZ   LYS  39          1HZ       LYS  39   1.028   3.337   3.337
  304   2HZ   LYS  39          2HZ       LYS  39   2.246   4.358   4.358
  305    H    CYS  40           H        CYS  40   3.114   2.712   2.712
  306    HA   CYS  40           HA       CYS  40   0.484   2.432   2.432
  307   1HB   CYS  40          2HB       CYS  40  -0.322   3.363   3.363
  308   2HB   CYS  40          1HB       CYS  40   0.906   2.600   2.600
  309    H    GLU  41           H        GLU  41  -0.221   0.066   0.066
  310    HA   GLU  41           HA       GLU  41   2.089  -1.620  -1.620
  311   1HB   GLU  41          2HB       GLU  41   1.139  -3.073  -3.073
  312   2HB   GLU  41          1HB       GLU  41   2.125  -1.673  -1.673
  313   1HG   GLU  41          2HG       GLU  41  -0.094  -0.334  -0.334
  314   2HG   GLU  41          1HG       GLU  41  -0.913  -1.883  -1.883
  315    HE2  GLU  41          2HE       GLU  41  -0.529  -0.536  -0.536
  316    H    PHE  42           H        PHE  42   1.600  -3.715  -3.715
  317    HA   PHE  42           HA       PHE  42  -1.166  -3.905  -3.905
  318   1HB   PHE  42          2HB       PHE  42   0.557  -3.694  -3.694
  319   2HB   PHE  42          1HB       PHE  42   1.571  -4.891  -4.891
  320    HD1  PHE  42          2HD       PHE  42  -1.916  -4.658  -4.658
  321    HD2  PHE  42          1HD       PHE  42   1.621  -6.975  -6.975
  322    HE1  PHE  42          2HE       PHE  42  -2.946  -6.455  -6.455
  323    HE2  PHE  42          1HE       PHE  42   0.590  -8.772  -8.772
  324    HZ   PHE  42           HZ       PHE  42  -1.681  -8.491  -8.491
  325    H    ASP  43           H        ASP  43  -2.372  -5.337  -5.337
  326    HA   ASP  43           HA       ASP  43  -1.181  -7.257  -7.257
  327   1HB   ASP  43          2HB       ASP  43  -3.746  -6.153  -6.153
  328   2HB   ASP  43          1HB       ASP  43  -3.958  -7.843  -7.843
  329    HD2  ASP  43          2HD       ASP  43  -4.296  -7.040  -7.040
  330    H    SER  44           H        SER  44  -0.645  -9.423  -9.423
  331    HA   SER  44           HA       SER  44  -1.083 -10.246 -10.246
  332   1HB   SER  44          2HB       SER  44   0.716 -11.753 -11.753
  333   2HB   SER  44          1HB       SER  44   1.193 -10.347 -10.347
  334    HG   SER  44           HG       SER  44  -0.010 -12.770 -12.770
  335    H    TYR  45           H        TYR  45  -2.253 -10.769 -10.769
  336    HA   TYR  45           HA       TYR  45  -3.116 -13.429 -13.429
  337   1HB   TYR  45          2HB       TYR  45  -4.144 -12.867 -12.867
  338   2HB   TYR  45          1HB       TYR  45  -2.891 -11.646 -11.646
  339    HD1  TYR  45           HD1      TYR  45  -4.041  -9.719  -9.719
  340    HD2  TYR  45           HD2      TYR  45  -5.907 -11.868 -11.868
  341    HE1  TYR  45           HE1      TYR  45  -5.805  -7.900  -7.900
  342    HE2  TYR  45           HE2      TYR  45  -7.664 -10.042 -10.042
  343    HH   TYR  45           HH       TYR  45  -8.644  -8.339  -8.339
  344    H    LYS  46           H        LYS  46  -4.122 -10.611 -10.611
  345    HA   LYS  46           HA       LYS  46  -6.489 -12.031 -12.031
  346   1HB   LYS  46          2HB       LYS  46  -6.548  -9.253  -9.253
  347   2HB   LYS  46          1HB       LYS  46  -7.819  -9.885  -9.885
  348   1HG   LYS  46          2HG       LYS  46  -7.739 -11.956 -11.956
  349   2HG   LYS  46          1HG       LYS  46  -6.984 -10.799 -10.799
  350   1HD   LYS  46          2HD       LYS  46  -8.931  -9.245  -9.245
  351   2HD   LYS  46          1HD       LYS  46  -9.689 -10.425 -10.425
  352   1HE   LYS  46          2HE       LYS  46  -8.825 -11.421 -11.421
  353   2HE   LYS  46          1HE       LYS  46 -10.164 -10.291 -10.291
  354   1HZ   LYS  46          1HZ       LYS  46 -10.312 -12.442 -12.442
  355   2HZ   LYS  46          2HZ       LYS  46 -10.493 -12.896 -12.896
  356    H    GLY  47           H        GLY  47  -4.539  -8.978  -8.978
  357   1HA   GLY  47          1HA       GLY  47  -3.229  -8.604  -8.604
  358   2HA   GLY  47          2HA       GLY  47  -4.413  -9.477  -9.477
  359    H    LYS  48           H        LYS  48  -4.930  -6.947  -6.947
  360    HA   LYS  48           HA       LYS  48  -6.253  -5.349  -5.349
  361   1HB   LYS  48          2HB       LYS  48  -6.914  -5.795  -5.795
  362   2HB   LYS  48          1HB       LYS  48  -7.499  -4.386  -4.386
  363   1HG   LYS  48          2HG       LYS  48  -9.078  -5.598  -5.598
  364   2HG   LYS  48          1HG       LYS  48  -7.908  -6.805  -6.805
  365   1HD   LYS  48          2HD       LYS  48  -9.140  -8.162  -8.162
  366   2HD   LYS  48          1HD       LYS  48  -8.093  -7.482  -7.482
  367   1HE   LYS  48          2HE       LYS  48 -10.459  -7.342  -7.342
  368   2HE   LYS  48          1HE       LYS  48  -9.785  -5.736  -5.736
  369   1HZ   LYS  48          1HZ       LYS  48 -11.810  -7.060  -7.060
  370   2HZ   LYS  48          2HZ       LYS  48 -11.656  -5.480  -5.480
  371    H    CYS  49           H        CYS  49  -6.406  -2.895  -2.895
  372    HA   CYS  49           HA       CYS  49  -3.593  -2.255  -2.255
  373   1HB   CYS  49          2HB       CYS  49  -3.746  -0.651  -0.651
  374   2HB   CYS  49          1HB       CYS  49  -5.287  -1.341  -1.341
  375    H    TYR  50           H        TYR  50  -3.069  -1.196  -1.196
  376    HA   TYR  50           HA       TYR  50  -5.344  -0.319  -0.319
  377   1HB   TYR  50          2HB       TYR  50  -2.916  -2.066  -2.066
  378   2HB   TYR  50          1HB       TYR  50  -3.221  -0.939  -0.939
  379    HD1  TYR  50           HD2      TYR  50  -5.516  -3.000  -3.000
  380    HD2  TYR  50           HD1      TYR  50  -4.149  -2.071  -2.071
  381    HE1  TYR  50           HE2      TYR  50  -7.239  -4.592  -4.592
  382    HE2  TYR  50           HE1      TYR  50  -5.876  -3.667  -3.667
  383    HH   TYR  50           HH       TYR  50  -8.182  -5.328  -5.328
  384    H    CYS  51           H        CYS  51  -4.346   1.558   1.558
  385    HA   CYS  51           HA       CYS  51  -2.059   2.879   2.879
  386   1HB   CYS  51          2HB       CYS  51  -4.576   3.931   3.931
  387   2HB   CYS  51          1HB       CYS  51  -3.117   4.878   4.878

  Start of MODEL   23
    1    H    ALA   1           H        ALA   1   2.815 -11.837 -11.837
    2    HA   ALA   1           HA       ALA   1   4.770 -10.764 -10.764
    3   1HB   ALA   1          1HB       ALA   1   2.327 -12.261 -12.261
    4   2HB   ALA   1          2HB       ALA   1   3.560 -11.743 -11.743
    5   3HB   ALA   1          3HB       ALA   1   4.007 -12.827 -12.827
    6    H    THR   2           H        THR   2   3.063  -8.553  -8.553
    7    HA   THR   2           HA       THR   2   1.869  -7.292  -7.292
    8    HB   THR   2           HB       THR   2   2.772  -5.663  -5.663
    9    HG1  THR   2          1HG       THR   2   1.867  -7.087  -7.087
   10   1HG2  THR   2          3HG2      THR   2   0.786  -5.323  -5.323
   11   2HG2  THR   2          1HG2      THR   2  -0.095  -6.357  -6.357
   12   3HG2  THR   2          2HG2      THR   2   0.592  -4.807  -4.807
   13    H    TYR   3           H        TYR   3   2.603  -5.694  -5.694
   14    HA   TYR   3           HA       TYR   3   5.523  -5.375  -5.375
   15   1HB   TYR   3          2HB       TYR   3   3.458  -4.852  -4.852
   16   2HB   TYR   3          1HB       TYR   3   5.186  -5.045  -5.045
   17    HD1  TYR   3           HD1      TYR   3   6.222  -7.268  -7.268
   18    HD2  TYR   3           HD2      TYR   3   2.000  -6.793  -6.793
   19    HE1  TYR   3           HE1      TYR   3   5.881  -9.747  -9.747
   20    HE2  TYR   3           HE2      TYR   3   1.674  -9.274  -9.274
   21    HH   TYR   3           HH       TYR   3   2.623 -11.166 -11.166
   22    H    ASN   4           H        ASN   4   6.242  -3.449  -3.449
   23    HA   ASN   4           HA       ASN   4   4.397  -1.271  -1.271
   24   1HB   ASN   4          2HB       ASN   4   7.334  -0.959  -0.959
   25   2HB   ASN   4          1HB       ASN   4   5.948  -0.279  -0.279
   26   1HD2  ASN   4          2HD2      ASN   4   5.084  -3.531  -3.531
   27   2HD2  ASN   4          1HD2      ASN   4   4.339  -2.366  -2.366
   28    H    GLY   5           H        GLY   5   4.744   0.799   0.799
   29   1HA   GLY   5          1HA       GLY   5   6.976   1.228   1.228
   30   2HA   GLY   5          2HA       GLY   5   5.565   0.712   0.712
   31    H    LYS   6           H        LYS   6   4.762   2.541   2.541
   32    HA   LYS   6           HA       LYS   6   3.855   4.644   4.644
   33   1HB   LYS   6          2HB       LYS   6   5.702   5.185   5.185
   34   2HB   LYS   6          1HB       LYS   6   4.830   6.410   6.410
   35   1HG   LYS   6          2HG       LYS   6   6.000   5.774   5.774
   36   2HG   LYS   6          1HG       LYS   6   6.797   4.444   4.444
   37   1HD   LYS   6          2HD       LYS   6   7.687   6.309   6.309
   38   2HD   LYS   6          1HD       LYS   6   7.246   7.423   7.423
   39   1HE   LYS   6          2HE       LYS   6   9.456   6.950   6.950
   40   2HE   LYS   6          1HE       LYS   6   8.608   5.753   5.753
   41   1HZ   LYS   6          1HZ       LYS   6  10.567   5.102   5.102
   42   2HZ   LYS   6          2HZ       LYS   6   9.355   4.067   4.067
   43    H    CYS   7           H        CYS   7   2.205   6.027   6.027
   44    HA   CYS   7           HA       CYS   7   1.002   4.634   4.634
   45   1HB   CYS   7          2HB       CYS   7  -1.178   5.632   5.632
   46   2HB   CYS   7          1HB       CYS   7  -0.511   4.158   4.158
   47    H    TYR   8           H        TYR   8  -0.558   6.235   6.235
   48    HA   TYR   8           HA       TYR   8   0.534   8.957   8.957
   49   1HB   TYR   8          2HB       TYR   8  -0.044   7.146   7.146
   50   2HB   TYR   8          1HB       TYR   8   0.516   8.803   8.803
   51    HD1  TYR   8           HD1      TYR   8   2.766   9.212   9.212
   52    HD2  TYR   8           HD2      TYR   8   1.554   5.517   5.517
   53    HE1  TYR   8           HE1      TYR   8   5.173   8.395   8.395
   54    HE2  TYR   8           HE2      TYR   8   3.965   4.712   4.712
   55    HH   TYR   8           HH       TYR   8   6.508   6.658   6.658
   56    H    LYS   9           H        LYS   9  -1.017  10.526  10.526
   57    HA   LYS   9           HA       LYS   9  -3.696   9.859   9.859
   58   1HB   LYS   9          2HB       LYS   9  -2.059  12.270  12.270
   59   2HB   LYS   9          1HB       LYS   9  -3.612  12.514  12.514
   60   1HG   LYS   9          2HG       LYS   9  -4.745  11.546  11.546
   61   2HG   LYS   9          1HG       LYS   9  -3.180  11.385  11.385
   62   1HD   LYS   9          2HD       LYS   9  -2.927  13.685  13.685
   63   2HD   LYS   9          1HD       LYS   9  -3.872  14.093  14.093
   64   1HE   LYS   9          2HE       LYS   9  -5.662  12.738  12.738
   65   2HE   LYS   9          1HE       LYS   9  -4.747  13.847  13.847
   66   1HZ   LYS   9          1HZ       LYS   9  -5.914  15.539  15.539
   67   2HZ   LYS   9          2HZ       LYS   9  -5.492  15.155  15.155
   68    H    LYS  10           H        LYS  10  -2.236  11.706  11.706
   69    HA   LYS  10           HA       LYS  10  -4.274  11.576  11.576
   70   1HB   LYS  10          2HB       LYS  10  -1.812  12.504  12.504
   71   2HB   LYS  10          1HB       LYS  10  -1.515  11.003  11.003
   72   1HG   LYS  10          2HG       LYS  10  -3.300  11.503  11.503
   73   2HG   LYS  10          1HG       LYS  10  -3.782  12.923  12.923
   74   1HD   LYS  10          2HD       LYS  10  -2.436  13.842  13.842
   75   2HD   LYS  10          1HD       LYS  10  -1.323  13.748  13.748
   76   1HE   LYS  10          2HE       LYS  10  -0.789  11.328  11.328
   77   2HE   LYS  10          1HE       LYS  10  -1.466  11.993  11.993
   78   1HZ   LYS  10          1HZ       LYS  10   0.605  12.821  12.821
   79   2HZ   LYS  10          2HZ       LYS  10   0.221  13.956  13.956
   80    H    ASP  11           H        ASP  11  -1.590   9.172   9.172
   81    HA   ASP  11           HA       ASP  11  -3.016   7.446   7.446
   82   1HB   ASP  11          2HB       ASP  11  -0.742   7.050   7.050
   83   2HB   ASP  11          1HB       ASP  11  -1.402   5.673   5.673
   84    HD2  ASP  11          2HD       ASP  11   0.889   5.649   5.649
   85    H    ASN  12           H        ASN  12  -3.260   8.152   8.152
   86    HA   ASN  12           HA       ASN  12  -4.238   7.180   7.180
   87   1HB   ASN  12          2HB       ASN  12  -6.256   8.024   8.024
   88   2HB   ASN  12          1HB       ASN  12  -6.228   6.855   6.855
   89   1HD2  ASN  12          2HD2      ASN  12  -7.538   5.797   5.797
   90   2HD2  ASN  12          1HD2      ASN  12  -6.451   7.121   7.121
   91    H    ILE  13           H        ILE  13  -2.376   5.411   5.411
   92    HA   ILE  13           HA       ILE  13  -3.724   2.828   2.828
   93    HB   ILE  13           HB       ILE  13  -1.862   1.885   1.885
   94   1HG1  ILE  13          2HG1      ILE  13  -0.727   3.533   3.533
   95   2HG1  ILE  13          3HG1      ILE  13  -1.277   4.815   4.815
   96   1HG2  ILE  13          3HG2      ILE  13  -4.270   3.042   3.042
   97   2HG2  ILE  13          1HG2      ILE  13  -3.096   3.686   3.686
   98   3HG2  ILE  13          2HG2      ILE  13  -3.274   1.927   1.927
   99   1HD1  ILE  13          3HD1      ILE  13   0.044   2.542   2.542
  100   2HD1  ILE  13          1HD1      ILE  13   1.099   3.475   3.475
  101   3HD1  ILE  13          2HD1      ILE  13   0.241   4.295   4.295
  102    H    CYS  14           H        CYS  14  -1.671   1.141   1.141
  103    HA   CYS  14           HA       CYS  14  -0.355   2.394   2.394
  104   1HB   CYS  14          2HB       CYS  14  -2.218   0.276   0.276
  105   2HB   CYS  14          1HB       CYS  14  -0.657  -0.459  -0.459
  106    H    LYS  15           H        LYS  15   1.761   2.664   2.664
  107    HA   LYS  15           HA       LYS  15   2.913   0.617   0.617
  108   1HB   LYS  15          2HB       LYS  15   3.030   3.101   3.101
  109   2HB   LYS  15          1HB       LYS  15   4.124   3.263   3.263
  110   1HG   LYS  15          2HG       LYS  15   4.651   1.180   1.180
  111   2HG   LYS  15          1HG       LYS  15   5.117   2.849   2.849
  112   1HD   LYS  15          2HD       LYS  15   5.950   1.976   1.976
  113   2HD   LYS  15          1HD       LYS  15   6.551   0.863   0.863
  114   1HE   LYS  15          2HE       LYS  15   7.103   3.254   3.254
  115   2HE   LYS  15          1HE       LYS  15   7.238   3.741   3.741
  116   1HZ   LYS  15          1HZ       LYS  15   8.786   1.629   1.629
  117   2HZ   LYS  15          2HZ       LYS  15   9.360   2.933   2.933
  118    H    TYR  16           H        TYR  16   4.444  -0.832  -0.832
  119    HA   TYR  16           HA       TYR  16   5.951  -0.354  -0.354
  120   1HB   TYR  16          2HB       TYR  16   4.968  -2.494  -2.494
  121   2HB   TYR  16          1HB       TYR  16   3.829  -1.163  -1.163
  122    HD1  TYR  16           HD1      TYR  16   2.397  -1.095  -1.095
  123    HD2  TYR  16           HD2      TYR  16   4.218  -4.582  -4.582
  124    HE1  TYR  16           HE1      TYR  16   0.759  -2.571  -2.571
  125    HE2  TYR  16           HE2      TYR  16   2.574  -6.046  -6.046
  126    HH   TYR  16           HH       TYR  16  -0.171  -4.713  -4.713
  127    H    LYS  17           H        LYS  17   7.423  -2.285  -2.285
  128    HA   LYS  17           HA       LYS  17   8.188  -3.432  -3.432
  129   1HB   LYS  17          2HB       LYS  17   9.633  -2.182  -2.182
  130   2HB   LYS  17          1HB       LYS  17  10.092  -3.873  -3.873
  131   1HG   LYS  17          2HG       LYS  17  10.023  -2.254  -2.254
  132   2HG   LYS  17          1HG       LYS  17  11.453  -2.353  -2.353
  133   1HD   LYS  17          2HD       LYS  17  10.002  -4.766  -4.766
  134   2HD   LYS  17          1HD       LYS  17  11.443  -4.039  -4.039
  135   1HE   LYS  17          2HE       LYS  17  12.054  -4.478  -4.478
  136   2HE   LYS  17          1HE       LYS  17  11.214  -5.924  -5.924
  137   1HZ   LYS  17          1HZ       LYS  17  13.066  -5.140  -5.140
  138   2HZ   LYS  17          2HZ       LYS  17  13.846  -5.240  -5.240
  139    H    ALA  18           H        ALA  18   7.028  -5.288  -5.288
  140    HA   ALA  18           HA       ALA  18   5.966  -6.940  -6.940
  141   1HB   ALA  18          1HB       ALA  18   6.075  -6.860  -6.860
  142   2HB   ALA  18          2HB       ALA  18   7.128  -8.260  -8.260
  143   3HB   ALA  18          3HB       ALA  18   5.454  -8.251  -8.251
  144    H    GLN  19           H        GLN  19   6.731  -9.381  -9.381
  145    HA   GLN  19           HA       GLN  19   8.963  -9.267  -9.267
  146   1HB   GLN  19          2HB       GLN  19   7.430 -10.991 -10.991
  147   2HB   GLN  19          1HB       GLN  19   7.321 -11.507 -11.507
  148   1HG   GLN  19          2HG       GLN  19  10.029 -11.708 -11.708
  149   2HG   GLN  19          1HG       GLN  19   8.807 -12.821 -12.821
  150   1HE2  GLN  19          2HE2      GLN  19   8.223 -14.220 -14.220
  151   2HE2  GLN  19          1HE2      GLN  19   7.314 -13.450 -13.450
  152    H    SER  20           H        SER  20   8.545 -10.315 -10.315
  153    HA   SER  20           HA       SER  20  11.445 -10.595 -10.595
  154   1HB   SER  20          2HB       SER  20   9.310 -12.284 -12.284
  155   2HB   SER  20          1HB       SER  20  10.167 -11.676 -11.676
  156    HG   SER  20           HG       SER  20  11.387 -13.419 -13.419
  157    H    GLY  21           H        GLY  21   9.053  -8.391  -8.391
  158   1HA   GLY  21          1HA       GLY  21   9.212  -6.388  -6.388
  159   2HA   GLY  21          2HA       GLY  21  10.608  -6.962  -6.962
  160    H    LYS  22           H        LYS  22   8.476  -9.479  -9.479
  161    HA   LYS  22           HA       LYS  22   7.999  -9.103  -9.103
  162   1HB   LYS  22          2HB       LYS  22   7.699 -11.148 -11.148
  163   2HB   LYS  22          1HB       LYS  22   6.018 -10.678 -10.678
  164   1HG   LYS  22          2HG       LYS  22   6.128 -10.873 -10.873
  165   2HG   LYS  22          1HG       LYS  22   7.849 -11.201 -11.201
  166   1HD   LYS  22          2HD       LYS  22   7.485 -13.406 -13.406
  167   2HD   LYS  22          1HD       LYS  22   6.449 -13.047 -13.047
  168   1HE   LYS  22          2HE       LYS  22   4.805 -13.967 -13.967
  169   2HE   LYS  22          1HE       LYS  22   4.754 -12.377 -12.377
  170   1HZ   LYS  22          1HZ       LYS  22   6.029 -14.814 -14.814
  171   2HZ   LYS  22          2HZ       LYS  22   5.086 -13.745 -13.745
  172    H    THR  23           H        THR  23   6.132  -8.011  -8.011
  173    HA   THR  23           HA       THR  23   3.994  -7.027  -7.027
  174    HB   THR  23           HB       THR  23   4.247  -7.958  -7.958
  175    HG1  THR  23          1HG       THR  23   2.211  -6.247  -6.247
  176   1HG2  THR  23          2HG2      THR  23   4.865  -5.316  -5.316
  177   2HG2  THR  23          3HG2      THR  23   3.091  -5.190  -5.190
  178   3HG2  THR  23          1HG2      THR  23   3.858  -6.191  -6.191
  179    H    ALA  24           H        ALA  24   3.253  -4.645  -4.645
  180    HA   ALA  24           HA       ALA  24   4.987  -2.720  -2.720
  181   1HB   ALA  24          2HB       ALA  24   5.373  -3.568  -3.568
  182   2HB   ALA  24          3HB       ALA  24   5.487  -1.837  -1.837
  183   3HB   ALA  24          1HB       ALA  24   6.570  -3.006  -3.006
  184    H    ILE  25           H        ILE  25   3.486  -1.250  -1.250
  185    HA   ILE  25           HA       ILE  25   1.700   0.045   0.045
  186    HB   ILE  25           HB       ILE  25   1.886  -0.177  -0.177
  187   1HG1  ILE  25          2HG1      ILE  25   3.142   1.888   1.888
  188   2HG1  ILE  25          3HG1      ILE  25   4.005   0.523   0.523
  189   1HG2  ILE  25          2HG2      ILE  25   0.111   1.304   1.304
  190   2HG2  ILE  25          3HG2      ILE  25   0.960   2.341   2.341
  191   3HG2  ILE  25          1HG2      ILE  25  -0.026   0.974   0.974
  192   1HD1  ILE  25          1HD1      ILE  25   3.015   1.416   1.416
  193   2HD1  ILE  25          2HD1      ILE  25   2.868   2.942   2.942
  194   3HD1  ILE  25          3HD1      ILE  25   4.461   2.172   2.172
  195    H    CYS  26           H        CYS  26  -0.547  -0.147  -0.147
  196    HA   CYS  26           HA       CYS  26  -1.915  -2.183  -2.183
  197   1HB   CYS  26          2HB       CYS  26  -1.057  -3.696  -3.696
  198   2HB   CYS  26          1HB       CYS  26  -1.239  -2.576  -2.576
  199    H    LYS  27           H        LYS  27  -3.883  -1.242  -1.242
  200    HA   LYS  27           HA       LYS  27  -4.749   1.138   1.138
  201   1HB   LYS  27          2HB       LYS  27  -6.664  -1.201  -1.201
  202   2HB   LYS  27          1HB       LYS  27  -6.984   0.435   0.435
  203   1HG   LYS  27          2HG       LYS  27  -5.323  -1.707  -1.707
  204   2HG   LYS  27          1HG       LYS  27  -6.687  -0.814  -0.814
  205   1HD   LYS  27          2HD       LYS  27  -5.025   1.279   1.279
  206   2HD   LYS  27          1HD       LYS  27  -3.816   0.031   0.031
  207   1HE   LYS  27          2HE       LYS  27  -5.400  -0.530  -0.530
  208   2HE   LYS  27          1HE       LYS  27  -5.765   1.177   1.177
  209   1HZ   LYS  27          1HZ       LYS  27  -3.760   0.584   0.584
  210   2HZ   LYS  27          2HZ       LYS  27  -3.490   1.726   1.726
  211    H    CYS  28           H        CYS  28  -5.754   2.300   2.300
  212    HA   CYS  28           HA       CYS  28  -5.313   1.165   1.165
  213   1HB   CYS  28          2HB       CYS  28  -5.622   3.850   3.850
  214   2HB   CYS  28          1HB       CYS  28  -6.435   3.648   3.648
  215    H    TYR  29           H        TYR  29  -7.278   2.069   2.069
  216    HA   TYR  29           HA       TYR  29  -9.881   2.056   2.056
  217   1HB   TYR  29          2HB       TYR  29  -9.362  -0.293  -0.293
  218   2HB   TYR  29          1HB       TYR  29  -8.635  -0.606  -0.606
  219    HD1  TYR  29           HD2      TYR  29 -11.934   0.787   0.787
  220    HD2  TYR  29           HD1      TYR  29  -9.884  -2.056  -2.056
  221    HE1  TYR  29           HE2      TYR  29 -14.161  -0.080  -0.080
  222    HE2  TYR  29           HE1      TYR  29 -12.118  -2.913  -2.913
  223    HH   TYR  29           HH       TYR  29 -14.425  -2.988  -2.988
  224    H    VAL  30           H        VAL  30 -11.506   1.795   1.795
  225    HA   VAL  30           HA       VAL  30 -12.190   2.096   2.096
  226    HB   VAL  30           HB       VAL  30  -9.397   1.564   1.564
  227   1HG1  VAL  30          2HG1      VAL  30 -11.300   2.345   2.345
  228   2HG1  VAL  30          3HG1      VAL  30 -12.032   0.749   0.749
  229   3HG1  VAL  30          1HG1      VAL  30 -10.429   0.867   0.867
  230   1HG2  VAL  30          2HG2      VAL  30 -11.435  -0.402  -0.402
  231   2HG2  VAL  30          3HG2      VAL  30  -9.711  -0.249  -0.249
  232   3HG2  VAL  30          1HG2      VAL  30 -10.190  -0.872  -0.872
  233    H    LYS  31           H        LYS  31  -8.758   3.255   3.255
  234    HA   LYS  31           HA       LYS  31  -9.865   5.961   5.961
  235   1HB   LYS  31          2HB       LYS  31  -8.325   4.393   4.393
  236   2HB   LYS  31          1HB       LYS  31  -7.492   5.877   5.877
  237   1HG   LYS  31          2HG       LYS  31  -9.220   7.249   7.249
  238   2HG   LYS  31          1HG       LYS  31 -10.453   6.029   6.029
  239   1HD   LYS  31          2HD       LYS  31  -8.757   4.808   4.808
  240   2HD   LYS  31          1HD       LYS  31  -8.705   6.490   6.490
  241   1HE   LYS  31          2HE       LYS  31 -11.343   5.071   5.071
  242   2HE   LYS  31          1HE       LYS  31 -10.584   5.011   5.011
  243   1HZ   LYS  31          1HZ       LYS  31 -11.320   7.080   7.080
  244   2HZ   LYS  31          2HZ       LYS  31 -10.660   7.691   7.691
  245    H    LYS  32           H        LYS  32  -9.435   6.722   6.722
  246    HA   LYS  32           HA       LYS  32  -7.455   6.050   6.050
  247   1HB   LYS  32          2HB       LYS  32  -8.209   7.775   7.775
  248   2HB   LYS  32          1HB       LYS  32  -9.409   7.944   7.944
  249   1HG   LYS  32          2HG       LYS  32  -6.710   9.375   9.375
  250   2HG   LYS  32          1HG       LYS  32  -8.198  10.097  10.097
  251   1HD   LYS  32          2HD       LYS  32  -7.893   8.963   8.963
  252   2HD   LYS  32          1HD       LYS  32  -7.564  10.639  10.639
  253   1HE   LYS  32          2HE       LYS  32 -10.084  10.179  10.179
  254   2HE   LYS  32          1HE       LYS  32 -10.157   9.275   9.275
  255   1HZ   LYS  32          1HZ       LYS  32  -8.964  11.819  11.819
  256   2HZ   LYS  32          2HZ       LYS  32 -10.417  12.012  12.012
  257    H    CYS  33           H        CYS  33  -5.395   7.202   7.202
  258    HA   CYS  33           HA       CYS  33  -3.644   7.150   7.150
  259   1HB   CYS  33          2HB       CYS  33  -2.839   6.642   6.642
  260   2HB   CYS  33          1HB       CYS  33  -3.373   8.180   8.180
  261    HA   PRO  34           HA       PRO  34  -4.234  11.224  11.224
  262   1HB   PRO  34          2HB       PRO  34  -2.135  11.373  11.373
  263   2HB   PRO  34          1HB       PRO  34  -3.661  10.610  10.610
  264   1HG   PRO  34          2HG       PRO  34  -1.069   9.345   9.345
  265   2HG   PRO  34          1HG       PRO  34  -2.462   8.645   8.645
  266   1HD   PRO  34          2HD       PRO  34  -1.657   8.226   8.226
  267   2HD   PRO  34          1HD       PRO  34  -3.111   7.620   7.620
  268    H    ARG  35           H        ARG  35  -1.152  10.248  10.248
  269    HA   ARG  35           HA       ARG  35  -1.001  12.322  12.322
  270   1HB   ARG  35          2HB       ARG  35   0.930  13.651  13.651
  271   2HB   ARG  35          1HB       ARG  35  -0.727  14.014  14.014
  272   1HG   ARG  35          2HG       ARG  35  -0.444  12.228  12.228
  273   2HG   ARG  35          1HG       ARG  35   1.274  12.312  12.312
  274   1HD   ARG  35          2HD       ARG  35   1.078  13.930  13.930
  275   2HD   ARG  35          1HD       ARG  35   0.931  14.931  14.931
  276    HE   ARG  35           HE       ARG  35  -1.613  13.867  13.867
  277   1HH1  ARG  35          2HH2      ARG  35   0.646  16.596  16.596
  278   2HH1  ARG  35          1HH2      ARG  35  -0.533  17.749  17.749
  279    HH2  ARG  35          1HH       ARG  35  -2.769  17.016  17.016
  280    H    ASP  36           H        ASP  36   0.890  12.100  12.100
  281    HA   ASP  36           HA       ASP  36   2.022   9.730   9.730
  282   1HB   ASP  36          2HB       ASP  36   2.513  11.255  11.255
  283   2HB   ASP  36          1HB       ASP  36   3.022  12.510  12.510
  284    HD1  ASP  36          2HD       ASP  36   6.271  11.519  11.519
  285    H    GLY  37           H        GLY  37   3.819   8.583   8.583
  286   1HA   GLY  37          1HA       GLY  37   5.752   8.341   8.341
  287   2HA   GLY  37          2HA       GLY  37   5.565   9.959   9.959
  288    H    ALA  38           H        ALA  38   2.575   9.356   9.356
  289    HA   ALA  38           HA       ALA  38   2.706   8.850   8.850
  290   1HB   ALA  38          2HB       ALA  38   0.588   8.395   8.395
  291   2HB   ALA  38          3HB       ALA  38   0.279   7.957   7.957
  292   3HB   ALA  38          1HB       ALA  38   0.665   9.641   9.641
  293    H    LYS  39           H        LYS  39   3.464   7.167   7.167
  294    HA   LYS  39           HA       LYS  39   4.176   4.739   4.739
  295   1HB   LYS  39          2HB       LYS  39   5.228   5.700   5.700
  296   2HB   LYS  39          1HB       LYS  39   3.757   5.422   5.422
  297   1HG   LYS  39          2HG       LYS  39   4.685   3.007   3.007
  298   2HG   LYS  39          1HG       LYS  39   5.867   3.608   3.608
  299   1HD   LYS  39          2HD       LYS  39   2.943   2.995   2.995
  300   2HD   LYS  39          1HD       LYS  39   4.306   1.975   1.975
  301   1HE   LYS  39          2HE       LYS  39   4.518   3.139   3.139
  302   2HE   LYS  39          1HE       LYS  39   5.000   4.538   4.538
  303   1HZ   LYS  39          1HZ       LYS  39   2.489   4.917   4.917
  304   2HZ   LYS  39          2HZ       LYS  39   2.283   3.863   3.863
  305    H    CYS  40           H        CYS  40   3.262   2.619   2.619
  306    HA   CYS  40           HA       CYS  40   0.636   2.389   2.389
  307   1HB   CYS  40          2HB       CYS  40   0.105   1.323   1.323
  308   2HB   CYS  40          1HB       CYS  40  -0.509   2.836   2.836
  309    H    GLU  41           H        GLU  41  -0.127  -0.025  -0.025
  310    HA   GLU  41           HA       GLU  41   2.165  -1.739  -1.739
  311   1HB   GLU  41          2HB       GLU  41   0.860  -2.957  -2.957
  312   2HB   GLU  41          1HB       GLU  41   2.407  -2.137  -2.137
  313   1HG   GLU  41          2HG       GLU  41  -0.244  -0.660  -0.660
  314   2HG   GLU  41          1HG       GLU  41   0.634  -1.317  -1.317
  315    HE1  GLU  41          2HE       GLU  41   3.261  -0.061  -0.061
  316    H    PHE  42           H        PHE  42   1.622  -3.481  -3.481
  317    HA   PHE  42           HA       PHE  42  -1.210  -3.822  -3.822
  318   1HB   PHE  42          2HB       PHE  42   0.423  -3.557  -3.557
  319   2HB   PHE  42          1HB       PHE  42   1.436  -4.826  -4.826
  320    HD1  PHE  42          2HD       PHE  42  -2.243  -4.681  -4.681
  321    HD2  PHE  42          1HD       PHE  42   1.452  -6.582  -6.582
  322    HE1  PHE  42          2HE       PHE  42  -3.443  -6.374  -6.374
  323    HE2  PHE  42          1HE       PHE  42   0.252  -8.275  -8.275
  324    HZ   PHE  42           HZ       PHE  42  -2.181  -8.151  -8.151
  325    H    ASP  43           H        ASP  43  -2.346  -5.343  -5.343
  326    HA   ASP  43           HA       ASP  43  -0.982  -7.286  -7.286
  327   1HB   ASP  43          2HB       ASP  43  -3.292  -6.146  -6.146
  328   2HB   ASP  43          1HB       ASP  43  -3.942  -7.308  -7.308
  329    HD1  ASP  43          2HD       ASP  43  -1.742  -7.679  -7.679
  330    H    SER  44           H        SER  44  -0.611  -9.480  -9.480
  331    HA   SER  44           HA       SER  44  -1.440 -10.219 -10.219
  332   1HB   SER  44          2HB       SER  44   0.495 -11.472 -11.472
  333   2HB   SER  44          1HB       SER  44   1.044 -10.271 -10.271
  334    HG   SER  44           HG       SER  44   1.514 -12.531 -12.531
  335    H    TYR  45           H        TYR  45  -3.015 -10.301 -10.301
  336    HA   TYR  45           HA       TYR  45  -3.542 -13.193 -13.193
  337   1HB   TYR  45          2HB       TYR  45  -4.653 -11.221 -11.221
  338   2HB   TYR  45          1HB       TYR  45  -4.020 -12.828 -12.828
  339    HD1  TYR  45           HD1      TYR  45  -1.308 -12.455 -12.455
  340    HD2  TYR  45           HD2      TYR  45  -3.489 -10.010 -10.010
  341    HE1  TYR  45           HE1      TYR  45   0.868 -11.439 -11.439
  342    HE2  TYR  45           HE2      TYR  45  -1.304  -9.003  -9.003
  343    HH   TYR  45           HH       TYR  45   1.748 -10.337 -10.337
  344    H    LYS  46           H        LYS  46  -4.737 -10.108 -10.108
  345    HA   LYS  46           HA       LYS  46  -7.377 -11.327 -11.327
  346   1HB   LYS  46          2HB       LYS  46  -6.930  -8.409  -8.409
  347   2HB   LYS  46          1HB       LYS  46  -8.461  -9.244  -9.244
  348   1HG   LYS  46          2HG       LYS  46  -7.035 -10.778 -10.778
  349   2HG   LYS  46          1HG       LYS  46  -6.662  -9.117  -9.117
  350   1HD   LYS  46          2HD       LYS  46  -8.866  -8.599  -8.599
  351   2HD   LYS  46          1HD       LYS  46  -9.535  -9.718  -9.718
  352   1HE   LYS  46          2HE       LYS  46 -10.013 -10.918 -10.918
  353   2HE   LYS  46          1HE       LYS  46  -8.404 -11.546 -11.546
  354   1HZ   LYS  46          1HZ       LYS  46  -9.236 -10.161 -10.161
  355   2HZ   LYS  46          2HZ       LYS  46  -7.708 -10.604 -10.604
  356    H    GLY  47           H        GLY  47  -5.093  -8.692  -8.692
  357   1HA   GLY  47          1HA       GLY  47  -4.302  -8.617  -8.617
  358   2HA   GLY  47          2HA       GLY  47  -5.819  -9.298  -9.298
  359    H    LYS  48           H        LYS  48  -5.817  -6.830  -6.830
  360    HA   LYS  48           HA       LYS  48  -6.987  -4.973  -4.973
  361   1HB   LYS  48          2HB       LYS  48  -7.466  -5.419  -5.419
  362   2HB   LYS  48          1HB       LYS  48  -7.931  -3.923  -3.923
  363   1HG   LYS  48          2HG       LYS  48  -9.871  -5.018  -5.018
  364   2HG   LYS  48          1HG       LYS  48  -8.940  -5.768  -5.768
  365   1HD   LYS  48          2HD       LYS  48  -9.903  -7.616  -7.616
  366   2HD   LYS  48          1HD       LYS  48  -8.270  -7.562  -7.562
  367   1HE   LYS  48          2HE       LYS  48  -9.933  -7.862  -7.862
  368   2HE   LYS  48          1HE       LYS  48  -9.046  -6.363  -6.363
  369   1HZ   LYS  48          1HZ       LYS  48 -11.534  -6.182  -6.182
  370   2HZ   LYS  48          2HZ       LYS  48 -10.899  -5.136  -5.136
  371    H    CYS  49           H        CYS  49  -6.683  -2.554  -2.554
  372    HA   CYS  49           HA       CYS  49  -3.808  -2.321  -2.321
  373   1HB   CYS  49          2HB       CYS  49  -3.881  -1.201  -1.201
  374   2HB   CYS  49          1HB       CYS  49  -5.621  -1.001  -1.001
  375    H    TYR  50           H        TYR  50  -3.645  -2.085  -2.085
  376    HA   TYR  50           HA       TYR  50  -5.663  -0.692  -0.692
  377   1HB   TYR  50          2HB       TYR  50  -3.015  -2.126  -2.126
  378   2HB   TYR  50          1HB       TYR  50  -3.475  -1.017  -1.017
  379    HD1  TYR  50           HD2      TYR  50  -6.204  -2.657  -2.657
  380    HD2  TYR  50           HD1      TYR  50  -3.473  -3.012  -3.012
  381    HE1  TYR  50           HE2      TYR  50  -7.671  -4.455  -4.455
  382    HE2  TYR  50           HE1      TYR  50  -4.950  -4.809  -4.809
  383    HH   TYR  50           HH       TYR  50  -7.330  -5.445  -5.445
  384    H    CYS  51           H        CYS  51  -5.061   1.191   1.191
  385    HA   CYS  51           HA       CYS  51  -2.813   2.754   2.754
  386   1HB   CYS  51          2HB       CYS  51  -5.181   3.915   3.915
  387   2HB   CYS  51          1HB       CYS  51  -3.472   4.212   4.212

  Start of MODEL   24
    1    H    ALA   1           H        ALA   1   1.942 -11.692 -11.692
    2    HA   ALA   1           HA       ALA   1   4.401 -10.848 -10.848
    3   1HB   ALA   1          2HB       ALA   1   2.164 -12.572 -12.572
    4   2HB   ALA   1          3HB       ALA   1   2.901 -11.761 -11.761
    5   3HB   ALA   1          1HB       ALA   1   3.905 -12.756 -12.756
    6    H    THR   2           H        THR   2   2.454  -8.639  -8.639
    7    HA   THR   2           HA       THR   2   1.492  -7.397  -7.397
    8    HB   THR   2           HB       THR   2   2.447  -5.764  -5.764
    9    HG1  THR   2          1HG       THR   2   0.302  -7.762  -7.762
   10   1HG2  THR   2          1HG2      THR   2   0.694  -5.115  -5.115
   11   2HG2  THR   2          2HG2      THR   2  -0.404  -6.189  -6.189
   12   3HG2  THR   2          3HG2      THR   2   0.295  -4.760  -4.760
   13    H    TYR   3           H        TYR   3   2.277  -5.715  -5.715
   14    HA   TYR   3           HA       TYR   3   5.214  -5.517  -5.517
   15   1HB   TYR   3          2HB       TYR   3   3.118  -5.354  -5.354
   16   2HB   TYR   3          1HB       TYR   3   4.841  -5.162  -5.162
   17    HD1  TYR   3           HD2      TYR   3   2.156  -7.566  -7.566
   18    HD2  TYR   3           HD1      TYR   3   6.339  -7.083  -7.083
   19    HE1  TYR   3           HE2      TYR   3   2.391 -10.074 -10.074
   20    HE2  TYR   3           HE1      TYR   3   6.560  -9.592  -9.592
   21    HH   TYR   3           HH       TYR   3   5.426 -11.464 -11.464
   22    H    ASN   4           H        ASN   4   5.942  -3.537  -3.537
   23    HA   ASN   4           HA       ASN   4   4.097  -1.352  -1.352
   24   1HB   ASN   4          2HB       ASN   4   7.012  -0.989  -0.989
   25   2HB   ASN   4          1HB       ASN   4   5.601  -0.262  -0.262
   26   1HD2  ASN   4          2HD2      ASN   4   4.758  -3.624  -3.624
   27   2HD2  ASN   4          1HD2      ASN   4   4.067  -2.656  -2.656
   28    H    GLY   5           H        GLY   5   4.638   0.716   0.716
   29   1HA   GLY   5          1HA       GLY   5   6.874   0.910   0.910
   30   2HA   GLY   5          2HA       GLY   5   5.433   0.442   0.442
   31    H    LYS   6           H        LYS   6   4.607   2.223   2.223
   32    HA   LYS   6           HA       LYS   6   3.947   4.497   4.497
   33   1HB   LYS   6          2HB       LYS   6   5.669   4.759   4.759
   34   2HB   LYS   6          1HB       LYS   6   4.928   6.096   6.096
   35   1HG   LYS   6          2HG       LYS   6   6.181   5.510   5.510
   36   2HG   LYS   6          1HG       LYS   6   6.872   4.108   4.108
   37   1HD   LYS   6          2HD       LYS   6   7.653   5.942   5.942
   38   2HD   LYS   6          1HD       LYS   6   7.474   7.032   7.032
   39   1HE   LYS   6          2HE       LYS   6   9.019   4.442   4.442
   40   2HE   LYS   6          1HE       LYS   6   9.792   5.823   5.823
   41   1HZ   LYS   6          1HZ       LYS   6  10.227   6.089   6.089
   42   2HZ   LYS   6          2HZ       LYS   6   8.959   7.090   7.090
   43    H    CYS   7           H        CYS   7   2.399   5.986   5.986
   44    HA   CYS   7           HA       CYS   7   1.044   4.618   4.618
   45   1HB   CYS   7          2HB       CYS   7  -1.146   5.313   5.313
   46   2HB   CYS   7          1HB       CYS   7  -0.315   3.912   3.912
   47    H    TYR   8           H        TYR   8  -0.482   6.203   6.203
   48    HA   TYR   8           HA       TYR   8   0.407   8.977   8.977
   49   1HB   TYR   8          2HB       TYR   8  -0.140   7.449   7.449
   50   2HB   TYR   8          1HB       TYR   8   0.480   9.084   9.084
   51    HD1  TYR   8           HD2      TYR   8   1.358   5.615   5.615
   52    HD2  TYR   8           HD1      TYR   8   2.768   9.414   9.414
   53    HE1  TYR   8           HE2      TYR   8   3.738   4.724   4.724
   54    HE2  TYR   8           HE1      TYR   8   5.144   8.510   8.510
   55    HH   TYR   8           HH       TYR   8   6.131   5.972   5.972
   56    H    LYS   9           H        LYS   9  -1.252  10.401  10.401
   57    HA   LYS   9           HA       LYS   9  -3.880   9.561   9.561
   58   1HB   LYS   9          2HB       LYS   9  -4.370  12.053  12.053
   59   2HB   LYS   9          1HB       LYS   9  -3.294  11.513  11.513
   60   1HG   LYS   9          2HG       LYS   9  -1.811  13.063  13.063
   61   2HG   LYS   9          1HG       LYS   9  -1.536  12.010  12.010
   62   1HD   LYS   9          2HD       LYS   9  -2.129  14.362  14.362
   63   2HD   LYS   9          1HD       LYS   9  -3.227  13.166  13.166
   64   1HE   LYS   9          2HE       LYS   9  -5.000  13.816  13.816
   65   2HE   LYS   9          1HE       LYS   9  -3.948  14.344  14.344
   66   1HZ   LYS   9          1HZ       LYS   9  -3.487  15.948  15.948
   67   2HZ   LYS   9          2HZ       LYS   9  -5.085  15.942  15.942
   68    H    LYS  10           H        LYS  10  -2.254  11.491  11.491
   69    HA   LYS  10           HA       LYS  10  -4.302  11.679  11.679
   70   1HB   LYS  10          2HB       LYS  10  -1.772  12.417  12.417
   71   2HB   LYS  10          1HB       LYS  10  -1.581  10.955  10.955
   72   1HG   LYS  10          2HG       LYS  10  -2.248  12.209  12.209
   73   2HG   LYS  10          1HG       LYS  10  -3.868  12.054  12.054
   74   1HD   LYS  10          2HD       LYS  10  -3.168  14.145  14.145
   75   2HD   LYS  10          1HD       LYS  10  -1.938  14.373  14.373
   76   1HE   LYS  10          2HE       LYS  10  -3.869  15.681  15.681
   77   2HE   LYS  10          1HE       LYS  10  -3.758  14.323  14.323
   78   1HZ   LYS  10          1HZ       LYS  10  -5.589  14.530  14.530
   79   2HZ   LYS  10          2HZ       LYS  10  -6.018  14.512  14.512
   80    H    ASP  11           H        ASP  11  -1.811   9.097   9.097
   81    HA   ASP  11           HA       ASP  11  -3.508   7.588   7.588
   82   1HB   ASP  11          2HB       ASP  11  -0.860   7.296   7.296
   83   2HB   ASP  11          1HB       ASP  11  -1.700   5.765   5.765
   84    HD1  ASP  11          2HD       ASP  11  -2.092   5.995   5.995
   85    H    ASN  12           H        ASN  12  -3.466   8.160   8.160
   86    HA   ASN  12           HA       ASN  12  -4.208   7.095   7.095
   87   1HB   ASN  12          2HB       ASN  12  -6.291   7.920   7.920
   88   2HB   ASN  12          1HB       ASN  12  -6.480   6.310   6.310
   89   1HD2  ASN  12          2HD2      ASN  12  -8.700   5.914   5.914
   90   2HD2  ASN  12          1HD2      ASN  12  -8.541   6.329   6.329
   91    H    ILE  13           H        ILE  13  -2.372   5.392   5.392
   92    HA   ILE  13           HA       ILE  13  -3.616   2.770   2.770
   93    HB   ILE  13           HB       ILE  13  -1.741   1.960   1.960
   94   1HG1  ILE  13          2HG1      ILE  13  -1.197   3.901   3.901
   95   2HG1  ILE  13          3HG1      ILE  13  -1.445   4.926   4.926
   96   1HG2  ILE  13          2HG2      ILE  13  -4.338   2.748   2.748
   97   2HG2  ILE  13          3HG2      ILE  13  -3.412   3.579   3.579
   98   3HG2  ILE  13          1HG2      ILE  13  -3.294   1.812   1.812
   99   1HD1  ILE  13          3HD1      ILE  13   0.168   3.344   3.344
  100   2HD1  ILE  13          1HD1      ILE  13   0.580   2.682   2.682
  101   3HD1  ILE  13          2HD1      ILE  13   0.885   4.399   4.399
  102    H    CYS  14           H        CYS  14  -1.923   1.069   1.069
  103    HA   CYS  14           HA       CYS  14  -0.147   2.376   2.376
  104   1HB   CYS  14          2HB       CYS  14  -1.565   1.381   1.381
  105   2HB   CYS  14          1HB       CYS  14  -2.091   0.171   0.171
  106    H    LYS  15           H        LYS  15   1.973   2.098   2.098
  107    HA   LYS  15           HA       LYS  15   2.595  -0.197  -0.197
  108   1HB   LYS  15          2HB       LYS  15   3.924   2.475   2.475
  109   2HB   LYS  15          1HB       LYS  15   4.776   1.149   1.149
  110   1HG   LYS  15          2HG       LYS  15   2.781   0.967   0.967
  111   2HG   LYS  15          1HG       LYS  15   2.204   2.480   2.480
  112   1HD   LYS  15          2HD       LYS  15   4.413   3.549   3.549
  113   2HD   LYS  15          1HD       LYS  15   4.913   2.043   2.043
  114   1HE   LYS  15          2HE       LYS  15   3.714   2.466   2.466
  115   2HE   LYS  15          1HE       LYS  15   2.269   2.851   2.851
  116   1HZ   LYS  15          1HZ       LYS  15   4.383   4.666   4.666
  117   2HZ   LYS  15          2HZ       LYS  15   2.772   4.900   4.900
  118    H    TYR  16           H        TYR  16   4.035  -1.795  -1.795
  119    HA   TYR  16           HA       TYR  16   5.634  -1.450  -1.450
  120   1HB   TYR  16          2HB       TYR  16   4.457  -3.321  -3.321
  121   2HB   TYR  16          1HB       TYR  16   3.324  -2.025  -2.025
  122    HD1  TYR  16           HD1      TYR  16   1.848  -2.240  -2.240
  123    HD2  TYR  16           HD2      TYR  16   3.988  -5.511  -5.511
  124    HE1  TYR  16           HE1      TYR  16   0.316  -3.885  -3.885
  125    HE2  TYR  16           HE2      TYR  16   2.449  -7.144  -7.144
  126    HH   TYR  16           HH       TYR  16   0.688  -6.438  -6.438
  127    H    LYS  17           H        LYS  17   6.968  -3.452  -3.452
  128    HA   LYS  17           HA       LYS  17   7.984  -4.417  -4.417
  129   1HB   LYS  17          2HB       LYS  17   8.517  -5.077  -5.077
  130   2HB   LYS  17          1HB       LYS  17   9.339  -5.905  -5.905
  131   1HG   LYS  17          2HG       LYS  17   9.284  -2.916  -2.916
  132   2HG   LYS  17          1HG       LYS  17  10.241  -3.577  -3.577
  133   1HD   LYS  17          2HD       LYS  17  11.612  -4.871  -4.871
  134   2HD   LYS  17          1HD       LYS  17  10.520  -4.585  -4.585
  135   1HE   LYS  17          2HE       LYS  17  11.207  -1.992  -1.992
  136   2HE   LYS  17          1HE       LYS  17  12.704  -2.895  -2.895
  137   1HZ   LYS  17          1HZ       LYS  17  12.266  -1.886  -1.886
  138   2HZ   LYS  17          2HZ       LYS  17  12.530  -3.492  -3.492
  139    H    ALA  18           H        ALA  18   8.218  -6.784  -6.784
  140    HA   ALA  18           HA       ALA  18   5.759  -8.214  -8.214
  141   1HB   ALA  18          2HB       ALA  18   6.602  -7.262  -7.262
  142   2HB   ALA  18          3HB       ALA  18   6.783  -9.033  -9.033
  143   3HB   ALA  18          1HB       ALA  18   5.208  -8.303  -8.303
  144    H    GLN  19           H        GLN  19   8.169  -8.367  -8.367
  145    HA   GLN  19           HA       GLN  19   9.447  -9.874  -9.874
  146   1HB   GLN  19          2HB       GLN  19   7.855 -11.582 -11.582
  147   2HB   GLN  19          1HB       GLN  19   7.705 -11.660 -11.660
  148   1HG   GLN  19          2HG       GLN  19   9.732 -12.898 -12.898
  149   2HG   GLN  19          1HG       GLN  19  10.314 -12.443 -12.443
  150   1HE2  GLN  19          2HE2      GLN  19   9.339 -15.555 -15.555
  151   2HE2  GLN  19          1HE2      GLN  19  10.593 -14.400 -14.400
  152    H    SER  20           H        SER  20   9.173 -10.726 -10.726
  153    HA   SER  20           HA       SER  20  11.977 -11.229 -11.229
  154   1HB   SER  20          2HB       SER  20   9.660 -11.838 -11.838
  155   2HB   SER  20          1HB       SER  20  10.831 -11.037 -11.037
  156    HG   SER  20           HG       SER  20  12.399 -12.659 -12.659
  157    H    GLY  21           H        GLY  21  10.380  -8.425  -8.425
  158   1HA   GLY  21          1HA       GLY  21  11.206  -6.307  -6.307
  159   2HA   GLY  21          2HA       GLY  21  12.423  -6.890  -6.890
  160    H    LYS  22           H        LYS  22   9.851  -8.405  -8.405
  161    HA   LYS  22           HA       LYS  22   9.621  -6.979  -6.979
  162   1HB   LYS  22          2HB       LYS  22   7.906  -8.921  -8.921
  163   2HB   LYS  22          1HB       LYS  22   7.094  -7.970  -7.970
  164   1HG   LYS  22          2HG       LYS  22   9.104  -8.575  -8.575
  165   2HG   LYS  22          1HG       LYS  22   9.517  -9.779  -9.779
  166   1HD   LYS  22          2HD       LYS  22   6.802 -10.245 -10.245
  167   2HD   LYS  22          1HD       LYS  22   7.269  -9.746  -9.746
  168   1HE   LYS  22          2HE       LYS  22   8.082 -11.835 -11.835
  169   2HE   LYS  22          1HE       LYS  22   9.333 -11.504 -11.504
  170   1HZ   LYS  22          1HZ       LYS  22   6.893 -13.045 -13.045
  171   2HZ   LYS  22          2HZ       LYS  22   8.333 -13.234 -13.234
  172    H    THR  23           H        THR  23   8.260  -6.191  -6.191
  173    HA   THR  23           HA       THR  23   6.937  -4.526  -4.526
  174    HB   THR  23           HB       THR  23   9.047  -3.440  -3.440
  175    HG1  THR  23          1HG       THR  23   9.573  -3.171  -3.171
  176   1HG2  THR  23          1HG2      THR  23   6.584  -1.811  -1.811
  177   2HG2  THR  23          2HG2      THR  23   8.162  -1.071  -1.071
  178   3HG2  THR  23          3HG2      THR  23   7.288  -1.966  -1.966
  179    H    ALA  24           H        ALA  24   4.819  -4.955  -4.955
  180    HA   ALA  24           HA       ALA  24   3.779  -4.271  -4.271
  181   1HB   ALA  24          2HB       ALA  24   3.291  -6.423  -6.423
  182   2HB   ALA  24          3HB       ALA  24   1.789  -5.616  -5.616
  183   3HB   ALA  24          1HB       ALA  24   2.876  -6.329  -6.329
  184    H    ILE  25           H        ILE  25   1.304  -3.541  -3.541
  185    HA   ILE  25           HA       ILE  25   1.317  -1.452  -1.452
  186    HB   ILE  25           HB       ILE  25  -0.140  -1.331  -1.331
  187   1HG1  ILE  25          2HG1      ILE  25   2.664  -0.355  -0.355
  188   2HG1  ILE  25          3HG1      ILE  25   2.226  -1.623  -1.623
  189   1HG2  ILE  25          3HG2      ILE  25   0.639   0.741   0.741
  190   2HG2  ILE  25          1HG2      ILE  25  -0.050   1.116   1.116
  191   3HG2  ILE  25          2HG2      ILE  25  -0.999   0.182   0.182
  192   1HD1  ILE  25          3HD1      ILE  25   0.789   0.113   0.113
  193   2HD1  ILE  25          1HD1      ILE  25   1.563   1.342   1.342
  194   3HD1  ILE  25          2HD1      ILE  25   2.549   0.365   0.365
  195    H    CYS  26           H        CYS  26  -0.821  -0.868  -0.868
  196    HA   CYS  26           HA       CYS  26  -2.805  -2.973  -2.973
  197   1HB   CYS  26          2HB       CYS  26  -1.597  -3.730  -3.730
  198   2HB   CYS  26          1HB       CYS  26  -1.573  -2.129  -2.129
  199    H    LYS  27           H        LYS  27  -4.415  -1.694  -1.694
  200    HA   LYS  27           HA       LYS  27  -4.763   0.957   0.957
  201   1HB   LYS  27          2HB       LYS  27  -7.073  -0.997  -0.997
  202   2HB   LYS  27          1HB       LYS  27  -7.046   0.603   0.603
  203   1HG   LYS  27          2HG       LYS  27  -4.922  -0.545  -0.545
  204   2HG   LYS  27          1HG       LYS  27  -5.918  -1.961  -1.961
  205   1HD   LYS  27          2HD       LYS  27  -7.514  -1.280  -1.280
  206   2HD   LYS  27          1HD       LYS  27  -7.477   0.378   0.378
  207   1HE   LYS  27          2HE       LYS  27  -5.458   0.850   0.850
  208   2HE   LYS  27          1HE       LYS  27  -5.293  -0.838  -0.838
  209   1HZ   LYS  27          1HZ       LYS  27  -6.397   0.065   0.065
  210   2HZ   LYS  27          2HZ       LYS  27  -7.667  -0.502  -0.502
  211    H    CYS  28           H        CYS  28  -5.945   2.454   2.454
  212    HA   CYS  28           HA       CYS  28  -5.823   1.734   1.734
  213   1HB   CYS  28          2HB       CYS  28  -5.782   4.175   4.175
  214   2HB   CYS  28          1HB       CYS  28  -6.915   4.302   4.302
  215    H    TYR  29           H        TYR  29  -7.593   1.136   1.136
  216    HA   TYR  29           HA       TYR  29 -10.244   1.613   1.613
  217   1HB   TYR  29          2HB       TYR  29  -9.284  -0.787  -0.787
  218   2HB   TYR  29          1HB       TYR  29  -9.176  -0.792  -0.792
  219    HD1  TYR  29           HD2      TYR  29 -11.961   0.596   0.596
  220    HD2  TYR  29           HD1      TYR  29 -10.675  -2.527  -2.527
  221    HE1  TYR  29           HE2      TYR  29 -14.347  -0.271  -0.271
  222    HE2  TYR  29           HE1      TYR  29 -13.064  -3.384  -3.384
  223    HH   TYR  29           HH       TYR  29 -15.091  -3.300  -3.300
  224    H    VAL  30           H        VAL  30 -11.982   1.920   1.920
  225    HA   VAL  30           HA       VAL  30 -12.925   2.502   2.502
  226    HB   VAL  30           HB       VAL  30 -10.418   1.893   1.893
  227   1HG1  VAL  30          3HG1      VAL  30 -13.288   2.244   2.244
  228   2HG1  VAL  30          1HG1      VAL  30 -12.560   0.821   0.821
  229   3HG1  VAL  30          2HG1      VAL  30 -11.874   2.439   2.439
  230   1HG2  VAL  30          2HG2      VAL  30 -12.004   0.011   0.011
  231   2HG2  VAL  30          3HG2      VAL  30 -10.354  -0.138  -0.138
  232   3HG2  VAL  30          1HG2      VAL  30 -11.756  -0.491  -0.491
  233    H    LYS  31           H        LYS  31  -9.429   3.351   3.351
  234    HA   LYS  31           HA       LYS  31 -10.279   6.162   6.162
  235   1HB   LYS  31          2HB       LYS  31  -8.689   4.667   4.667
  236   2HB   LYS  31          1HB       LYS  31  -8.225   6.319   6.319
  237   1HG   LYS  31          2HG       LYS  31 -10.174   7.210   7.210
  238   2HG   LYS  31          1HG       LYS  31 -11.161   5.861   5.861
  239   1HD   LYS  31          2HD       LYS  31  -9.529   4.630   4.630
  240   2HD   LYS  31          1HD       LYS  31  -9.671   6.236   6.236
  241   1HE   LYS  31          2HE       LYS  31 -11.901   5.974   5.974
  242   2HE   LYS  31          1HE       LYS  31 -12.245   5.133   5.133
  243   1HZ   LYS  31          1HZ       LYS  31 -11.255   3.124   3.124
  244   2HZ   LYS  31          2HZ       LYS  31 -10.885   3.901   3.901
  245    H    LYS  32           H        LYS  32  -9.317   7.294   7.294
  246    HA   LYS  32           HA       LYS  32  -7.420   6.114   6.114
  247   1HB   LYS  32          2HB       LYS  32  -7.681   9.085   9.085
  248   2HB   LYS  32          1HB       LYS  32  -7.633   8.006   8.006
  249   1HG   LYS  32          2HG       LYS  32  -9.971   8.612   8.612
  250   2HG   LYS  32          1HG       LYS  32  -9.897   8.743   8.743
  251   1HD   LYS  32          2HD       LYS  32  -9.304   6.007   6.007
  252   2HD   LYS  32          1HD       LYS  32 -10.727   6.481   6.481
  253   1HE   LYS  32          2HE       LYS  32 -10.865   7.469   7.469
  254   2HE   LYS  32          1HE       LYS  32 -10.629   5.733   5.733
  255   1HZ   LYS  32          1HZ       LYS  32 -13.023   6.778   6.778
  256   2HZ   LYS  32          2HZ       LYS  32 -12.644   5.414   5.414
  257    H    CYS  33           H        CYS  33  -5.333   7.742   7.742
  258    HA   CYS  33           HA       CYS  33  -3.709   7.290   7.290
  259   1HB   CYS  33          2HB       CYS  33  -2.559   6.678   6.678
  260   2HB   CYS  33          1HB       CYS  33  -3.241   7.955   7.955
  261    HA   PRO  34           HA       PRO  34  -3.930  11.428  11.428
  262   1HB   PRO  34          2HB       PRO  34  -1.710  11.563  11.563
  263   2HB   PRO  34          1HB       PRO  34  -3.221  10.851  10.851
  264   1HG   PRO  34          2HG       PRO  34  -0.715   9.501   9.501
  265   2HG   PRO  34          1HG       PRO  34  -2.064   8.859   8.859
  266   1HD   PRO  34          2HD       PRO  34  -1.467   8.352   8.352
  267   2HD   PRO  34          1HD       PRO  34  -2.877   7.804   7.804
  268    H    ARG  35           H        ARG  35  -0.771  10.431  10.431
  269    HA   ARG  35           HA       ARG  35  -0.766  12.507  12.507
  270   1HB   ARG  35          2HB       ARG  35   1.223  13.786  13.786
  271   2HB   ARG  35          1HB       ARG  35  -0.266  14.011  14.011
  272   1HG   ARG  35          2HG       ARG  35   0.784  11.798  11.798
  273   2HG   ARG  35          1HG       ARG  35   2.250  12.638  12.638
  274   1HD   ARG  35          2HD       ARG  35   1.842  14.429  14.429
  275   2HD   ARG  35          1HD       ARG  35   0.109  14.372  14.372
  276    HE   ARG  35           HE       ARG  35  -0.097  12.809  12.809
  277   1HH1  ARG  35          2HH2      ARG  35   3.321  13.339  13.339
  278   2HH1  ARG  35          1HH2      ARG  35   3.894  12.528  12.528
  279    HH2  ARG  35          1HH       ARG  35   2.311  11.596  11.596
  280    H    ASP  36           H        ASP  36   1.094  12.319  12.319
  281    HA   ASP  36           HA       ASP  36   1.972   9.862   9.862
  282   1HB   ASP  36          2HB       ASP  36   2.823  11.076  11.076
  283   2HB   ASP  36          1HB       ASP  36   2.714  12.550  12.550
  284    HD2  ASP  36          2HD       ASP  36   5.006  11.226  11.226
  285    H    GLY  37           H        GLY  37   3.655   8.485   8.485
  286   1HA   GLY  37          1HA       GLY  37   5.634   7.971   7.971
  287   2HA   GLY  37          2HA       GLY  37   5.691   9.572   9.572
  288    H    ALA  38           H        ALA  38   2.696   9.289   9.289
  289    HA   ALA  38           HA       ALA  38   2.898   8.753   8.753
  290   1HB   ALA  38          1HB       ALA  38   0.655   8.243   8.243
  291   2HB   ALA  38          2HB       ALA  38   0.439   7.990   7.990
  292   3HB   ALA  38          3HB       ALA  38   0.857   9.605   9.605
  293    H    LYS  39           H        LYS  39   3.599   7.064   7.064
  294    HA   LYS  39           HA       LYS  39   4.171   4.582   4.582
  295   1HB   LYS  39          2HB       LYS  39   5.414   5.566   5.566
  296   2HB   LYS  39          1HB       LYS  39   4.016   5.342   5.342
  297   1HG   LYS  39          2HG       LYS  39   4.205   2.811   2.811
  298   2HG   LYS  39          1HG       LYS  39   5.882   3.279   3.279
  299   1HD   LYS  39          2HD       LYS  39   5.748   2.341   2.341
  300   2HD   LYS  39          1HD       LYS  39   5.854   4.074   4.074
  301   1HE   LYS  39          2HE       LYS  39   3.104   2.857   2.857
  302   2HE   LYS  39          1HE       LYS  39   3.984   2.587   2.587
  303   1HZ   LYS  39          1HZ       LYS  39   2.866   4.595   4.595
  304   2HZ   LYS  39          2HZ       LYS  39   4.345   5.128   5.128
  305    H    CYS  40           H        CYS  40   3.175   2.523   2.523
  306    HA   CYS  40           HA       CYS  40   0.686   2.380   2.380
  307   1HB   CYS  40          2HB       CYS  40  -0.421   3.233   3.233
  308   2HB   CYS  40          1HB       CYS  40   0.757   2.647   2.647
  309    H    GLU  41           H        GLU  41  -0.135   0.054   0.054
  310    HA   GLU  41           HA       GLU  41   2.051  -1.735  -1.735
  311   1HB   GLU  41          2HB       GLU  41   0.768  -3.061  -3.061
  312   2HB   GLU  41          1HB       GLU  41   2.249  -2.138  -2.138
  313   1HG   GLU  41          2HG       GLU  41  -0.488  -0.822  -0.822
  314   2HG   GLU  41          1HG       GLU  41   0.296  -1.562  -1.562
  315    HE2  GLU  41          2HE       GLU  41   0.863   1.764   1.764
  316    H    PHE  42           H        PHE  42   1.484  -3.515  -3.515
  317    HA   PHE  42           HA       PHE  42  -1.347  -3.705  -3.705
  318   1HB   PHE  42          2HB       PHE  42   0.181  -3.476  -3.476
  319   2HB   PHE  42          1HB       PHE  42   1.334  -4.592  -4.592
  320    HD1  PHE  42          2HD       PHE  42  -2.164  -4.513  -4.513
  321    HD2  PHE  42          1HD       PHE  42   1.383  -6.779  -6.779
  322    HE1  PHE  42          2HE       PHE  42  -3.158  -6.387  -6.387
  323    HE2  PHE  42          1HE       PHE  42   0.389  -8.653  -8.653
  324    HZ   PHE  42           HZ       PHE  42  -1.869  -8.435  -8.435
  325    H    ASP  43           H        ASP  43  -2.537  -5.188  -5.188
  326    HA   ASP  43           HA       ASP  43  -1.347  -7.166  -7.166
  327   1HB   ASP  43          2HB       ASP  43  -3.704  -6.098  -6.098
  328   2HB   ASP  43          1HB       ASP  43  -4.197  -7.213  -7.213
  329    HD1  ASP  43          2HD       ASP  43  -3.558  -6.833  -6.833
  330    H    SER  44           H        SER  44  -0.785  -9.311  -9.311
  331    HA   SER  44           HA       SER  44  -1.233 -10.055 -10.055
  332   1HB   SER  44          2HB       SER  44   0.749 -11.193 -11.193
  333   2HB   SER  44          1HB       SER  44   1.036 -10.156 -10.156
  334    HG   SER  44           HG       SER  44   0.874 -11.835 -11.835
  335    H    TYR  45           H        TYR  45  -3.143 -10.192 -10.192
  336    HA   TYR  45           HA       TYR  45  -3.730 -13.066 -13.066
  337   1HB   TYR  45          2HB       TYR  45  -5.061 -11.218 -11.218
  338   2HB   TYR  45          1HB       TYR  45  -4.410 -12.820 -12.820
  339    HD1  TYR  45           HD1      TYR  45  -1.582 -12.379 -12.379
  340    HD2  TYR  45           HD2      TYR  45  -4.121  -9.985  -9.985
  341    HE1  TYR  45           HE1      TYR  45   0.460 -11.349 -11.349
  342    HE2  TYR  45           HE2      TYR  45  -2.071  -8.963  -8.963
  343    HH   TYR  45           HH       TYR  45   0.233  -9.534  -9.534
  344    H    LYS  46           H        LYS  46  -4.866  -9.798  -9.798
  345    HA   LYS  46           HA       LYS  46  -7.409 -10.971 -10.971
  346   1HB   LYS  46          2HB       LYS  46  -7.109  -8.105  -8.105
  347   2HB   LYS  46          1HB       LYS  46  -8.577  -9.031  -9.031
  348   1HG   LYS  46          2HG       LYS  46  -7.146 -10.557 -10.557
  349   2HG   LYS  46          1HG       LYS  46  -6.804  -8.905  -8.905
  350   1HD   LYS  46          2HD       LYS  46  -9.556 -10.176 -10.176
  351   2HD   LYS  46          1HD       LYS  46  -8.828  -9.645  -9.645
  352   1HE   LYS  46          2HE       LYS  46  -8.689  -7.310  -7.310
  353   2HE   LYS  46          1HE       LYS  46 -10.114  -8.024  -8.024
  354   1HZ   LYS  46          1HZ       LYS  46 -10.201  -6.645  -6.645
  355   2HZ   LYS  46          2HZ       LYS  46 -11.281  -7.815  -7.815
  356    H    GLY  47           H        GLY  47  -5.228  -8.094  -8.094
  357   1HA   GLY  47          1HA       GLY  47  -4.126  -7.915  -7.915
  358   2HA   GLY  47          2HA       GLY  47  -5.615  -8.453  -8.453
  359    H    LYS  48           H        LYS  48  -6.128  -6.430  -6.430
  360    HA   LYS  48           HA       LYS  48  -7.181  -4.369  -4.369
  361   1HB   LYS  48          2HB       LYS  48  -7.335  -5.147  -5.147
  362   2HB   LYS  48          1HB       LYS  48  -7.424  -3.424  -3.424
  363   1HG   LYS  48          2HG       LYS  48  -9.182  -3.997  -3.997
  364   2HG   LYS  48          1HG       LYS  48  -9.227  -5.603  -5.603
  365   1HD   LYS  48          2HD       LYS  48  -9.536  -4.206  -4.206
  366   2HD   LYS  48          1HD       LYS  48 -10.148  -2.990  -2.990
  367   1HE   LYS  48          2HE       LYS  48 -12.136  -4.082  -4.082
  368   2HE   LYS  48          1HE       LYS  48 -11.353  -5.414  -5.414
  369   1HZ   LYS  48          1HZ       LYS  48 -11.471  -6.641  -6.641
  370   2HZ   LYS  48          2HZ       LYS  48 -10.790  -5.489  -5.489
  371    H    CYS  49           H        CYS  49  -6.651  -2.026  -2.026
  372    HA   CYS  49           HA       CYS  49  -3.740  -1.844  -1.844
  373   1HB   CYS  49          2HB       CYS  49  -3.967  -0.979  -0.979
  374   2HB   CYS  49          1HB       CYS  49  -5.626  -0.476  -0.476
  375    H    TYR  50           H        TYR  50  -3.579  -1.517  -1.517
  376    HA   TYR  50           HA       TYR  50  -5.461   0.140   0.140
  377   1HB   TYR  50          2HB       TYR  50  -2.854  -1.371  -1.371
  378   2HB   TYR  50          1HB       TYR  50  -3.417  -0.254  -0.254
  379    HD1  TYR  50           HD2      TYR  50  -6.143  -1.738  -1.738
  380    HD2  TYR  50           HD1      TYR  50  -3.356  -2.438  -2.438
  381    HE1  TYR  50           HE2      TYR  50  -7.662  -3.543  -3.543
  382    HE2  TYR  50           HE1      TYR  50  -4.884  -4.241  -4.241
  383    HH   TYR  50           HH       TYR  50  -7.758  -5.258  -5.258
  384    H    CYS  51           H        CYS  51  -4.679   1.814   1.814
  385    HA   CYS  51           HA       CYS  51  -2.320   3.216   3.216
  386   1HB   CYS  51          2HB       CYS  51  -4.787   4.507   4.507
  387   2HB   CYS  51          1HB       CYS  51  -3.107   4.787   4.787

  Start of MODEL   25
    1    H    ALA   1           H        ALA   1   2.202 -11.142 -11.142
    2    HA   ALA   1           HA       ALA   1   3.929 -10.891 -10.891
    3   1HB   ALA   1          2HB       ALA   1   2.068 -12.131 -12.131
    4   2HB   ALA   1          3HB       ALA   1   3.788 -11.770 -11.770
    5   3HB   ALA   1          1HB       ALA   1   3.321 -12.963 -12.963
    6    H    THR   2           H        THR   2   2.399  -8.710  -8.710
    7    HA   THR   2           HA       THR   2   1.456  -7.256  -7.256
    8    HB   THR   2           HB       THR   2   2.398  -5.852  -5.852
    9    HG1  THR   2          1HG       THR   2   1.584  -7.579  -7.579
   10   1HG2  THR   2          2HG2      THR   2   0.564  -5.235  -5.235
   11   2HG2  THR   2          3HG2      THR   2  -0.487  -6.081  -6.081
   12   3HG2  THR   2          1HG2      THR   2   0.432  -4.647  -4.647
   13    H    TYR   3           H        TYR   3   2.400  -5.794  -5.794
   14    HA   TYR   3           HA       TYR   3   5.324  -5.633  -5.633
   15   1HB   TYR   3          2HB       TYR   3   3.433  -5.055  -5.055
   16   2HB   TYR   3          1HB       TYR   3   5.167  -5.290  -5.290
   17    HD1  TYR   3           HD2      TYR   3   1.919  -6.979  -6.979
   18    HD2  TYR   3           HD1      TYR   3   6.141  -7.516  -7.516
   19    HE1  TYR   3           HE2      TYR   3   1.565  -9.456  -9.456
   20    HE2  TYR   3           HE1      TYR   3   5.773  -9.991  -9.991
   21    HH   TYR   3           HH       TYR   3   3.919 -11.683 -11.683
   22    H    ASN   4           H        ASN   4   6.069  -3.744  -3.744
   23    HA   ASN   4           HA       ASN   4   4.393  -1.503  -1.503
   24   1HB   ASN   4          2HB       ASN   4   7.418  -1.345  -1.345
   25   2HB   ASN   4          1HB       ASN   4   6.207  -0.483  -0.483
   26   1HD2  ASN   4          2HD2      ASN   4   5.375  -3.230  -3.230
   27   2HD2  ASN   4          1HD2      ASN   4   4.685  -1.906  -1.906
   28    H    GLY   5           H        GLY   5   5.117   0.731   0.731
   29   1HA   GLY   5          1HA       GLY   5   6.933   1.134   1.134
   30   2HA   GLY   5          2HA       GLY   5   5.510   0.515   0.515
   31    H    LYS   6           H        LYS   6   4.908   2.447   2.447
   32    HA   LYS   6           HA       LYS   6   3.851   4.481   4.481
   33   1HB   LYS   6          2HB       LYS   6   5.467   5.095   5.095
   34   2HB   LYS   6          1HB       LYS   6   4.705   6.264   6.264
   35   1HG   LYS   6          2HG       LYS   6   6.152   5.648   5.648
   36   2HG   LYS   6          1HG       LYS   6   6.770   4.253   4.253
   37   1HD   LYS   6          2HD       LYS   6   7.605   5.945   5.945
   38   2HD   LYS   6          1HD       LYS   6   7.277   7.192   7.192
   39   1HE   LYS   6          2HE       LYS   6   8.739   5.817   5.817
   40   2HE   LYS   6          1HE       LYS   6   9.231   4.865   4.865
   41   1HZ   LYS   6          1HZ       LYS   6  10.653   6.886   6.886
   42   2HZ   LYS   6          2HZ       LYS   6  10.238   6.743   6.743
   43    H    CYS   7           H        CYS   7   2.166   5.862   5.862
   44    HA   CYS   7           HA       CYS   7   0.859   4.307   4.307
   45   1HB   CYS   7          2HB       CYS   7  -1.274   5.402   5.402
   46   2HB   CYS   7          1HB       CYS   7  -0.607   3.914   3.914
   47    H    TYR   8           H        TYR   8  -0.627   5.739   5.739
   48    HA   TYR   8           HA       TYR   8   0.475   8.466   8.466
   49   1HB   TYR   8          2HB       TYR   8  -0.409   6.403   6.403
   50   2HB   TYR   8          1HB       TYR   8  -0.074   8.073   8.073
   51    HD1  TYR   8           HD2      TYR   8   1.590   5.235   5.235
   52    HD2  TYR   8           HD1      TYR   8   2.031   8.557   8.557
   53    HE1  TYR   8           HE2      TYR   8   4.050   4.672   4.672
   54    HE2  TYR   8           HE1      TYR   8   4.490   7.982   7.982
   55    HH   TYR   8           HH       TYR   8   5.883   5.894   5.894
   56    H    LYS   9           H        LYS   9  -0.975  10.155  10.155
   57    HA   LYS   9           HA       LYS   9  -3.740   9.463   9.463
   58   1HB   LYS   9          2HB       LYS   9  -4.027  11.852  11.852
   59   2HB   LYS   9          1HB       LYS   9  -2.695  11.210  11.210
   60   1HG   LYS   9          2HG       LYS   9  -1.065  12.079  12.079
   61   2HG   LYS   9          1HG       LYS   9  -2.370  12.643  12.643
   62   1HD   LYS   9          2HD       LYS   9  -2.393  13.595  13.595
   63   2HD   LYS   9          1HD       LYS   9  -1.129  14.237  14.237
   64   1HE   LYS   9          2HE       LYS   9  -3.273  14.515  14.515
   65   2HE   LYS   9          1HE       LYS   9  -4.092  14.658  14.658
   66   1HZ   LYS   9          1HZ       LYS   9  -1.632  16.214  16.214
   67   2HZ   LYS   9          2HZ       LYS   9  -3.024  16.755  16.755
   68    H    LYS  10           H        LYS  10  -1.740  11.196  11.196
   69    HA   LYS  10           HA       LYS  10  -3.853  11.834  11.834
   70   1HB   LYS  10          2HB       LYS  10  -1.028  12.085  12.085
   71   2HB   LYS  10          1HB       LYS  10  -1.437  11.310  11.310
   72   1HG   LYS  10          2HG       LYS  10  -2.902  13.099  13.099
   73   2HG   LYS  10          1HG       LYS  10  -2.971  13.750  13.750
   74   1HD   LYS  10          2HD       LYS  10  -1.439  15.220  15.220
   75   2HD   LYS  10          1HD       LYS  10  -0.342  14.027  14.027
   76   1HE   LYS  10          2HE       LYS  10   0.315  13.283  13.283
   77   2HE   LYS  10          1HE       LYS  10  -1.313  13.335  13.335
   78   1HZ   LYS  10          1HZ       LYS  10   0.583  15.099  15.099
   79   2HZ   LYS  10          2HZ       LYS  10  -1.005  15.450  15.450
   80    H    ASP  11           H        ASP  11  -2.260   8.784   8.784
   81    HA   ASP  11           HA       ASP  11  -3.601   7.632   7.632
   82   1HB   ASP  11          2HB       ASP  11  -1.171   6.864   6.864
   83   2HB   ASP  11          1HB       ASP  11  -2.070   5.590   5.590
   84    HD1  ASP  11          2HD       ASP  11  -1.547   7.314   7.314
   85    H    ASN  12           H        ASN  12  -3.668   8.057   8.057
   86    HA   ASN  12           HA       ASN  12  -4.686   7.096   7.096
   87   1HB   ASN  12          2HB       ASN  12  -6.724   7.822   7.822
   88   2HB   ASN  12          1HB       ASN  12  -6.635   6.562   6.562
   89   1HD2  ASN  12          2HD2      ASN  12  -7.822   5.664   5.664
   90   2HD2  ASN  12          1HD2      ASN  12  -6.754   6.983   6.983
   91    H    ILE  13           H        ILE  13  -2.680   5.442   5.442
   92    HA   ILE  13           HA       ILE  13  -3.866   2.787   2.787
   93    HB   ILE  13           HB       ILE  13  -1.917   1.988   1.988
   94   1HG1  ILE  13          2HG1      ILE  13  -1.475   3.791   3.791
   95   2HG1  ILE  13          3HG1      ILE  13  -1.898   4.940   4.940
   96   1HG2  ILE  13          2HG2      ILE  13  -4.587   2.823   2.823
   97   2HG2  ILE  13          3HG2      ILE  13  -3.557   3.176   3.176
   98   3HG2  ILE  13          1HG2      ILE  13  -3.626   1.525   1.525
   99   1HD1  ILE  13          1HD1      ILE  13   0.219   2.766   2.766
  100   2HD1  ILE  13          2HD1      ILE  13   0.568   4.456   4.456
  101   3HD1  ILE  13          3HD1      ILE  13  -0.145   4.074   4.074
  102    H    CYS  14           H        CYS  14  -1.831   1.195   1.195
  103    HA   CYS  14           HA       CYS  14  -0.149   2.627   2.627
  104   1HB   CYS  14          2HB       CYS  14  -1.739   1.761   1.761
  105   2HB   CYS  14          1HB       CYS  14  -1.957   0.293   0.293
  106    H    LYS  15           H        LYS  15   1.925   2.308   2.308
  107    HA   LYS  15           HA       LYS  15   2.473  -0.114  -0.114
  108   1HB   LYS  15          2HB       LYS  15   3.820   2.565   2.565
  109   2HB   LYS  15          1HB       LYS  15   4.709   1.189   1.189
  110   1HG   LYS  15          2HG       LYS  15   2.715   0.847   0.847
  111   2HG   LYS  15          1HG       LYS  15   2.184   2.445   2.445
  112   1HD   LYS  15          2HD       LYS  15   4.608   3.227   3.227
  113   2HD   LYS  15          1HD       LYS  15   4.775   1.685   1.685
  114   1HE   LYS  15          2HE       LYS  15   2.733   2.216   2.216
  115   2HE   LYS  15          1HE       LYS  15   2.625   3.777   3.777
  116   1HZ   LYS  15          1HZ       LYS  15   5.244   3.278   3.278
  117   2HZ   LYS  15          2HZ       LYS  15   4.101   3.251   3.251
  118    H    TYR  16           H        TYR  16   4.610  -1.240  -1.240
  119    HA   TYR  16           HA       TYR  16   5.924  -0.948  -0.948
  120   1HB   TYR  16          2HB       TYR  16   4.880  -2.899  -2.899
  121   2HB   TYR  16          1HB       TYR  16   3.655  -1.691  -1.691
  122    HD1  TYR  16           HD2      TYR  16   4.910  -5.036  -5.036
  123    HD2  TYR  16           HD1      TYR  16   1.887  -2.104  -2.104
  124    HE1  TYR  16           HE2      TYR  16   3.505  -6.783  -6.783
  125    HE2  TYR  16           HE1      TYR  16   0.492  -3.860  -3.860
  126    HH   TYR  16           HH       TYR  16   1.733  -7.157  -7.157
  127    H    LYS  17           H        LYS  17   7.336  -2.925  -2.925
  128    HA   LYS  17           HA       LYS  17   8.370  -3.855  -3.855
  129   1HB   LYS  17          2HB       LYS  17   9.285  -3.546  -3.546
  130   2HB   LYS  17          1HB       LYS  17   9.627  -5.175  -5.175
  131   1HG   LYS  17          2HG       LYS  17  10.489  -3.994  -3.994
  132   2HG   LYS  17          1HG       LYS  17  10.546  -2.550  -2.550
  133   1HD   LYS  17          2HD       LYS  17  11.986  -3.785  -3.785
  134   2HD   LYS  17          1HD       LYS  17  11.973  -5.183  -5.183
  135   1HE   LYS  17          2HE       LYS  17  12.918  -3.640  -3.640
  136   2HE   LYS  17          1HE       LYS  17  13.161  -2.438  -2.438
  137   1HZ   LYS  17          1HZ       LYS  17  15.163  -3.724  -3.724
  138   2HZ   LYS  17          2HZ       LYS  17  14.504  -4.150  -4.150
  139    H    ALA  18           H        ALA  18   7.926  -5.732  -5.732
  140    HA   ALA  18           HA       ALA  18   5.839  -7.371  -7.371
  141   1HB   ALA  18          1HB       ALA  18   7.138  -6.867  -6.867
  142   2HB   ALA  18          2HB       ALA  18   7.620  -8.539  -8.539
  143   3HB   ALA  18          3HB       ALA  18   5.895  -8.112  -8.112
  144    H    GLN  19           H        GLN  19   5.896  -9.581  -9.581
  145    HA   GLN  19           HA       GLN  19   7.552 -10.134 -10.134
  146   1HB   GLN  19          2HB       GLN  19   5.593 -11.489 -11.489
  147   2HB   GLN  19          1HB       GLN  19   6.217 -12.047 -12.047
  148   1HG   GLN  19          2HG       GLN  19   8.012 -12.585 -12.585
  149   2HG   GLN  19          1HG       GLN  19   6.470 -13.416 -13.416
  150   1HE2  GLN  19          2HE2      GLN  19   8.793 -15.659 -15.659
  151   2HE2  GLN  19          1HE2      GLN  19   8.595 -14.952 -14.952
  152    H    SER  20           H        SER  20   8.188 -10.633 -10.633
  153    HA   SER  20           HA       SER  20  10.485 -12.197 -12.197
  154   1HB   SER  20          2HB       SER  20   8.945 -11.188 -11.188
  155   2HB   SER  20          1HB       SER  20  10.624 -10.774 -10.774
  156    HG   SER  20           HG       SER  20  11.092 -12.836 -12.836
  157    H    GLY  21           H        GLY  21   9.909  -8.698  -8.698
  158   1HA   GLY  21          1HA       GLY  21  11.649  -7.457  -7.457
  159   2HA   GLY  21          2HA       GLY  21  12.745  -8.112  -8.112
  160    H    LYS  22           H        LYS  22  10.357  -7.941  -7.941
  161    HA   LYS  22           HA       LYS  22  11.147  -5.522  -5.522
  162   1HB   LYS  22          2HB       LYS  22  10.194  -7.568  -7.568
  163   2HB   LYS  22          1HB       LYS  22   8.611  -7.077  -7.077
  164   1HG   LYS  22          2HG       LYS  22   9.542  -4.709  -4.709
  165   2HG   LYS  22          1HG       LYS  22  10.305  -5.889  -5.889
  166   1HD   LYS  22          2HD       LYS  22   7.869  -6.990  -6.990
  167   2HD   LYS  22          1HD       LYS  22   7.359  -5.384  -5.384
  168   1HE   LYS  22          2HE       LYS  22   9.287  -5.547  -5.547
  169   2HE   LYS  22          1HE       LYS  22   7.660  -6.123  -6.123
  170   1HZ   LYS  22          1HZ       LYS  22   8.499  -3.406  -3.406
  171   2HZ   LYS  22          2HZ       LYS  22   7.517  -3.851  -3.851
  172    H    THR  23           H        THR  23   7.839  -5.341  -5.341
  173    HA   THR  23           HA       THR  23   7.184  -3.961  -3.961
  174    HB   THR  23           HB       THR  23   8.014  -2.441  -2.441
  175    HG1  THR  23          1HG       THR  23   8.273  -2.043  -2.043
  176   1HG2  THR  23          2HG2      THR  23   5.658  -1.720  -1.720
  177   2HG2  THR  23          3HG2      THR  23   6.458  -1.262  -1.262
  178   3HG2  THR  23          1HG2      THR  23   6.913  -0.458  -0.458
  179    H    ALA  24           H        ALA  24   5.006  -3.879  -3.879
  180    HA   ALA  24           HA       ALA  24   3.371  -4.452  -4.452
  181   1HB   ALA  24          3HB       ALA  24   3.543  -5.903  -5.903
  182   2HB   ALA  24          1HB       ALA  24   1.976  -5.806  -5.806
  183   3HB   ALA  24          2HB       ALA  24   3.372  -6.557  -6.557
  184    H    ILE  25           H        ILE  25   1.470  -3.271  -3.271
  185    HA   ILE  25           HA       ILE  25   1.163  -1.242  -1.242
  186    HB   ILE  25           HB       ILE  25  -0.232  -1.257  -1.257
  187   1HG1  ILE  25          2HG1      ILE  25   1.957   0.343   0.343
  188   2HG1  ILE  25          3HG1      ILE  25   2.664  -0.978  -0.978
  189   1HG2  ILE  25          3HG2      ILE  25   0.457   0.765   0.765
  190   2HG2  ILE  25          1HG2      ILE  25   0.235   1.280   1.280
  191   3HG2  ILE  25          2HG2      ILE  25  -1.089   0.459   0.459
  192   1HD1  ILE  25          1HD1      ILE  25   0.748  -1.721  -1.721
  193   2HD1  ILE  25          2HD1      ILE  25   2.342  -1.093  -1.093
  194   3HD1  ILE  25          3HD1      ILE  25   2.230  -2.546  -2.546
  195    H    CYS  26           H        CYS  26  -0.881  -0.835  -0.835
  196    HA   CYS  26           HA       CYS  26  -2.901  -2.877  -2.877
  197   1HB   CYS  26          2HB       CYS  26  -1.484  -3.638  -3.638
  198   2HB   CYS  26          1HB       CYS  26  -1.882  -2.170  -2.170
  199    H    LYS  27           H        LYS  27  -4.449  -1.467  -1.467
  200    HA   LYS  27           HA       LYS  27  -4.763   1.157   1.157
  201   1HB   LYS  27          2HB       LYS  27  -7.115  -0.744  -0.744
  202   2HB   LYS  27          1HB       LYS  27  -7.036   0.906   0.906
  203   1HG   LYS  27          2HG       LYS  27  -6.422   0.067   0.067
  204   2HG   LYS  27          1HG       LYS  27  -4.879  -0.349  -0.349
  205   1HD   LYS  27          2HD       LYS  27  -6.725  -2.387  -2.387
  206   2HD   LYS  27          1HD       LYS  27  -7.000  -2.119  -2.119
  207   1HE   LYS  27          2HE       LYS  27  -4.123  -2.190  -2.190
  208   2HE   LYS  27          1HE       LYS  27  -4.956  -3.680  -3.680
  209   1HZ   LYS  27          1HZ       LYS  27  -5.906  -3.463  -3.463
  210   2HZ   LYS  27          2HZ       LYS  27  -4.696  -2.408  -2.408
  211    H    CYS  28           H        CYS  28  -5.842   2.565   2.565
  212    HA   CYS  28           HA       CYS  28  -5.946   1.476   1.476
  213   1HB   CYS  28          2HB       CYS  28  -5.898   4.276   4.276
  214   2HB   CYS  28          1HB       CYS  28  -6.285   3.960   3.960
  215    H    TYR  29           H        TYR  29  -7.883   1.087   1.087
  216    HA   TYR  29           HA       TYR  29 -10.316   1.969   1.969
  217   1HB   TYR  29          2HB       TYR  29 -11.171  -0.163  -0.163
  218   2HB   TYR  29          1HB       TYR  29  -9.470  -0.565  -0.565
  219    HD1  TYR  29           HD1      TYR  29  -8.063  -0.431  -0.431
  220    HD2  TYR  29           HD2      TYR  29 -12.340  -0.540  -0.540
  221    HE1  TYR  29           HE1      TYR  29  -8.084  -1.213  -1.213
  222    HE2  TYR  29           HE2      TYR  29 -12.346  -1.322  -1.322
  223    HH   TYR  29           HH       TYR  29  -9.372  -1.445  -1.445
  224    H    VAL  30           H        VAL  30 -11.776   3.239   3.239
  225    HA   VAL  30           HA       VAL  30 -12.683   4.463   4.463
  226    HB   VAL  30           HB       VAL  30 -11.537   2.289   2.289
  227   1HG1  VAL  30          1HG1      VAL  30 -13.118   4.740   4.740
  228   2HG1  VAL  30          2HG1      VAL  30 -13.497   3.225   3.225
  229   3HG1  VAL  30          3HG1      VAL  30 -11.852   3.901   3.901
  230   1HG2  VAL  30          3HG2      VAL  30 -14.131   2.705   2.705
  231   2HG2  VAL  30          1HG2      VAL  30 -13.143   1.235   1.235
  232   3HG2  VAL  30          2HG2      VAL  30 -14.129   1.810   1.810
  233    H    LYS  31           H        LYS  31  -9.799   3.361   3.361
  234    HA   LYS  31           HA       LYS  31  -9.178   6.030   6.030
  235   1HB   LYS  31          2HB       LYS  31  -8.347   3.350   3.350
  236   2HB   LYS  31          1HB       LYS  31  -6.948   4.383   4.383
  237   1HG   LYS  31          2HG       LYS  31  -7.710   5.954   5.954
  238   2HG   LYS  31          1HG       LYS  31  -9.352   5.344   5.344
  239   1HD   LYS  31          2HD       LYS  31  -7.060   3.553   3.553
  240   2HD   LYS  31          1HD       LYS  31  -7.816   4.660   4.660
  241   1HE   LYS  31          2HE       LYS  31 -10.080   3.572   3.572
  242   2HE   LYS  31          1HE       LYS  31  -9.025   2.262   2.262
  243   1HZ   LYS  31          1HZ       LYS  31  -9.777   1.834   1.834
  244   2HZ   LYS  31          2HZ       LYS  31  -8.198   2.211   2.211
  245    H    LYS  32           H        LYS  32  -9.319   6.636   6.636
  246    HA   LYS  32           HA       LYS  32  -7.467   5.956   5.956
  247   1HB   LYS  32          2HB       LYS  32  -8.868   7.413   7.413
  248   2HB   LYS  32          1HB       LYS  32  -9.199   8.251   8.251
  249   1HG   LYS  32          2HG       LYS  32  -7.014   9.462   9.462
  250   2HG   LYS  32          1HG       LYS  32  -6.689   8.627   8.627
  251   1HD   LYS  32          2HD       LYS  32  -7.659  10.963  10.963
  252   2HD   LYS  32          1HD       LYS  32  -8.541   9.706   9.706
  253   1HE   LYS  32          2HE       LYS  32 -10.325   9.712   9.712
  254   2HE   LYS  32          1HE       LYS  32  -9.355  10.473  10.473
  255   1HZ   LYS  32          1HZ       LYS  32  -9.671  12.048  12.048
  256   2HZ   LYS  32          2HZ       LYS  32 -11.047  11.824  11.824
  257    H    CYS  33           H        CYS  33  -5.483   7.153   7.153
  258    HA   CYS  33           HA       CYS  33  -3.617   7.208   7.208
  259   1HB   CYS  33          2HB       CYS  33  -2.938   6.486   6.486
  260   2HB   CYS  33          1HB       CYS  33  -3.444   7.994   7.994
  261    HA   PRO  34           HA       PRO  34  -4.124  11.409  11.409
  262   1HB   PRO  34          2HB       PRO  34  -1.939  11.718  11.718
  263   2HB   PRO  34          1HB       PRO  34  -3.442  11.004  11.004
  264   1HG   PRO  34          2HG       PRO  34  -0.887   9.670   9.670
  265   2HG   PRO  34          1HG       PRO  34  -2.236   9.058   9.058
  266   1HD   PRO  34          2HD       PRO  34  -1.571   8.371   8.371
  267   2HD   PRO  34          1HD       PRO  34  -2.984   7.850   7.850
  268    H    ARG  35           H        ARG  35  -1.120  10.295  10.295
  269    HA   ARG  35           HA       ARG  35  -1.053  12.184  12.184
  270   1HB   ARG  35          2HB       ARG  35   0.955  13.603  13.603
  271   2HB   ARG  35          1HB       ARG  35  -0.691  14.047  14.047
  272   1HG   ARG  35          2HG       ARG  35  -0.553  12.911  12.911
  273   2HG   ARG  35          1HG       ARG  35   0.981  12.174  12.174
  274   1HD   ARG  35          2HD       ARG  35   2.004  13.956  13.956
  275   2HD   ARG  35          1HD       ARG  35   1.447  14.928  14.928
  276    HE   ARG  35           HE       ARG  35  -0.678  14.649  14.649
  277   1HH1  ARG  35          2HH2      ARG  35   2.408  16.328  16.328
  278   2HH1  ARG  35          1HH2      ARG  35   1.987  17.650  17.650
  279    HH2  ARG  35          1HH       ARG  35  -0.158  17.667  17.667
  280    H    ASP  36           H        ASP  36   0.670  11.700  11.700
  281    HA   ASP  36           HA       ASP  36   1.838   9.352   9.352
  282   1HB   ASP  36          2HB       ASP  36   3.339  11.858  11.858
  283   2HB   ASP  36          1HB       ASP  36   3.540  10.241  10.241
  284    HD1  ASP  36          2HD       ASP  36   1.112  12.989  12.989
  285    H    GLY  37           H        GLY  37   3.602   8.321   8.321
  286   1HA   GLY  37          1HA       GLY  37   5.693   8.311   8.311
  287   2HA   GLY  37          2HA       GLY  37   5.472   9.980   9.980
  288    H    ALA  38           H        ALA  38   2.494   9.086   9.086
  289    HA   ALA  38           HA       ALA  38   2.863   8.897   8.897
  290   1HB   ALA  38          1HB       ALA  38   0.557   8.191   8.191
  291   2HB   ALA  38          2HB       ALA  38   0.426   8.134   8.134
  292   3HB   ALA  38          3HB       ALA  38   0.784   9.675   9.675
  293    H    LYS  39           H        LYS  39   3.586   7.271   7.271
  294    HA   LYS  39           HA       LYS  39   4.277   4.784   4.784
  295   1HB   LYS  39          2HB       LYS  39   5.340   5.897   5.897
  296   2HB   LYS  39          1HB       LYS  39   3.905   5.558   5.558
  297   1HG   LYS  39          2HG       LYS  39   4.310   3.056   3.056
  298   2HG   LYS  39          1HG       LYS  39   5.950   3.624   3.624
  299   1HD   LYS  39          2HD       LYS  39   5.752   4.549   4.549
  300   2HD   LYS  39          1HD       LYS  39   4.383   3.464   3.464
  301   1HE   LYS  39          2HE       LYS  39   5.732   1.641   1.641
  302   2HE   LYS  39          1HE       LYS  39   6.649   2.083   2.083
  303   1HZ   LYS  39          1HZ       LYS  39   7.491   2.301   2.301
  304   2HZ   LYS  39          2HZ       LYS  39   8.287   2.839   2.839
  305    H    CYS  40           H        CYS  40   3.378   2.668   2.668
  306    HA   CYS  40           HA       CYS  40   0.875   2.387   2.387
  307   1HB   CYS  40          2HB       CYS  40  -0.274   1.601   1.601
  308   2HB   CYS  40          1HB       CYS  40  -0.273   3.300   3.300
  309    H    GLU  41           H        GLU  41  -0.015   0.007   0.007
  310    HA   GLU  41           HA       GLU  41   2.254  -1.639  -1.639
  311   1HB   GLU  41          2HB       GLU  41   1.361  -3.219  -3.219
  312   2HB   GLU  41          1HB       GLU  41   2.581  -1.993  -1.993
  313   1HG   GLU  41          2HG       GLU  41   1.021  -0.482  -0.482
  314   2HG   GLU  41          1HG       GLU  41  -0.359  -1.291  -1.291
  315    HE2  GLU  41          2HE       GLU  41  -0.828  -1.084  -1.084
  316    H    PHE  42           H        PHE  42   1.659  -3.553  -3.553
  317    HA   PHE  42           HA       PHE  42  -1.158  -3.627  -3.627
  318   1HB   PHE  42          2HB       PHE  42   0.538  -3.550  -3.550
  319   2HB   PHE  42          1HB       PHE  42   1.466  -4.832  -4.832
  320    HD1  PHE  42          2HD       PHE  42  -2.158  -4.524  -4.524
  321    HD2  PHE  42          1HD       PHE  42   1.459  -6.684  -6.684
  322    HE1  PHE  42          2HE       PHE  42  -3.367  -6.222  -6.222
  323    HE2  PHE  42          1HE       PHE  42   0.251  -8.381  -8.381
  324    HZ   PHE  42           HZ       PHE  42  -2.148  -8.130  -8.130
  325    H    ASP  43           H        ASP  43  -2.447  -4.955  -4.955
  326    HA   ASP  43           HA       ASP  43  -1.383  -6.973  -6.973
  327   1HB   ASP  43          2HB       ASP  43  -3.905  -5.702  -5.702
  328   2HB   ASP  43          1HB       ASP  43  -4.189  -7.416  -7.416
  329    HD2  ASP  43          2HD       ASP  43  -3.843  -5.164  -5.164
  330    H    SER  44           H        SER  44  -1.262  -9.253  -9.253
  331    HA   SER  44           HA       SER  44  -1.809 -10.016 -10.016
  332   1HB   SER  44          2HB       SER  44  -0.042 -11.546 -11.546
  333   2HB   SER  44          1HB       SER  44   0.543 -10.237 -10.237
  334    HG   SER  44           HG       SER  44  -0.742 -12.667 -12.667
  335    H    TYR  45           H        TYR  45  -2.667 -10.525 -10.525
  336    HA   TYR  45           HA       TYR  45  -3.660 -13.092 -13.092
  337   1HB   TYR  45          2HB       TYR  45  -4.720 -12.315 -12.315
  338   2HB   TYR  45          1HB       TYR  45  -3.424 -11.152 -11.152
  339    HD1  TYR  45           HD1      TYR  45  -4.122  -9.050  -9.050
  340    HD2  TYR  45           HD2      TYR  45  -6.822 -11.478 -11.478
  341    HE1  TYR  45           HE1      TYR  45  -5.825  -7.162  -7.162
  342    HE2  TYR  45           HE2      TYR  45  -8.515  -9.581  -9.581
  343    HH   TYR  45           HH       TYR  45  -7.854  -6.574  -6.574
  344    H    LYS  46           H        LYS  46  -4.840 -10.226 -10.226
  345    HA   LYS  46           HA       LYS  46  -7.038 -11.821 -11.821
  346   1HB   LYS  46          2HB       LYS  46  -8.753 -10.480 -10.480
  347   2HB   LYS  46          1HB       LYS  46  -7.693 -10.303 -10.303
  348   1HG   LYS  46          2HG       LYS  46  -6.833  -8.176  -8.176
  349   2HG   LYS  46          1HG       LYS  46  -7.622  -8.392  -8.392
  350   1HD   LYS  46          2HD       LYS  46  -9.248  -8.331  -8.331
  351   2HD   LYS  46          1HD       LYS  46  -8.756  -6.840  -6.840
  352   1HE   LYS  46          2HE       LYS  46 -10.362  -9.074  -9.074
  353   2HE   LYS  46          1HE       LYS  46 -11.031  -7.569  -7.569
  354   1HZ   LYS  46          1HZ       LYS  46  -9.086  -7.864  -7.864
  355   2HZ   LYS  46          2HZ       LYS  46 -10.612  -7.305  -7.305
  356    H    GLY  47           H        GLY  47  -5.151  -8.741  -8.741
  357   1HA   GLY  47          1HA       GLY  47  -3.923  -8.354  -8.354
  358   2HA   GLY  47          2HA       GLY  47  -5.378  -8.796  -8.796
  359    H    LYS  48           H        LYS  48  -5.911  -7.056  -7.056
  360    HA   LYS  48           HA       LYS  48  -7.131  -4.917  -4.917
  361   1HB   LYS  48          2HB       LYS  48  -7.008  -5.949  -5.949
  362   2HB   LYS  48          1HB       LYS  48  -6.590  -4.249  -4.249
  363   1HG   LYS  48          2HG       LYS  48  -8.647  -3.768  -3.768
  364   2HG   LYS  48          1HG       LYS  48  -9.091  -5.455  -5.455
  365   1HD   LYS  48          2HD       LYS  48  -8.841  -5.015  -5.015
  366   2HD   LYS  48          1HD       LYS  48  -8.936  -3.320  -3.320
  367   1HE   LYS  48          2HE       LYS  48 -11.192  -3.475  -3.475
  368   2HE   LYS  48          1HE       LYS  48 -11.032  -4.662  -4.662
  369   1HZ   LYS  48          1HZ       LYS  48 -10.683  -5.546  -5.546
  370   2HZ   LYS  48          2HZ       LYS  48 -12.195  -5.313  -5.313
  371    H    CYS  49           H        CYS  49  -6.307  -2.631  -2.631
  372    HA   CYS  49           HA       CYS  49  -3.474  -2.382  -2.382
  373   1HB   CYS  49          2HB       CYS  49  -3.968  -1.651  -1.651
  374   2HB   CYS  49          1HB       CYS  49  -5.582  -1.121  -1.121
  375    H    TYR  50           H        TYR  50  -3.335  -2.143  -2.143
  376    HA   TYR  50           HA       TYR  50  -4.991  -0.371  -0.371
  377   1HB   TYR  50          2HB       TYR  50  -2.309  -1.805  -1.805
  378   2HB   TYR  50          1HB       TYR  50  -2.770  -0.646  -0.646
  379    HD1  TYR  50           HD2      TYR  50  -5.394  -2.594  -2.594
  380    HD2  TYR  50           HD1      TYR  50  -2.749  -2.431  -2.431
  381    HE1  TYR  50           HE2      TYR  50  -6.765  -4.383  -4.383
  382    HE2  TYR  50           HE1      TYR  50  -4.130  -4.221  -4.221
  383    HH   TYR  50           HH       TYR  50  -7.178  -5.295  -5.295
  384    H    CYS  51           H        CYS  51  -4.763   1.439   1.439
  385    HA   CYS  51           HA       CYS  51  -2.285   2.882   2.882
  386   1HB   CYS  51          2HB       CYS  51  -4.804   3.922   3.922
  387   2HB   CYS  51          1HB       CYS  51  -3.136   4.282   4.282

  Start of MODEL   26
    1    H    ALA   1           H        ALA   1   3.094 -12.179 -12.179
    2    HA   ALA   1           HA       ALA   1   4.330 -11.393 -11.393
    3   1HB   ALA   1          2HB       ALA   1   2.003 -12.997 -12.997
    4   2HB   ALA   1          3HB       ALA   1   1.759 -12.015 -12.015
    5   3HB   ALA   1          1HB       ALA   1   3.201 -13.047 -13.047
    6    H    THR   2           H        THR   2   3.418  -8.952  -8.952
    7    HA   THR   2           HA       THR   2   1.900  -7.576  -7.576
    8    HB   THR   2           HB       THR   2   2.901  -6.187  -6.187
    9    HG1  THR   2          1HG       THR   2   2.233  -7.980  -7.980
   10   1HG2  THR   2          3HG2      THR   2   1.005  -5.498  -5.498
   11   2HG2  THR   2          1HG2      THR   2   0.005  -6.579  -6.579
   12   3HG2  THR   2          2HG2      THR   2   0.788  -5.159  -5.159
   13    H    TYR   3           H        TYR   3   2.656  -5.836  -5.836
   14    HA   TYR   3           HA       TYR   3   5.584  -5.535  -5.535
   15   1HB   TYR   3          2HB       TYR   3   3.671  -5.097  -5.097
   16   2HB   TYR   3          1HB       TYR   3   5.405  -5.340  -5.340
   17    HD1  TYR   3           HD2      TYR   3   2.205  -7.072  -7.072
   18    HD2  TYR   3           HD1      TYR   3   6.313  -7.503  -7.503
   19    HE1  TYR   3           HE2      TYR   3   1.845  -9.558  -9.558
   20    HE2  TYR   3           HE1      TYR   3   5.939  -9.988  -9.988
   21    HH   TYR   3           HH       TYR   3   4.368 -11.721 -11.721
   22    H    ASN   4           H        ASN   4   6.313  -3.522  -3.522
   23    HA   ASN   4           HA       ASN   4   4.352  -1.431  -1.431
   24   1HB   ASN   4          2HB       ASN   4   7.274  -1.671  -1.671
   25   2HB   ASN   4          1HB       ASN   4   6.434  -0.135  -0.135
   26   1HD2  ASN   4          2HD2      ASN   4   5.033  -3.270  -3.270
   27   2HD2  ASN   4          1HD2      ASN   4   5.663  -3.536  -3.536
   28    H    GLY   5           H        GLY   5   5.016   0.814   0.814
   29   1HA   GLY   5          1HA       GLY   5   7.053   1.181   1.181
   30   2HA   GLY   5          2HA       GLY   5   5.660   0.599   0.599
   31    H    LYS   6           H        LYS   6   4.856   2.403   2.403
   32    HA   LYS   6           HA       LYS   6   3.930   4.545   4.545
   33   1HB   LYS   6          2HB       LYS   6   5.453   5.120   5.120
   34   2HB   LYS   6          1HB       LYS   6   4.835   6.280   6.280
   35   1HG   LYS   6          2HG       LYS   6   6.370   5.435   5.435
   36   2HG   LYS   6          1HG       LYS   6   6.921   4.155   4.155
   37   1HD   LYS   6          2HD       LYS   6   7.571   6.102   6.102
   38   2HD   LYS   6          1HD       LYS   6   7.416   7.142   7.142
   39   1HE   LYS   6          2HE       LYS   6   9.166   5.992   5.992
   40   2HE   LYS   6          1HE       LYS   6   9.121   4.622   4.622
   41   1HZ   LYS   6          1HZ       LYS   6  10.024   7.358   7.358
   42   2HZ   LYS   6          2HZ       LYS   6  10.988   6.061   6.061
   43    H    CYS   7           H        CYS   7   2.347   6.005   6.005
   44    HA   CYS   7           HA       CYS   7   1.046   4.490   4.490
   45   1HB   CYS   7          2HB       CYS   7  -1.170   5.197   5.197
   46   2HB   CYS   7          1HB       CYS   7  -0.322   3.793   3.793
   47    H    TYR   8           H        TYR   8  -0.791   6.051   6.051
   48    HA   TYR   8           HA       TYR   8   0.126   8.830   8.830
   49   1HB   TYR   8          2HB       TYR   8  -0.497   7.111   7.111
   50   2HB   TYR   8          1HB       TYR   8  -0.086   8.814   8.814
   51    HD1  TYR   8           HD2      TYR   8   1.315   5.586   5.586
   52    HD2  TYR   8           HD1      TYR   8   2.116   9.396   9.396
   53    HE1  TYR   8           HE2      TYR   8   3.780   4.991   4.991
   54    HE2  TYR   8           HE1      TYR   8   4.578   8.788   8.788
   55    HH   TYR   8           HH       TYR   8   6.126   7.367   7.367
   56    H    LYS   9           H        LYS   9  -1.524  10.310  10.310
   57    HA   LYS   9           HA       LYS   9  -4.170   9.309   9.309
   58   1HB   LYS   9          2HB       LYS   9  -4.752  11.668  11.668
   59   2HB   LYS   9          1HB       LYS   9  -3.407  11.145  11.145
   60   1HG   LYS   9          2HG       LYS   9  -2.475  13.106  13.106
   61   2HG   LYS   9          1HG       LYS   9  -1.977  12.058  12.058
   62   1HD   LYS   9          2HD       LYS   9  -2.969  13.807  13.807
   63   2HD   LYS   9          1HD       LYS   9  -4.321  12.700  12.700
   64   1HE   LYS   9          2HE       LYS   9  -5.394  13.989  13.989
   65   2HE   LYS   9          1HE       LYS   9  -3.904  14.744  14.744
   66   1HZ   LYS   9          1HZ       LYS   9  -5.381  16.210  16.210
   67   2HZ   LYS   9          2HZ       LYS   9  -3.875  16.086  16.086
   68    H    LYS  10           H        LYS  10  -2.409  11.316  11.316
   69    HA   LYS  10           HA       LYS  10  -4.537  11.769  11.769
   70   1HB   LYS  10          2HB       LYS  10  -2.001  12.560  12.560
   71   2HB   LYS  10          1HB       LYS  10  -1.811  11.260  11.260
   72   1HG   LYS  10          2HG       LYS  10  -4.144  13.120  13.120
   73   2HG   LYS  10          1HG       LYS  10  -2.548  13.761  13.761
   74   1HD   LYS  10          2HD       LYS  10  -3.258  11.052  11.052
   75   2HD   LYS  10          1HD       LYS  10  -3.957  12.471  12.471
   76   1HE   LYS  10          2HE       LYS  10  -1.829  13.357  13.357
   77   2HE   LYS  10          1HE       LYS  10  -0.975  12.371  12.371
   78   1HZ   LYS  10          1HZ       LYS  10  -2.026  11.579  11.579
   79   2HZ   LYS  10          2HZ       LYS  10  -0.608  11.181  11.181
   80    H    ASP  11           H        ASP  11  -2.138   9.042   9.042
   81    HA   ASP  11           HA       ASP  11  -3.683   7.749   7.749
   82   1HB   ASP  11          2HB       ASP  11  -1.218   7.017   7.017
   83   2HB   ASP  11          1HB       ASP  11  -1.985   5.831   5.831
   84    HD2  ASP  11          2HD       ASP  11   0.511   8.254   8.254
   85    H    ASN  12           H        ASN  12  -3.890   8.131   8.131
   86    HA   ASN  12           HA       ASN  12  -4.719   6.980   6.980
   87   1HB   ASN  12          2HB       ASN  12  -6.818   7.628   7.628
   88   2HB   ASN  12          1HB       ASN  12  -6.681   6.409   6.409
   89   1HD2  ASN  12          2HD2      ASN  12  -7.833   5.407   5.407
   90   2HD2  ASN  12          1HD2      ASN  12  -6.913   6.834   6.834
   91    H    ILE  13           H        ILE  13  -2.607   5.490   5.490
   92    HA   ILE  13           HA       ILE  13  -3.613   2.760   2.760
   93    HB   ILE  13           HB       ILE  13  -1.756   2.114   2.114
   94   1HG1  ILE  13          2HG1      ILE  13  -1.403   4.008   4.008
   95   2HG1  ILE  13          3HG1      ILE  13  -1.819   5.094   5.094
   96   1HG2  ILE  13          1HG2      ILE  13  -4.460   2.860   2.860
   97   2HG2  ILE  13          2HG2      ILE  13  -3.543   3.436   3.436
   98   3HG2  ILE  13          3HG2      ILE  13  -3.475   1.720   1.720
   99   1HD1  ILE  13          1HD1      ILE  13   0.369   2.970   2.970
  100   2HD1  ILE  13          2HD1      ILE  13   0.649   4.696   4.696
  101   3HD1  ILE  13          3HD1      ILE  13  -0.008   4.189   4.189
  102    H    CYS  14           H        CYS  14  -1.626   1.241   1.241
  103    HA   CYS  14           HA       CYS  14   0.162   2.720   2.720
  104   1HB   CYS  14          2HB       CYS  14  -1.221   1.802   1.802
  105   2HB   CYS  14          1HB       CYS  14  -1.609   0.400   0.400
  106    H    LYS  15           H        LYS  15   2.293   2.315   2.315
  107    HA   LYS  15           HA       LYS  15   2.811  -0.017  -0.017
  108   1HB   LYS  15          2HB       LYS  15   4.249   2.629   2.629
  109   2HB   LYS  15          1HB       LYS  15   4.928   1.267   1.267
  110   1HG   LYS  15          2HG       LYS  15   2.947   1.220   1.220
  111   2HG   LYS  15          1HG       LYS  15   2.224   2.548   2.548
  112   1HD   LYS  15          2HD       LYS  15   4.257   3.962   3.962
  113   2HD   LYS  15          1HD       LYS  15   4.844   2.643   2.643
  114   1HE   LYS  15          2HE       LYS  15   2.075   3.170   3.170
  115   2HE   LYS  15          1HE       LYS  15   2.957   4.684   4.684
  116   1HZ   LYS  15          1HZ       LYS  15   3.602   3.972   3.972
  117   2HZ   LYS  15          2HZ       LYS  15   4.671   3.020   3.020
  118    H    TYR  16           H        TYR  16   4.120  -1.655  -1.655
  119    HA   TYR  16           HA       TYR  16   5.930  -1.200  -1.200
  120   1HB   TYR  16          2HB       TYR  16   4.777  -2.905  -2.905
  121   2HB   TYR  16          1HB       TYR  16   3.645  -1.622  -1.622
  122    HD1  TYR  16           HD1      TYR  16   1.912  -1.992  -1.992
  123    HD2  TYR  16           HD2      TYR  16   4.373  -5.154  -5.154
  124    HE1  TYR  16           HE1      TYR  16   0.292  -3.709  -3.709
  125    HE2  TYR  16           HE2      TYR  16   2.744  -6.861  -6.861
  126    HH   TYR  16           HH       TYR  16   1.056  -7.138  -7.138
  127    H    LYS  17           H        LYS  17   7.148  -3.293  -3.293
  128    HA   LYS  17           HA       LYS  17   7.872  -4.499  -4.499
  129   1HB   LYS  17          2HB       LYS  17   8.890  -5.297  -5.297
  130   2HB   LYS  17          1HB       LYS  17   9.702  -5.411  -5.411
  131   1HG   LYS  17          2HG       LYS  17   9.002  -2.661  -2.661
  132   2HG   LYS  17          1HG       LYS  17   9.620  -3.169  -3.169
  133   1HD   LYS  17          2HD       LYS  17  11.038  -3.500  -3.500
  134   2HD   LYS  17          1HD       LYS  17  11.461  -2.348  -2.348
  135   1HE   LYS  17          2HE       LYS  17  11.365  -5.302  -5.302
  136   2HE   LYS  17          1HE       LYS  17  12.757  -4.662  -4.662
  137   1HZ   LYS  17          1HZ       LYS  17  13.222  -4.470  -4.470
  138   2HZ   LYS  17          2HZ       LYS  17  12.876  -2.949  -2.949
  139    H    ALA  18           H        ALA  18   7.399  -6.538  -6.538
  140    HA   ALA  18           HA       ALA  18   5.148  -7.825  -7.825
  141   1HB   ALA  18          1HB       ALA  18   6.614  -7.828  -7.828
  142   2HB   ALA  18          2HB       ALA  18   6.220  -9.482  -9.482
  143   3HB   ALA  18          3HB       ALA  18   4.924  -8.277  -8.277
  144    H    GLN  19           H        GLN  19   5.615 -10.540 -10.540
  145    HA   GLN  19           HA       GLN  19   6.912 -11.120 -11.120
  146   1HB   GLN  19          2HB       GLN  19   5.196 -12.453 -12.453
  147   2HB   GLN  19          1HB       GLN  19   6.684 -13.298 -13.298
  148   1HG   GLN  19          2HG       GLN  19   6.821 -14.275 -14.275
  149   2HG   GLN  19          1HG       GLN  19   6.253 -12.839 -12.839
  150   1HE2  GLN  19          2HE2      GLN  19   3.702 -15.820 -15.820
  151   2HE2  GLN  19          1HE2      GLN  19   5.368 -15.750 -15.750
  152    H    SER  20           H        SER  20   8.081 -10.774 -10.774
  153    HA   SER  20           HA       SER  20  10.469 -12.237 -12.237
  154   1HB   SER  20          2HB       SER  20   9.101 -11.086 -11.086
  155   2HB   SER  20          1HB       SER  20  10.735 -10.454 -10.454
  156    HG   SER  20           HG       SER  20  11.291 -12.325 -12.325
  157    H    GLY  21           H        GLY  21   9.318  -8.888  -8.888
  158   1HA   GLY  21          1HA       GLY  21  10.488  -7.486  -7.486
  159   2HA   GLY  21          2HA       GLY  21  12.006  -8.100  -8.100
  160    H    LYS  22           H        LYS  22  10.200  -7.953  -7.953
  161    HA   LYS  22           HA       LYS  22  11.513  -5.654  -5.654
  162   1HB   LYS  22          2HB       LYS  22   9.440  -7.543  -7.543
  163   2HB   LYS  22          1HB       LYS  22   9.773  -6.053  -6.053
  164   1HG   LYS  22          2HG       LYS  22  12.281  -6.697  -6.697
  165   2HG   LYS  22          1HG       LYS  22  11.739  -8.280  -8.280
  166   1HD   LYS  22          2HD       LYS  22  10.889  -6.936  -6.936
  167   2HD   LYS  22          1HD       LYS  22  12.155  -8.140  -8.140
  168   1HE   LYS  22          2HE       LYS  22   9.359  -8.723  -8.723
  169   2HE   LYS  22          1HE       LYS  22   9.735  -8.921  -8.921
  170   1HZ   LYS  22          1HZ       LYS  22  10.591 -10.908 -10.908
  171   2HZ   LYS  22          2HZ       LYS  22  11.791 -10.171 -10.171
  172    H    THR  23           H        THR  23   8.155  -5.669  -5.669
  173    HA   THR  23           HA       THR  23   7.408  -3.682  -3.682
  174    HB   THR  23           HB       THR  23   7.558  -2.999  -2.999
  175    HG1  THR  23          1HG       THR  23   9.672  -2.902  -2.902
  176   1HG2  THR  23          2HG2      THR  23   6.883  -1.410  -1.410
  177   2HG2  THR  23          3HG2      THR  23   7.313  -0.641  -0.641
  178   3HG2  THR  23          1HG2      THR  23   5.848  -1.645  -1.645
  179    H    ALA  24           H        ALA  24   5.083  -2.898  -2.898
  180    HA   ALA  24           HA       ALA  24   3.444  -4.428  -4.428
  181   1HB   ALA  24          1HB       ALA  24   4.295  -5.863  -5.863
  182   2HB   ALA  24          2HB       ALA  24   2.657  -5.299  -5.299
  183   3HB   ALA  24          3HB       ALA  24   2.924  -6.262  -6.262
  184    H    ILE  25           H        ILE  25   1.696  -3.144  -3.144
  185    HA   ILE  25           HA       ILE  25   1.235  -1.027  -1.027
  186    HB   ILE  25           HB       ILE  25  -0.151  -1.238  -1.238
  187   1HG1  ILE  25          2HG1      ILE  25   2.761  -0.547  -0.547
  188   2HG1  ILE  25          3HG1      ILE  25   2.075  -1.728  -1.728
  189   1HG2  ILE  25          1HG2      ILE  25   0.839   1.048   1.048
  190   2HG2  ILE  25          2HG2      ILE  25   0.114   1.239   1.239
  191   3HG2  ILE  25          3HG2      ILE  25  -0.846   0.551   0.551
  192   1HD1  ILE  25          3HD1      ILE  25   0.869   0.209   0.209
  193   2HD1  ILE  25          1HD1      ILE  25   1.863   1.305   1.305
  194   3HD1  ILE  25          2HD1      ILE  25   2.641   0.194   0.194
  195    H    CYS  26           H        CYS  26  -0.592  -0.868  -0.868
  196    HA   CYS  26           HA       CYS  26  -2.674  -2.851  -2.851
  197   1HB   CYS  26          2HB       CYS  26  -1.705  -3.903  -3.903
  198   2HB   CYS  26          1HB       CYS  26  -1.120  -2.417  -2.417
  199    H    LYS  27           H        LYS  27  -4.178  -1.376  -1.376
  200    HA   LYS  27           HA       LYS  27  -4.511   1.222   1.222
  201   1HB   LYS  27          2HB       LYS  27  -6.861  -0.674  -0.674
  202   2HB   LYS  27          1HB       LYS  27  -6.775   0.992   0.992
  203   1HG   LYS  27          2HG       LYS  27  -6.146   0.213   0.213
  204   2HG   LYS  27          1HG       LYS  27  -4.610  -0.228  -0.228
  205   1HD   LYS  27          2HD       LYS  27  -5.698  -2.157  -2.157
  206   2HD   LYS  27          1HD       LYS  27  -5.431  -2.477  -2.477
  207   1HE   LYS  27          2HE       LYS  27  -7.715  -2.319  -2.319
  208   2HE   LYS  27          1HE       LYS  27  -8.074  -1.265  -1.265
  209   1HZ   LYS  27          1HZ       LYS  27  -8.085  -4.128  -4.128
  210   2HZ   LYS  27          2HZ       LYS  27  -8.766  -3.135  -3.135
  211    H    CYS  28           H        CYS  28  -5.563   2.582   2.582
  212    HA   CYS  28           HA       CYS  28  -5.634   1.444   1.444
  213   1HB   CYS  28          2HB       CYS  28  -6.051   4.301   4.301
  214   2HB   CYS  28          1HB       CYS  28  -5.893   3.759   3.759
  215    H    TYR  29           H        TYR  29  -7.518   0.546   0.546
  216    HA   TYR  29           HA       TYR  29 -10.025   1.449   1.449
  217   1HB   TYR  29          2HB       TYR  29  -9.074  -1.029  -1.029
  218   2HB   TYR  29          1HB       TYR  29  -9.457  -0.906  -0.906
  219    HD1  TYR  29           HD2      TYR  29 -11.178  -0.162  -0.162
  220    HD2  TYR  29           HD1      TYR  29 -11.451  -1.884  -1.884
  221    HE1  TYR  29           HE2      TYR  29 -13.567  -0.886  -0.886
  222    HE2  TYR  29           HE1      TYR  29 -13.840  -2.602  -2.602
  223    HH   TYR  29           HH       TYR  29 -15.152  -2.440  -2.440
  224    H    VAL  30           H        VAL  30 -11.483   2.632   2.632
  225    HA   VAL  30           HA       VAL  30 -12.485   3.644   3.644
  226    HB   VAL  30           HB       VAL  30 -11.229   1.770   1.770
  227   1HG1  VAL  30          1HG1      VAL  30 -13.666   3.453   3.453
  228   2HG1  VAL  30          2HG1      VAL  30 -13.878   1.860   1.860
  229   3HG1  VAL  30          3HG1      VAL  30 -12.686   3.010   3.010
  230   1HG2  VAL  30          3HG2      VAL  30 -13.003   1.046   1.046
  231   2HG2  VAL  30          1HG2      VAL  30 -11.769   0.083   0.083
  232   3HG2  VAL  30          2HG2      VAL  30 -13.371   0.322   0.322
  233    H    LYS  31           H        LYS  31  -9.469   2.521   2.521
  234    HA   LYS  31           HA       LYS  31  -9.016   5.155   5.155
  235   1HB   LYS  31          2HB       LYS  31  -8.246   2.546   2.546
  236   2HB   LYS  31          1HB       LYS  31  -6.755   3.339   3.339
  237   1HG   LYS  31          2HG       LYS  31  -7.129   5.154   5.154
  238   2HG   LYS  31          1HG       LYS  31  -8.763   4.611   4.611
  239   1HD   LYS  31          2HD       LYS  31  -7.076   2.360   2.360
  240   2HD   LYS  31          1HD       LYS  31  -6.267   3.736   3.736
  241   1HE   LYS  31          2HE       LYS  31  -8.014   4.157   4.157
  242   2HE   LYS  31          1HE       LYS  31  -9.235   3.460   3.460
  243   1HZ   LYS  31          1HZ       LYS  31  -8.996   1.744   1.744
  244   2HZ   LYS  31          2HZ       LYS  31  -7.774   1.297   1.297
  245    H    LYS  32           H        LYS  32  -9.214   5.895   5.895
  246    HA   LYS  32           HA       LYS  32  -7.299   5.476   5.476
  247   1HB   LYS  32          2HB       LYS  32  -8.782   6.884   6.884
  248   2HB   LYS  32          1HB       LYS  32  -9.225   7.573   7.573
  249   1HG   LYS  32          2HG       LYS  32  -7.196   9.013   9.013
  250   2HG   LYS  32          1HG       LYS  32  -6.692   8.293   8.293
  251   1HD   LYS  32          2HD       LYS  32  -7.881  10.530  10.530
  252   2HD   LYS  32          1HD       LYS  32  -8.571   9.234   9.234
  253   1HE   LYS  32          2HE       LYS  32 -10.456   9.003   9.003
  254   2HE   LYS  32          1HE       LYS  32  -9.644   9.731   9.731
  255   1HZ   LYS  32          1HZ       LYS  32 -10.370  11.742  11.742
  256   2HZ   LYS  32          2HZ       LYS  32  -9.778  11.578  11.578
  257    H    CYS  33           H        CYS  33  -5.382   6.796   6.796
  258    HA   CYS  33           HA       CYS  33  -3.563   6.901   6.901
  259   1HB   CYS  33          2HB       CYS  33  -2.779   6.335   6.335
  260   2HB   CYS  33          1HB       CYS  33  -3.417   7.809   7.809
  261    HA   PRO  34           HA       PRO  34  -4.351  11.001  11.001
  262   1HB   PRO  34          2HB       PRO  34  -2.167  11.414  11.414
  263   2HB   PRO  34          1HB       PRO  34  -3.596  10.556  10.556
  264   1HG   PRO  34          2HG       PRO  34  -0.955   9.465   9.465
  265   2HG   PRO  34          1HG       PRO  34  -2.232   8.704   8.704
  266   1HD   PRO  34          2HD       PRO  34  -1.568   8.196   8.196
  267   2HD   PRO  34          1HD       PRO  34  -2.916   7.522   7.522
  268    H    ARG  35           H        ARG  35  -1.098  10.319  10.319
  269    HA   ARG  35           HA       ARG  35  -1.309  12.351  12.351
  270   1HB   ARG  35          2HB       ARG  35   0.630  13.774  13.774
  271   2HB   ARG  35          1HB       ARG  35  -0.934  13.977  13.977
  272   1HG   ARG  35          2HG       ARG  35  -0.237  12.275  12.275
  273   2HG   ARG  35          1HG       ARG  35   1.356  12.234  12.234
  274   1HD   ARG  35          2HD       ARG  35  -0.005  14.622  14.622
  275   2HD   ARG  35          1HD       ARG  35   1.447  13.798  13.798
  276    HE   ARG  35           HE       ARG  35   2.212  14.610  14.610
  277   1HH1  ARG  35          2HH2      ARG  35   0.579  16.378  16.378
  278   2HH1  ARG  35          1HH2      ARG  35   1.240  17.912  17.912
  279    HH2  ARG  35          1HH       ARG  35   2.710  18.038  18.038
  280    H    ASP  36           H        ASP  36   0.456  12.219  12.219
  281    HA   ASP  36           HA       ASP  36   1.594   9.894   9.894
  282   1HB   ASP  36          2HB       ASP  36   2.091  11.344  11.344
  283   2HB   ASP  36          1HB       ASP  36   2.327  12.703  12.703
  284    HD2  ASP  36          2HD       ASP  36   4.032  13.080  13.080
  285    H    GLY  37           H        GLY  37   3.365   8.666   8.666
  286   1HA   GLY  37          1HA       GLY  37   5.405   8.355   8.355
  287   2HA   GLY  37          2HA       GLY  37   5.308   9.954   9.954
  288    H    ALA  38           H        ALA  38   2.367   9.420   9.420
  289    HA   ALA  38           HA       ALA  38   2.634   8.880   8.880
  290   1HB   ALA  38          3HB       ALA  38   0.407   8.165   8.165
  291   2HB   ALA  38          1HB       ALA  38   0.241   7.988   7.988
  292   3HB   ALA  38          2HB       ALA  38   0.533   9.594   9.594
  293    H    LYS  39           H        LYS  39   3.348   7.216   7.216
  294    HA   LYS  39           HA       LYS  39   4.098   4.782   4.782
  295   1HB   LYS  39          2HB       LYS  39   5.395   5.796   5.796
  296   2HB   LYS  39          1HB       LYS  39   4.047   5.601   5.601
  297   1HG   LYS  39          2HG       LYS  39   4.886   3.120   3.120
  298   2HG   LYS  39          1HG       LYS  39   6.056   3.755   3.755
  299   1HD   LYS  39          2HD       LYS  39   3.136   3.388   3.388
  300   2HD   LYS  39          1HD       LYS  39   4.279   2.065   2.065
  301   1HE   LYS  39          2HE       LYS  39   5.757   3.528   3.528
  302   2HE   LYS  39          1HE       LYS  39   4.519   4.767   4.767
  303   1HZ   LYS  39          1HZ       LYS  39   4.613   2.728   2.728
  304   2HZ   LYS  39          2HZ       LYS  39   3.294   3.636   3.636
  305    H    CYS  40           H        CYS  40   3.250   2.661   2.661
  306    HA   CYS  40           HA       CYS  40   0.859   2.355   2.355
  307   1HB   CYS  40          2HB       CYS  40  -0.265   3.318   3.318
  308   2HB   CYS  40          1HB       CYS  40   0.711   2.461   2.461
  309    H    GLU  41           H        GLU  41   0.139  -0.021  -0.021
  310    HA   GLU  41           HA       GLU  41   2.371  -1.662  -1.662
  311   1HB   GLU  41          2HB       GLU  41   1.437  -3.145  -3.145
  312   2HB   GLU  41          1HB       GLU  41   2.744  -1.988  -1.988
  313   1HG   GLU  41          2HG       GLU  41  -0.144  -1.108  -1.108
  314   2HG   GLU  41          1HG       GLU  41   0.726  -1.851  -1.851
  315    HE1  GLU  41          2HE       GLU  41   3.123   0.887   0.887
  316    H    PHE  42           H        PHE  42   1.816  -3.500  -3.500
  317    HA   PHE  42           HA       PHE  42  -1.009  -3.748  -3.748
  318   1HB   PHE  42          2HB       PHE  42   0.755  -3.612  -3.612
  319   2HB   PHE  42          1HB       PHE  42   1.592  -4.982  -4.982
  320    HD1  PHE  42          2HD       PHE  42  -1.820  -4.142  -4.142
  321    HD2  PHE  42          1HD       PHE  42   1.278  -7.029  -7.029
  322    HE1  PHE  42          2HE       PHE  42  -3.141  -5.699  -5.699
  323    HE2  PHE  42          1HE       PHE  42  -0.043  -8.586  -8.586
  324    HZ   PHE  42           HZ       PHE  42  -2.237  -7.903  -7.903
  325    H    ASP  43           H        ASP  43  -2.271  -5.234  -5.234
  326    HA   ASP  43           HA       ASP  43  -0.939  -7.294  -7.294
  327   1HB   ASP  43          2HB       ASP  43  -3.909  -6.628  -6.628
  328   2HB   ASP  43          1HB       ASP  43  -3.229  -7.756  -7.756
  329    HD1  ASP  43          2HD       ASP  43  -2.021  -4.041  -4.041
  330    H    SER  44           H        SER  44  -0.738  -9.388  -9.388
  331    HA   SER  44           HA       SER  44  -1.819  -9.950  -9.950
  332   1HB   SER  44          2HB       SER  44  -0.516 -11.920 -11.920
  333   2HB   SER  44          1HB       SER  44   0.405 -10.783 -10.783
  334    HG   SER  44           HG       SER  44   0.091 -12.981 -12.981
  335    H    TYR  45           H        TYR  45  -2.982 -10.185 -10.185
  336    HA   TYR  45           HA       TYR  45  -4.456 -12.511 -12.511
  337   1HB   TYR  45          2HB       TYR  45  -5.387 -11.456 -11.456
  338   2HB   TYR  45          1HB       TYR  45  -3.988 -10.427 -10.427
  339    HD1  TYR  45           HD1      TYR  45  -4.555  -8.510  -8.510
  340    HD2  TYR  45           HD2      TYR  45  -7.316 -10.305 -10.305
  341    HE1  TYR  45           HE1      TYR  45  -6.085  -6.489  -6.489
  342    HE2  TYR  45           HE2      TYR  45  -8.836  -8.279  -8.279
  343    HH   TYR  45           HH       TYR  45  -9.036  -6.257  -6.257
  344    H    LYS  46           H        LYS  46  -4.927  -9.555  -9.555
  345    HA   LYS  46           HA       LYS  46  -7.134 -10.783 -10.783
  346   1HB   LYS  46          2HB       LYS  46  -8.753  -9.865  -9.865
  347   2HB   LYS  46          1HB       LYS  46  -7.627  -8.855  -8.855
  348   1HG   LYS  46          2HG       LYS  46  -7.825  -7.063  -7.063
  349   2HG   LYS  46          1HG       LYS  46  -8.231  -8.095  -8.095
  350   1HD   LYS  46          2HD       LYS  46 -10.236  -8.260  -8.260
  351   2HD   LYS  46          1HD       LYS  46 -10.044  -6.624  -6.624
  352   1HE   LYS  46          2HE       LYS  46 -10.195  -7.717  -7.717
  353   2HE   LYS  46          1HE       LYS  46 -10.850  -9.109  -9.109
  354   1HZ   LYS  46          1HZ       LYS  46 -12.660  -7.809  -7.809
  355   2HZ   LYS  46          2HZ       LYS  46 -11.975  -6.393  -6.393
  356    H    GLY  47           H        GLY  47  -5.156  -7.818  -7.818
  357   1HA   GLY  47          1HA       GLY  47  -3.649  -7.204  -7.204
  358   2HA   GLY  47          2HA       GLY  47  -4.949  -7.528  -7.528
  359    H    LYS  48           H        LYS  48  -6.117  -6.161  -6.161
  360    HA   LYS  48           HA       LYS  48  -6.898  -3.785  -3.785
  361   1HB   LYS  48          2HB       LYS  48  -7.765  -5.252  -5.252
  362   2HB   LYS  48          1HB       LYS  48  -7.183  -3.752  -3.752
  363   1HG   LYS  48          2HG       LYS  48  -8.903  -3.614  -3.614
  364   2HG   LYS  48          1HG       LYS  48  -9.679  -3.966  -3.966
  365   1HD   LYS  48          2HD       LYS  48  -7.959  -1.524  -1.524
  366   2HD   LYS  48          1HD       LYS  48  -9.696  -1.537  -1.537
  367   1HE   LYS  48          2HE       LYS  48  -9.083  -2.606  -2.606
  368   2HE   LYS  48          1HE       LYS  48  -7.507  -1.902  -1.902
  369   1HZ   LYS  48          1HZ       LYS  48  -8.641  -0.178  -0.178
  370   2HZ   LYS  48          2HZ       LYS  48  -8.902   0.220   0.220
  371    H    CYS  49           H        CYS  49  -5.746  -1.955  -1.955
  372    HA   CYS  49           HA       CYS  49  -3.167  -1.740  -1.740
  373   1HB   CYS  49          2HB       CYS  49  -3.184  -0.634  -0.634
  374   2HB   CYS  49          1HB       CYS  49  -4.877  -0.199  -0.199
  375    H    TYR  50           H        TYR  50  -3.223  -1.709  -1.709
  376    HA   TYR  50           HA       TYR  50  -5.107  -0.145  -0.145
  377   1HB   TYR  50          2HB       TYR  50  -2.552  -1.741  -1.741
  378   2HB   TYR  50          1HB       TYR  50  -3.058  -0.679  -0.679
  379    HD1  TYR  50           HD2      TYR  50  -5.628  -2.240  -2.240
  380    HD2  TYR  50           HD1      TYR  50  -3.319  -2.630  -2.630
  381    HE1  TYR  50           HE2      TYR  50  -7.225  -4.030  -4.030
  382    HE2  TYR  50           HE1      TYR  50  -4.923  -4.418  -4.418
  383    HH   TYR  50           HH       TYR  50  -6.561  -6.146  -6.146
  384    H    CYS  51           H        CYS  51  -4.414   1.784   1.784
  385    HA   CYS  51           HA       CYS  51  -2.045   3.138   3.138
  386   1HB   CYS  51          2HB       CYS  51  -4.559   4.554   4.554
  387   2HB   CYS  51          1HB       CYS  51  -2.900   4.889   4.889

  Start of MODEL   27
    1    H    ALA   1           H        ALA   1   2.983 -11.622 -11.622
    2    HA   ALA   1           HA       ALA   1   4.975 -11.029 -11.029
    3   1HB   ALA   1          2HB       ALA   1   3.558 -13.082 -13.082
    4   2HB   ALA   1          3HB       ALA   1   2.183 -12.122 -12.122
    5   3HB   ALA   1          1HB       ALA   1   3.625 -12.341 -12.341
    6    H    THR   2           H        THR   2   3.109  -8.731  -8.731
    7    HA   THR   2           HA       THR   2   1.910  -7.615  -7.615
    8    HB   THR   2           HB       THR   2   2.649  -5.949  -5.949
    9    HG1  THR   2          1HG       THR   2   0.892  -7.235  -7.235
   10   1HG2  THR   2          1HG2      THR   2   0.887  -5.449  -5.449
   11   2HG2  THR   2          2HG2      THR   2  -0.133  -6.595  -6.595
   12   3HG2  THR   2          3HG2      THR   2   0.447  -5.109  -5.109
   13    H    TYR   3           H        TYR   3   2.593  -6.002  -6.002
   14    HA   TYR   3           HA       TYR   3   5.487  -5.510  -5.510
   15   1HB   TYR   3          2HB       TYR   3   3.357  -5.353  -5.353
   16   2HB   TYR   3          1HB       TYR   3   5.062  -5.043  -5.043
   17    HD1  TYR   3           HD2      TYR   3   2.868  -7.744  -7.744
   18    HD2  TYR   3           HD1      TYR   3   6.342  -6.767  -6.767
   19    HE1  TYR   3           HE2      TYR   3   3.249 -10.210 -10.210
   20    HE2  TYR   3           HE1      TYR   3   6.711  -9.236  -9.236
   21    HH   TYR   3           HH       TYR   3   4.389 -11.519 -11.519
   22    H    ASN   4           H        ASN   4   6.184  -3.490  -3.490
   23    HA   ASN   4           HA       ASN   4   4.183  -1.431  -1.431
   24   1HB   ASN   4          2HB       ASN   4   7.117  -1.586  -1.586
   25   2HB   ASN   4          1HB       ASN   4   6.181  -0.112  -0.112
   26   1HD2  ASN   4          1HD2      ASN   4   5.089  -3.455  -3.455
   27   2HD2  ASN   4          2HD2      ASN   4   4.647  -3.355  -3.355
   28    H    GLY   5           H        GLY   5   4.605   0.740   0.740
   29   1HA   GLY   5          1HA       GLY   5   6.736   1.182   1.182
   30   2HA   GLY   5          2HA       GLY   5   5.344   0.593   0.593
   31    H    LYS   6           H        LYS   6   4.673   2.467   2.467
   32    HA   LYS   6           HA       LYS   6   3.608   4.532   4.532
   33   1HB   LYS   6          2HB       LYS   6   5.228   5.280   5.280
   34   2HB   LYS   6          1HB       LYS   6   4.628   6.326   6.326
   35   1HG   LYS   6          2HG       LYS   6   6.128   5.222   5.222
   36   2HG   LYS   6          1HG       LYS   6   6.694   4.112   4.112
   37   1HD   LYS   6          2HD       LYS   6   7.259   6.384   6.384
   38   2HD   LYS   6          1HD       LYS   6   7.257   7.063   7.063
   39   1HE   LYS   6          2HE       LYS   6   8.775   4.852   4.852
   40   2HE   LYS   6          1HE       LYS   6   9.142   5.070   5.070
   41   1HZ   LYS   6          1HZ       LYS   6   9.541   7.523   7.523
   42   2HZ   LYS   6          2HZ       LYS   6   9.675   6.935   6.935
   43    H    CYS   7           H        CYS   7   1.946   5.873   5.873
   44    HA   CYS   7           HA       CYS   7   0.834   4.454   4.454
   45   1HB   CYS   7          2HB       CYS   7  -1.388   5.465   5.465
   46   2HB   CYS   7          1HB       CYS   7  -0.811   3.825   3.825
   47    H    TYR   8           H        TYR   8  -0.628   5.932   5.932
   48    HA   TYR   8           HA       TYR   8   0.350   8.702   8.702
   49   1HB   TYR   8          2HB       TYR   8  -0.494   6.837   6.837
   50   2HB   TYR   8          1HB       TYR   8  -0.219   8.549   8.549
   51    HD1  TYR   8           HD2      TYR   8   1.589   5.684   5.684
   52    HD2  TYR   8           HD1      TYR   8   1.828   9.106   9.106
   53    HE1  TYR   8           HE2      TYR   8   4.063   5.237   5.237
   54    HE2  TYR   8           HE1      TYR   8   4.302   8.648   8.648
   55    HH   TYR   8           HH       TYR   8   5.742   5.710   5.710
   56    H    LYS   9           H        LYS   9  -1.137  10.413  10.413
   57    HA   LYS   9           HA       LYS   9  -3.873   9.649   9.649
   58   1HB   LYS   9          2HB       LYS   9  -4.177  11.813  11.813
   59   2HB   LYS   9          1HB       LYS   9  -2.502  11.504  11.504
   60   1HG   LYS   9          2HG       LYS   9  -1.761  12.674  12.674
   61   2HG   LYS   9          1HG       LYS   9  -3.430  12.945  12.945
   62   1HD   LYS   9          2HD       LYS   9  -2.777  13.871  13.871
   63   2HD   LYS   9          1HD       LYS   9  -1.882  14.702  14.702
   64   1HE   LYS   9          2HE       LYS   9  -4.388  14.716  14.716
   65   2HE   LYS   9          1HE       LYS   9  -4.819  14.731  14.731
   66   1HZ   LYS   9          1HZ       LYS   9  -2.702  16.568  16.568
   67   2HZ   LYS   9          2HZ       LYS   9  -3.969  16.899  16.899
   68    H    LYS  10           H        LYS  10  -2.018  11.554  11.554
   69    HA   LYS  10           HA       LYS  10  -4.201  12.095  12.095
   70   1HB   LYS  10          2HB       LYS  10  -1.378  12.497  12.497
   71   2HB   LYS  10          1HB       LYS  10  -1.818  11.800  11.800
   72   1HG   LYS  10          2HG       LYS  10  -3.790  13.559  13.559
   73   2HG   LYS  10          1HG       LYS  10  -2.829  14.366  14.366
   74   1HD   LYS  10          2HD       LYS  10  -1.328  15.140  15.140
   75   2HD   LYS  10          1HD       LYS  10  -1.181  13.573  13.573
   76   1HE   LYS  10          2HE       LYS  10  -3.361  13.987  13.987
   77   2HE   LYS  10          1HE       LYS  10  -3.445  15.576  15.576
   78   1HZ   LYS  10          1HZ       LYS  10  -0.911  15.239  15.239
   79   2HZ   LYS  10          2HZ       LYS  10  -2.063  14.888  14.888
   80    H    ASP  11           H        ASP  11  -2.490   9.124   9.124
   81    HA   ASP  11           HA       ASP  11  -3.701   7.962   7.962
   82   1HB   ASP  11          2HB       ASP  11  -1.226   7.429   7.429
   83   2HB   ASP  11          1HB       ASP  11  -2.090   5.987   5.987
   84    HD1  ASP  11          2HD       ASP  11  -0.377   8.733   8.733
   85    H    ASN  12           H        ASN  12  -3.620   8.107   8.107
   86    HA   ASN  12           HA       ASN  12  -4.720   7.118   7.118
   87   1HB   ASN  12          2HB       ASN  12  -6.772   7.858   7.858
   88   2HB   ASN  12          1HB       ASN  12  -6.651   6.685   6.685
   89   1HD2  ASN  12          2HD2      ASN  12  -7.649   5.350   5.350
   90   2HD2  ASN  12          1HD2      ASN  12  -6.505   6.627   6.627
   91    H    ILE  13           H        ILE  13  -2.654   5.535   5.535
   92    HA   ILE  13           HA       ILE  13  -3.796   2.852   2.852
   93    HB   ILE  13           HB       ILE  13  -2.041   2.079   2.079
   94   1HG1  ILE  13          2HG1      ILE  13  -1.444   4.107   4.107
   95   2HG1  ILE  13          3HG1      ILE  13  -1.537   5.017   5.017
   96   1HG2  ILE  13          1HG2      ILE  13  -4.585   3.179   3.179
   97   2HG2  ILE  13          2HG2      ILE  13  -3.544   3.763   3.763
   98   3HG2  ILE  13          3HG2      ILE  13  -3.691   2.017   2.017
   99   1HD1  ILE  13          3HD1      ILE  13   0.074   2.442   2.442
  100   2HD1  ILE  13          1HD1      ILE  13   0.766   4.040   4.040
  101   3HD1  ILE  13          2HD1      ILE  13   0.169   3.687   3.687
  102    H    CYS  14           H        CYS  14  -1.662   1.291   1.291
  103    HA   CYS  14           HA       CYS  14   0.010   2.655   2.655
  104   1HB   CYS  14          2HB       CYS  14  -1.482   1.580   1.580
  105   2HB   CYS  14          1HB       CYS  14  -1.650   0.186   0.186
  106    H    LYS  15           H        LYS  15   2.169   2.301   2.301
  107    HA   LYS  15           HA       LYS  15   2.776   0.088   0.088
  108   1HB   LYS  15          2HB       LYS  15   4.001   2.822   2.822
  109   2HB   LYS  15          1HB       LYS  15   4.888   1.524   1.524
  110   1HG   LYS  15          2HG       LYS  15   2.995   1.224   1.224
  111   2HG   LYS  15          1HG       LYS  15   2.146   2.556   2.556
  112   1HD   LYS  15          2HD       LYS  15   3.786   4.160   4.160
  113   2HD   LYS  15          1HD       LYS  15   4.972   2.920   2.920
  114   1HE   LYS  15          2HE       LYS  15   2.749   2.244   2.244
  115   2HE   LYS  15          1HE       LYS  15   2.832   3.992   3.992
  116   1HZ   LYS  15          1HZ       LYS  15   4.807   3.895   3.895
  117   2HZ   LYS  15          2HZ       LYS  15   5.388   2.633   2.633
  118    H    TYR  16           H        TYR  16   3.821  -1.625  -1.625
  119    HA   TYR  16           HA       TYR  16   5.707  -1.142  -1.142
  120   1HB   TYR  16          2HB       TYR  16   4.580  -2.963  -2.963
  121   2HB   TYR  16          1HB       TYR  16   3.427  -1.685  -1.685
  122    HD1  TYR  16           HD1      TYR  16   1.952  -2.000  -2.000
  123    HD2  TYR  16           HD2      TYR  16   4.020  -5.173  -5.173
  124    HE1  TYR  16           HE1      TYR  16   0.386  -3.697  -3.697
  125    HE2  TYR  16           HE2      TYR  16   2.447  -6.859  -6.859
  126    HH   TYR  16           HH       TYR  16  -0.029  -5.802  -5.802
  127    H    LYS  17           H        LYS  17   6.849  -3.347  -3.347
  128    HA   LYS  17           HA       LYS  17   7.801  -4.350  -4.350
  129   1HB   LYS  17          2HB       LYS  17   8.692  -4.246  -4.246
  130   2HB   LYS  17          1HB       LYS  17   8.935  -5.841  -5.841
  131   1HG   LYS  17          2HG       LYS  17  10.142  -4.872  -4.872
  132   2HG   LYS  17          1HG       LYS  17   9.821  -3.250  -3.250
  133   1HD   LYS  17          2HD       LYS  17  11.284  -3.484  -3.484
  134   2HD   LYS  17          1HD       LYS  17  11.254  -5.234  -5.234
  135   1HE   LYS  17          2HE       LYS  17  12.881  -5.336  -5.336
  136   2HE   LYS  17          1HE       LYS  17  12.283  -3.916  -3.916
  137   1HZ   LYS  17          1HZ       LYS  17  13.590  -3.601  -3.601
  138   2HZ   LYS  17          2HZ       LYS  17  14.507  -3.756  -3.756
  139    H    ALA  18           H        ALA  18   7.900  -6.673  -6.673
  140    HA   ALA  18           HA       ALA  18   5.463  -8.014  -8.014
  141   1HB   ALA  18          3HB       ALA  18   6.769  -7.650  -7.650
  142   2HB   ALA  18          1HB       ALA  18   6.223  -9.311  -9.311
  143   3HB   ALA  18          2HB       ALA  18   5.063  -7.963  -7.963
  144    H    GLN  19           H        GLN  19   5.639 -10.480 -10.480
  145    HA   GLN  19           HA       GLN  19   7.338 -11.346 -11.346
  146   1HB   GLN  19          2HB       GLN  19   5.648 -12.848 -12.848
  147   2HB   GLN  19          1HB       GLN  19   6.088 -12.754 -12.754
  148   1HG   GLN  19          2HG       GLN  19   8.257 -13.777 -13.777
  149   2HG   GLN  19          1HG       GLN  19   6.832 -14.796 -14.796
  150   1HE2  GLN  19          2HE2      GLN  19   9.399 -15.492 -15.492
  151   2HE2  GLN  19          1HE2      GLN  19   9.569 -15.127 -15.127
  152    H    SER  20           H        SER  20   7.967 -12.147 -12.147
  153    HA   SER  20           HA       SER  20  10.439 -13.057 -13.057
  154   1HB   SER  20          2HB       SER  20   8.825 -11.874 -11.874
  155   2HB   SER  20          1HB       SER  20  10.459 -11.269 -11.269
  156    HG   SER  20           HG       SER  20  10.261 -14.039 -14.039
  157    H    GLY  21           H        GLY  21   9.526  -9.552  -9.552
  158   1HA   GLY  21          1HA       GLY  21  11.029  -8.322  -8.322
  159   2HA   GLY  21          2HA       GLY  21  12.304  -8.814  -8.814
  160    H    LYS  22           H        LYS  22   9.960  -8.610  -8.610
  161    HA   LYS  22           HA       LYS  22  10.795  -6.148  -6.148
  162   1HB   LYS  22          2HB       LYS  22   9.882  -8.105  -8.105
  163   2HB   LYS  22          1HB       LYS  22   8.282  -7.687  -7.687
  164   1HG   LYS  22          2HG       LYS  22   8.819  -5.282  -5.282
  165   2HG   LYS  22          1HG       LYS  22  10.096  -6.081  -6.081
  166   1HD   LYS  22          2HD       LYS  22   7.283  -7.207  -7.207
  167   2HD   LYS  22          1HD       LYS  22   7.689  -5.822  -5.822
  168   1HE   LYS  22          2HE       LYS  22   9.517  -8.235  -8.235
  169   2HE   LYS  22          1HE       LYS  22   8.010  -8.300  -8.300
  170   1HZ   LYS  22          1HZ       LYS  22   9.931  -6.066  -6.066
  171   2HZ   LYS  22          2HZ       LYS  22   9.978  -7.400  -7.400
  172    H    THR  23           H        THR  23   7.456  -6.005  -6.005
  173    HA   THR  23           HA       THR  23   6.800  -4.668  -4.668
  174    HB   THR  23           HB       THR  23   7.763  -3.136  -3.136
  175    HG1  THR  23          1HG       THR  23   9.019  -3.007  -3.007
  176   1HG2  THR  23          2HG2      THR  23   5.259  -2.546  -2.546
  177   2HG2  THR  23          3HG2      THR  23   5.779  -1.964  -1.964
  178   3HG2  THR  23          1HG2      THR  23   6.422  -1.204  -1.204
  179    H    ALA  24           H        ALA  24   4.553  -3.929  -3.929
  180    HA   ALA  24           HA       ALA  24   2.970  -4.860  -4.860
  181   1HB   ALA  24          1HB       ALA  24   2.801  -5.911  -5.911
  182   2HB   ALA  24          2HB       ALA  24   1.457  -6.049  -6.049
  183   3HB   ALA  24          3HB       ALA  24   3.015  -6.838  -6.838
  184    H    ILE  25           H        ILE  25   1.078  -3.662  -3.662
  185    HA   ILE  25           HA       ILE  25   0.816  -1.410  -1.410
  186    HB   ILE  25           HB       ILE  25  -0.439  -1.539  -1.539
  187   1HG1  ILE  25          2HG1      ILE  25   2.449  -0.793  -0.793
  188   2HG1  ILE  25          3HG1      ILE  25   1.907  -2.211  -2.211
  189   1HG2  ILE  25          1HG2      ILE  25  -0.011   0.446   0.446
  190   2HG2  ILE  25          2HG2      ILE  25   0.559   0.999   0.999
  191   3HG2  ILE  25          3HG2      ILE  25  -1.125   0.460   0.460
  192   1HD1  ILE  25          3HD1      ILE  25   0.595  -0.475  -0.475
  193   2HD1  ILE  25          1HD1      ILE  25   1.746   0.698   0.698
  194   3HD1  ILE  25          2HD1      ILE  25   2.345  -0.699  -0.699
  195    H    CYS  26           H        CYS  26  -1.103  -1.006  -1.006
  196    HA   CYS  26           HA       CYS  26  -3.326  -2.785  -2.785
  197   1HB   CYS  26          2HB       CYS  26  -1.987  -3.766  -3.766
  198   2HB   CYS  26          1HB       CYS  26  -2.310  -2.326  -2.326
  199    H    LYS  27           H        LYS  27  -4.680  -1.159  -1.159
  200    HA   LYS  27           HA       LYS  27  -4.715   1.459   1.459
  201   1HB   LYS  27          2HB       LYS  27  -7.283   1.209   1.209
  202   2HB   LYS  27          1HB       LYS  27  -6.101   0.920   0.920
  203   1HG   LYS  27          2HG       LYS  27  -6.347  -1.428  -1.428
  204   2HG   LYS  27          1HG       LYS  27  -6.955  -1.394  -1.394
  205   1HD   LYS  27          2HD       LYS  27  -9.074  -1.417  -1.417
  206   2HD   LYS  27          1HD       LYS  27  -8.799   0.145   0.145
  207   1HE   LYS  27          2HE       LYS  27  -7.787  -1.045  -1.045
  208   2HE   LYS  27          1HE       LYS  27  -8.215  -2.575  -2.575
  209   1HZ   LYS  27          1HZ       LYS  27  -9.915  -0.736  -0.736
  210   2HZ   LYS  27          2HZ       LYS  27 -10.201  -2.292  -2.292
  211    H    CYS  28           H        CYS  28  -5.665   2.832   2.832
  212    HA   CYS  28           HA       CYS  28  -5.948   1.606   1.606
  213   1HB   CYS  28          2HB       CYS  28  -5.599   4.318   4.318
  214   2HB   CYS  28          1HB       CYS  28  -6.654   4.243   4.243
  215    H    TYR  29           H        TYR  29  -7.864   0.454   0.454
  216    HA   TYR  29           HA       TYR  29 -10.307   1.530   1.530
  217   1HB   TYR  29          2HB       TYR  29 -11.001  -0.720  -0.720
  218   2HB   TYR  29          1HB       TYR  29  -9.267  -0.975  -0.975
  219    HD1  TYR  29           HD1      TYR  29  -8.102  -0.673  -0.673
  220    HD2  TYR  29           HD2      TYR  29 -12.192  -1.730  -1.730
  221    HE1  TYR  29           HE1      TYR  29  -8.221  -1.731  -1.731
  222    HE2  TYR  29           HE2      TYR  29 -12.297  -2.785  -2.785
  223    HH   TYR  29           HH       TYR  29 -11.161  -3.399  -3.399
  224    H    VAL  30           H        VAL  30  -8.761   2.791   2.791
  225    HA   VAL  30           HA       VAL  30 -11.101   2.884   2.884
  226    HB   VAL  30           HB       VAL  30  -8.335   3.090   3.090
  227   1HG1  VAL  30          1HG1      VAL  30 -11.004   3.098   3.098
  228   2HG1  VAL  30          2HG1      VAL  30 -10.195   1.635   1.635
  229   3HG1  VAL  30          3HG1      VAL  30  -9.476   3.237   3.237
  230   1HG2  VAL  30          1HG2      VAL  30  -9.755   0.508   0.508
  231   2HG2  VAL  30          2HG2      VAL  30  -8.123   1.032   1.032
  232   3HG2  VAL  30          3HG2      VAL  30  -8.461   0.611   0.611
  233    H    LYS  31           H        LYS  31  -9.336   4.771   4.771
  234    HA   LYS  31           HA       LYS  31 -10.243   7.143   7.143
  235   1HB   LYS  31          2HB       LYS  31  -9.115   6.307   6.307
  236   2HB   LYS  31          1HB       LYS  31  -8.038   7.548   7.548
  237   1HG   LYS  31          2HG       LYS  31  -9.535   9.047   9.047
  238   2HG   LYS  31          1HG       LYS  31 -10.533   8.647   8.647
  239   1HD   LYS  31          2HD       LYS  31 -12.113   7.931   7.931
  240   2HD   LYS  31          1HD       LYS  31 -11.071   6.565   6.565
  241   1HE   LYS  31          2HE       LYS  31 -10.750   7.321   7.321
  242   2HE   LYS  31          1HE       LYS  31 -10.046   8.800   8.800
  243   1HZ   LYS  31          1HZ       LYS  31 -12.899   8.808   8.808
  244   2HZ   LYS  31          2HZ       LYS  31 -12.441   8.612   8.612
  245    H    LYS  32           H        LYS  32  -9.579   7.909   7.909
  246    HA   LYS  32           HA       LYS  32  -7.467   7.248   7.248
  247   1HB   LYS  32          2HB       LYS  32  -9.016   8.708   8.708
  248   2HB   LYS  32          1HB       LYS  32  -8.883   9.881   9.881
  249   1HG   LYS  32          2HG       LYS  32  -6.461  10.278  10.278
  250   2HG   LYS  32          1HG       LYS  32  -6.770   9.256   9.256
  251   1HD   LYS  32          2HD       LYS  32  -7.051  11.748  11.748
  252   2HD   LYS  32          1HD       LYS  32  -8.436  10.769  10.769
  253   1HE   LYS  32          2HE       LYS  32  -9.737  11.534  11.534
  254   2HE   LYS  32          1HE       LYS  32  -8.339  11.920  11.920
  255   1HZ   LYS  32          1HZ       LYS  32  -9.191  13.976  13.976
  256   2HZ   LYS  32          2HZ       LYS  32  -7.876  13.727  13.727
  257    H    CYS  33           H        CYS  33  -5.287   7.998   7.998
  258    HA   CYS  33           HA       CYS  33  -3.807   8.186   8.186
  259   1HB   CYS  33          2HB       CYS  33  -3.219   7.634   7.634
  260   2HB   CYS  33          1HB       CYS  33  -2.677   9.301   9.301
  261    HA   PRO  34           HA       PRO  34  -4.184  12.445  12.445
  262   1HB   PRO  34          2HB       PRO  34  -2.157  12.735  12.735
  263   2HB   PRO  34          1HB       PRO  34  -3.733  12.098  12.098
  264   1HG   PRO  34          2HG       PRO  34  -1.181  10.647  10.647
  265   2HG   PRO  34          1HG       PRO  34  -2.639  10.121  10.121
  266   1HD   PRO  34          2HD       PRO  34  -1.742   9.309   9.309
  267   2HD   PRO  34          1HD       PRO  34  -3.255   8.874   8.874
  268    H    ARG  35           H        ARG  35  -1.378  11.097  11.097
  269    HA   ARG  35           HA       ARG  35  -1.008  13.038  13.038
  270   1HB   ARG  35          2HB       ARG  35   1.154  14.153  14.153
  271   2HB   ARG  35          1HB       ARG  35  -0.442  14.822  14.822
  272   1HG   ARG  35          2HG       ARG  35  -0.568  13.999  13.999
  273   2HG   ARG  35          1HG       ARG  35   0.489  12.641  12.641
  274   1HD   ARG  35          2HD       ARG  35   1.456  14.565  14.565
  275   2HD   ARG  35          1HD       ARG  35   2.462  13.971  13.971
  276    HE   ARG  35           HE       ARG  35   0.741  16.171  16.171
  277   1HH1  ARG  35          2HH2      ARG  35   3.811  15.396  15.396
  278   2HH1  ARG  35          1HH2      ARG  35   4.538  16.920  16.920
  279    HH2  ARG  35          1HH       ARG  35   3.278  18.543  18.543
  280    H    ASP  36           H        ASP  36   0.572  12.304  12.304
  281    HA   ASP  36           HA       ASP  36   1.517   9.873   9.873
  282   1HB   ASP  36          2HB       ASP  36   3.136  12.300  12.300
  283   2HB   ASP  36          1HB       ASP  36   3.409  10.656  10.656
  284    HD1  ASP  36          2HD       ASP  36  -0.117  12.068  12.068
  285    H    GLY  37           H        GLY  37   3.120   8.657   8.657
  286   1HA   GLY  37          1HA       GLY  37   5.297   8.529   8.529
  287   2HA   GLY  37          2HA       GLY  37   5.090  10.144  10.144
  288    H    ALA  38           H        ALA  38   2.140   9.448   9.448
  289    HA   ALA  38           HA       ALA  38   2.389   8.970   8.970
  290   1HB   ALA  38          1HB       ALA  38   0.332   9.284   9.284
  291   2HB   ALA  38          2HB       ALA  38   0.016   7.681   7.681
  292   3HB   ALA  38          3HB       ALA  38   0.139   9.111   9.111
  293    H    LYS  39           H        LYS  39   3.090   7.301   7.301
  294    HA   LYS  39           HA       LYS  39   3.888   4.884   4.884
  295   1HB   LYS  39          2HB       LYS  39   5.052   5.855   5.855
  296   2HB   LYS  39          1HB       LYS  39   3.625   5.668   5.668
  297   1HG   LYS  39          2HG       LYS  39   4.495   3.175   3.175
  298   2HG   LYS  39          1HG       LYS  39   5.646   3.795   3.795
  299   1HD   LYS  39          2HD       LYS  39   2.699   3.500   3.500
  300   2HD   LYS  39          1HD       LYS  39   3.805   2.150   2.150
  301   1HE   LYS  39          2HE       LYS  39   4.416   4.842   4.842
  302   2HE   LYS  39          1HE       LYS  39   3.427   3.647   3.647
  303   1HZ   LYS  39          1HZ       LYS  39   5.941   3.581   3.581
  304   2HZ   LYS  39          2HZ       LYS  39   5.227   2.152   2.152
  305    H    CYS  40           H        CYS  40   3.043   2.743   2.743
  306    HA   CYS  40           HA       CYS  40   0.516   2.433   2.433
  307   1HB   CYS  40          2HB       CYS  40  -0.541   3.246   3.246
  308   2HB   CYS  40          1HB       CYS  40   0.683   2.644   2.644
  309    H    GLU  41           H        GLU  41  -0.152   0.050   0.050
  310    HA   GLU  41           HA       GLU  41   2.163  -1.591  -1.591
  311   1HB   GLU  41          2HB       GLU  41   1.077  -3.010  -3.010
  312   2HB   GLU  41          1HB       GLU  41   2.378  -1.853  -1.853
  313   1HG   GLU  41          2HG       GLU  41  -0.558  -1.046  -1.046
  314   2HG   GLU  41          1HG       GLU  41   0.344  -1.596  -1.596
  315    HE1  GLU  41          2HE       GLU  41   2.836   0.290   0.290
  316    H    PHE  42           H        PHE  42   1.714  -3.484  -3.484
  317    HA   PHE  42           HA       PHE  42  -1.098  -3.838  -3.838
  318   1HB   PHE  42          2HB       PHE  42   0.301  -3.621  -3.621
  319   2HB   PHE  42          1HB       PHE  42   1.644  -4.445  -4.445
  320    HD1  PHE  42          1HD       PHE  42   1.506  -6.953  -6.953
  321    HD2  PHE  42          2HD       PHE  42  -1.232  -4.801  -4.801
  322    HE1  PHE  42          1HE       PHE  42   0.865  -9.082  -9.082
  323    HE2  PHE  42          2HE       PHE  42  -1.873  -6.930  -6.930
  324    HZ   PHE  42           HZ       PHE  42  -0.816  -9.045  -9.045
  325    H    ASP  43           H        ASP  43  -2.249  -5.590  -5.590
  326    HA   ASP  43           HA       ASP  43  -0.905  -7.423  -7.423
  327   1HB   ASP  43          2HB       ASP  43  -3.778  -7.618  -7.618
  328   2HB   ASP  43          1HB       ASP  43  -3.117  -8.263  -8.263
  329    HD1  ASP  43          2HD       ASP  43  -2.641  -6.468  -6.468
  330    H    SER  44           H        SER  44  -0.450  -9.631  -9.631
  331    HA   SER  44           HA       SER  44  -0.695 -10.294 -10.294
  332   1HB   SER  44          2HB       SER  44   0.618 -12.421 -12.421
  333   2HB   SER  44          1HB       SER  44   1.411 -10.995 -10.995
  334    HG   SER  44           HG       SER  44   0.569 -11.356 -11.356
  335    H    TYR  45           H        TYR  45  -2.335 -10.800 -10.800
  336    HA   TYR  45           HA       TYR  45  -3.187 -13.441 -13.441
  337   1HB   TYR  45          2HB       TYR  45  -4.618 -12.734 -12.734
  338   2HB   TYR  45          1HB       TYR  45  -3.382 -11.493 -11.493
  339    HD1  TYR  45           HD1      TYR  45  -3.984  -9.571  -9.571
  340    HD2  TYR  45           HD2      TYR  45  -6.728 -11.877 -11.877
  341    HE1  TYR  45           HE1      TYR  45  -5.768  -7.787  -7.787
  342    HE2  TYR  45           HE2      TYR  45  -8.502 -10.086 -10.086
  343    HH   TYR  45           HH       TYR  45  -9.046  -8.272  -8.272
  344    H    LYS  46           H        LYS  46  -4.046 -10.548 -10.548
  345    HA   LYS  46           HA       LYS  46  -5.840 -12.138 -12.138
  346   1HB   LYS  46          2HB       LYS  46  -7.688 -11.458 -11.458
  347   2HB   LYS  46          1HB       LYS  46  -6.829 -10.240 -10.240
  348   1HG   LYS  46          2HG       LYS  46  -7.227  -8.564  -8.564
  349   2HG   LYS  46          1HG       LYS  46  -7.190  -9.667  -9.667
  350   1HD   LYS  46          2HD       LYS  46  -9.483  -8.811  -8.811
  351   2HD   LYS  46          1HD       LYS  46  -9.428 -10.545 -10.545
  352   1HE   LYS  46          2HE       LYS  46  -9.695 -10.375 -10.375
  353   2HE   LYS  46          1HE       LYS  46  -8.977  -8.779  -8.779
  354   1HZ   LYS  46          1HZ       LYS  46 -11.607  -9.282  -9.282
  355   2HZ   LYS  46          2HZ       LYS  46 -11.454  -8.824  -8.824
  356    H    GLY  47           H        GLY  47  -4.395  -8.905  -8.905
  357   1HA   GLY  47          1HA       GLY  47  -2.768  -8.236  -8.236
  358   2HA   GLY  47          2HA       GLY  47  -4.057  -8.532  -8.532
  359    H    LYS  48           H        LYS  48  -5.577  -7.449  -7.449
  360    HA   LYS  48           HA       LYS  48  -6.580  -5.166  -5.166
  361   1HB   LYS  48          2HB       LYS  48  -6.943  -6.495  -6.495
  362   2HB   LYS  48          1HB       LYS  48  -5.927  -5.223  -5.223
  363   1HG   LYS  48          2HG       LYS  48  -8.282  -4.547  -4.547
  364   2HG   LYS  48          1HG       LYS  48  -7.455  -3.499  -3.499
  365   1HD   LYS  48          2HD       LYS  48  -9.766  -4.424  -4.424
  366   2HD   LYS  48          1HD       LYS  48  -8.467  -4.523  -4.523
  367   1HE   LYS  48          2HE       LYS  48  -8.209  -6.853  -6.853
  368   2HE   LYS  48          1HE       LYS  48  -8.883  -6.851  -6.851
  369   1HZ   LYS  48          1HZ       LYS  48 -10.953  -5.960  -5.960
  370   2HZ   LYS  48          2HZ       LYS  48 -10.265  -7.055  -7.055
  371    H    CYS  49           H        CYS  49  -6.168  -2.829  -2.829
  372    HA   CYS  49           HA       CYS  49  -3.278  -2.369  -2.369
  373   1HB   CYS  49          2HB       CYS  49  -3.609  -1.778  -1.778
  374   2HB   CYS  49          1HB       CYS  49  -5.288  -1.339  -1.339
  375    H    TYR  50           H        TYR  50  -3.497  -2.082  -2.082
  376    HA   TYR  50           HA       TYR  50  -5.435  -0.364  -0.364
  377   1HB   TYR  50          2HB       TYR  50  -2.757  -1.638  -1.638
  378   2HB   TYR  50          1HB       TYR  50  -3.461  -0.479  -0.479
  379    HD1  TYR  50           HD2      TYR  50  -6.389  -1.205  -1.205
  380    HD2  TYR  50           HD1      TYR  50  -2.906  -3.629  -3.629
  381    HE1  TYR  50           HE2      TYR  50  -7.820  -3.047  -3.047
  382    HE2  TYR  50           HE1      TYR  50  -4.349  -5.464  -5.464
  383    HH   TYR  50           HH       TYR  50  -7.795  -4.936  -4.936
  384    H    CYS  51           H        CYS  51  -4.953   1.354   1.354
  385    HA   CYS  51           HA       CYS  51  -2.619   2.917   2.917
  386   1HB   CYS  51          2HB       CYS  51  -5.043   4.012   4.012
  387   2HB   CYS  51          1HB       CYS  51  -3.348   4.202   4.202

  Start of MODEL   28
    1    H    ALA   1           H        ALA   1   2.159 -11.098 -11.098
    2    HA   ALA   1           HA       ALA   1   4.702 -11.073 -11.073
    3   1HB   ALA   1          2HB       ALA   1   2.687 -12.867 -12.867
    4   2HB   ALA   1          3HB       ALA   1   2.112 -11.714 -11.714
    5   3HB   ALA   1          1HB       ALA   1   3.711 -12.477 -12.477
    6    H    THR   2           H        THR   2   2.485  -8.902  -8.902
    7    HA   THR   2           HA       THR   2   1.609  -7.454  -7.454
    8    HB   THR   2           HB       THR   2   2.598  -6.114  -6.114
    9    HG1  THR   2          1HG       THR   2   0.291  -7.891  -7.891
   10   1HG2  THR   2          2HG2      THR   2   0.910  -5.266  -5.266
   11   2HG2  THR   2          3HG2      THR   2  -0.252  -6.045  -6.045
   12   3HG2  THR   2          1HG2      THR   2   0.779  -4.718  -4.718
   13    H    TYR   3           H        TYR   3   2.388  -5.800  -5.800
   14    HA   TYR   3           HA       TYR   3   5.318  -5.547  -5.547
   15   1HB   TYR   3          2HB       TYR   3   3.299  -5.028  -5.028
   16   2HB   TYR   3          1HB       TYR   3   5.034  -5.190  -5.190
   17    HD1  TYR   3           HD1      TYR   3   6.108  -7.399  -7.399
   18    HD2  TYR   3           HD2      TYR   3   1.867  -6.991  -6.991
   19    HE1  TYR   3           HE1      TYR   3   5.818  -9.881  -9.881
   20    HE2  TYR   3           HE2      TYR   3   1.592  -9.475  -9.475
   21    HH   TYR   3           HH       TYR   3   3.712 -11.283 -11.283
   22    H    ASN   4           H        ASN   4   6.001  -3.635  -3.635
   23    HA   ASN   4           HA       ASN   4   4.169  -1.428  -1.428
   24   1HB   ASN   4          2HB       ASN   4   6.965  -1.825  -1.825
   25   2HB   ASN   4          1HB       ASN   4   6.107  -0.301  -0.301
   26   1HD2  ASN   4          2HD2      ASN   4   4.042  -3.461  -3.461
   27   2HD2  ASN   4          1HD2      ASN   4   4.611  -3.485  -3.485
   28    H    GLY   5           H        GLY   5   4.679   0.635   0.635
   29   1HA   GLY   5          1HA       GLY   5   7.105   1.013   1.013
   30   2HA   GLY   5          2HA       GLY   5   5.786   0.543   0.543
   31    H    LYS   6           H        LYS   6   4.596   2.191   2.191
   32    HA   LYS   6           HA       LYS   6   3.968   4.458   4.458
   33   1HB   LYS   6          2HB       LYS   6   5.550   4.776   4.776
   34   2HB   LYS   6          1HB       LYS   6   4.782   6.087   6.087
   35   1HG   LYS   6          2HG       LYS   6   6.146   5.535   5.535
   36   2HG   LYS   6          1HG       LYS   6   6.914   4.225   4.225
   37   1HD   LYS   6          2HD       LYS   6   7.515   6.105   6.105
   38   2HD   LYS   6          1HD       LYS   6   7.187   7.211   7.211
   39   1HE   LYS   6          2HE       LYS   6   8.992   4.852   4.852
   40   2HE   LYS   6          1HE       LYS   6   9.639   6.183   6.183
   41   1HZ   LYS   6          1HZ       LYS   6   9.380   6.101   6.101
   42   2HZ   LYS   6          2HZ       LYS   6   9.799   7.404   7.404
   43    H    CYS   7           H        CYS   7   2.341   5.915   5.915
   44    HA   CYS   7           HA       CYS   7   0.886   4.408   4.408
   45   1HB   CYS   7          2HB       CYS   7  -1.246   5.062   5.062
   46   2HB   CYS   7          1HB       CYS   7  -0.301   3.844   3.844
   47    H    TYR   8           H        TYR   8  -0.622   5.878   5.878
   48    HA   TYR   8           HA       TYR   8   0.272   8.677   8.677
   49   1HB   TYR   8          2HB       TYR   8  -0.433   6.880   6.880
   50   2HB   TYR   8          1HB       TYR   8   0.043   8.561   8.561
   51    HD1  TYR   8           HD2      TYR   8   1.326   5.332   5.332
   52    HD2  TYR   8           HD1      TYR   8   2.265   9.045   9.045
   53    HE1  TYR   8           HE2      TYR   8   3.764   4.634   4.634
   54    HE2  TYR   8           HE1      TYR   8   4.700   8.334   8.334
   55    HH   TYR   8           HH       TYR   8   6.211   6.783   6.783
   56    H    LYS   9           H        LYS   9  -1.332  10.195  10.195
   57    HA   LYS   9           HA       LYS   9  -4.008   9.290   9.290
   58   1HB   LYS   9          2HB       LYS   9  -4.499  11.705  11.705
   59   2HB   LYS   9          1HB       LYS   9  -3.234  11.115  11.115
   60   1HG   LYS   9          2HG       LYS   9  -2.089  12.951  12.951
   61   2HG   LYS   9          1HG       LYS   9  -1.697  11.900  11.900
   62   1HD   LYS   9          2HD       LYS   9  -2.527  13.810  13.810
   63   2HD   LYS   9          1HD       LYS   9  -3.936  12.770  12.770
   64   1HE   LYS   9          2HE       LYS   9  -5.038  14.066  14.066
   65   2HE   LYS   9          1HE       LYS   9  -3.553  14.566  14.566
   66   1HZ   LYS   9          1HZ       LYS   9  -3.160  16.171  16.171
   67   2HZ   LYS   9          2HZ       LYS   9  -4.233  15.527  15.527
   68    H    LYS  10           H        LYS  10  -2.231  11.267  11.267
   69    HA   LYS  10           HA       LYS  10  -4.339  11.725  11.725
   70   1HB   LYS  10          2HB       LYS  10  -1.765  12.426  12.426
   71   2HB   LYS  10          1HB       LYS  10  -1.650  11.130  11.130
   72   1HG   LYS  10          2HG       LYS  10  -3.077  12.199  12.199
   73   2HG   LYS  10          1HG       LYS  10  -3.880  13.146  13.146
   74   1HD   LYS  10          2HD       LYS  10  -2.541  14.815  14.815
   75   2HD   LYS  10          1HD       LYS  10  -1.415  14.186  14.186
   76   1HE   LYS  10          2HE       LYS  10  -0.384  12.719  12.719
   77   2HE   LYS  10          1HE       LYS  10  -1.525  13.311  13.311
   78   1HZ   LYS  10          1HZ       LYS  10   0.358  14.654  14.654
   79   2HZ   LYS  10          2HZ       LYS  10  -0.592  15.614  15.614
   80    H    ASP  11           H        ASP  11  -2.017   8.932   8.932
   81    HA   ASP  11           HA       ASP  11  -3.576   7.656   7.656
   82   1HB   ASP  11          2HB       ASP  11  -1.099   7.027   7.027
   83   2HB   ASP  11          1HB       ASP  11  -1.943   5.678   5.678
   84    HD1  ASP  11          2HD       ASP  11  -0.551   8.835   8.835
   85    H    ASN  12           H        ASN  12  -3.752   8.056   8.056
   86    HA   ASN  12           HA       ASN  12  -4.663   6.962   6.962
   87   1HB   ASN  12          2HB       ASN  12  -6.744   7.698   7.698
   88   2HB   ASN  12          1HB       ASN  12  -6.633   6.619   6.619
   89   1HD2  ASN  12          2HD2      ASN  12  -7.858   5.229   5.229
   90   2HD2  ASN  12          1HD2      ASN  12  -6.869   6.641   6.641
   91    H    ILE  13           H        ILE  13  -2.748   5.320   5.320
   92    HA   ILE  13           HA       ILE  13  -3.884   2.672   2.672
   93    HB   ILE  13           HB       ILE  13  -1.947   1.935   1.935
   94   1HG1  ILE  13          2HG1      ILE  13  -1.625   3.784   3.784
   95   2HG1  ILE  13          3HG1      ILE  13  -2.035   4.897   4.897
   96   1HG2  ILE  13          2HG2      ILE  13  -4.631   2.409   2.409
   97   2HG2  ILE  13          3HG2      ILE  13  -3.869   3.291   3.291
   98   3HG2  ILE  13          1HG2      ILE  13  -3.540   1.557   1.557
   99   1HD1  ILE  13          2HD1      ILE  13   0.178   2.797   2.797
  100   2HD1  ILE  13          3HD1      ILE  13   0.425   4.532   4.532
  101   3HD1  ILE  13          1HD1      ILE  13  -0.214   3.993   3.993
  102    H    CYS  14           H        CYS  14  -2.027   1.036   1.036
  103    HA   CYS  14           HA       CYS  14  -0.269   2.427   2.427
  104   1HB   CYS  14          2HB       CYS  14  -1.688   1.437   1.437
  105   2HB   CYS  14          1HB       CYS  14  -2.104   0.124   0.124
  106    H    LYS  15           H        LYS  15   1.843   2.166   2.166
  107    HA   LYS  15           HA       LYS  15   2.458  -0.161  -0.161
  108   1HB   LYS  15          2HB       LYS  15   3.478   2.630   2.630
  109   2HB   LYS  15          1HB       LYS  15   4.656   1.388   1.388
  110   1HG   LYS  15          2HG       LYS  15   2.495   0.678   0.678
  111   2HG   LYS  15          1HG       LYS  15   2.438   2.430   2.430
  112   1HD   LYS  15          2HD       LYS  15   4.852   0.687   0.687
  113   2HD   LYS  15          1HD       LYS  15   3.880   1.603   1.603
  114   1HE   LYS  15          2HE       LYS  15   4.638   3.719   3.719
  115   2HE   LYS  15          1HE       LYS  15   5.336   2.950   2.950
  116   1HZ   LYS  15          1HZ       LYS  15   6.939   3.546   3.546
  117   2HZ   LYS  15          2HZ       LYS  15   7.053   2.010   2.010
  118    H    TYR  16           H        TYR  16   4.477  -1.351  -1.351
  119    HA   TYR  16           HA       TYR  16   5.911  -0.965  -0.965
  120   1HB   TYR  16          2HB       TYR  16   4.961  -2.946  -2.946
  121   2HB   TYR  16          1HB       TYR  16   3.681  -1.792  -1.792
  122    HD1  TYR  16           HD2      TYR  16   5.109  -5.051  -5.051
  123    HD2  TYR  16           HD1      TYR  16   1.857  -2.315  -2.315
  124    HE1  TYR  16           HE2      TYR  16   3.758  -6.858  -6.858
  125    HE2  TYR  16           HE1      TYR  16   0.517  -4.132  -4.132
  126    HH   TYR  16           HH       TYR  16   0.432  -6.217  -6.217
  127    H    LYS  17           H        LYS  17   7.397  -2.901  -2.901
  128    HA   LYS  17           HA       LYS  17   8.401  -3.778  -3.778
  129   1HB   LYS  17          2HB       LYS  17   9.381  -3.428  -3.428
  130   2HB   LYS  17          1HB       LYS  17   9.736  -5.064  -5.064
  131   1HG   LYS  17          2HG       LYS  17  10.386  -3.672  -3.672
  132   2HG   LYS  17          1HG       LYS  17  10.764  -2.470  -2.470
  133   1HD   LYS  17          2HD       LYS  17  12.228  -4.087  -4.087
  134   2HD   LYS  17          1HD       LYS  17  11.800  -5.344  -5.344
  135   1HE   LYS  17          2HE       LYS  17  12.651  -3.507  -3.507
  136   2HE   LYS  17          1HE       LYS  17  13.557  -2.927  -2.927
  137   1HZ   LYS  17          1HZ       LYS  17  14.974  -4.632  -4.632
  138   2HZ   LYS  17          2HZ       LYS  17  13.788  -5.741  -5.741
  139    H    ALA  18           H        ALA  18   7.906  -5.619  -5.619
  140    HA   ALA  18           HA       ALA  18   5.909  -7.324  -7.324
  141   1HB   ALA  18          1HB       ALA  18   7.418  -6.881  -6.881
  142   2HB   ALA  18          2HB       ALA  18   7.677  -8.589  -8.589
  143   3HB   ALA  18          3HB       ALA  18   6.024  -7.969  -7.969
  144    H    GLN  19           H        GLN  19   5.994  -9.545  -9.545
  145    HA   GLN  19           HA       GLN  19   7.598 -10.017 -10.017
  146   1HB   GLN  19          2HB       GLN  19   5.684 -11.415 -11.415
  147   2HB   GLN  19          1HB       GLN  19   6.287 -11.956 -11.956
  148   1HG   GLN  19          2HG       GLN  19   8.087 -13.227 -13.227
  149   2HG   GLN  19          1HG       GLN  19   7.742 -12.526 -12.526
  150   1HE2  GLN  19          2HE2      GLN  19   5.645 -15.106 -15.106
  151   2HE2  GLN  19          1HE2      GLN  19   6.863 -13.935 -13.935
  152    H    SER  20           H        SER  20   8.304 -10.643 -10.643
  153    HA   SER  20           HA       SER  20  10.617 -12.146 -12.146
  154   1HB   SER  20          2HB       SER  20   9.106 -11.243 -11.243
  155   2HB   SER  20          1HB       SER  20  10.784 -10.816 -10.816
  156    HG   SER  20           HG       SER  20  11.000 -13.249 -13.249
  157    H    GLY  21           H        GLY  21  10.018  -8.691  -8.691
  158   1HA   GLY  21          1HA       GLY  21  11.736  -7.388  -7.388
  159   2HA   GLY  21          2HA       GLY  21  12.831  -8.043  -8.043
  160    H    LYS  22           H        LYS  22  10.454  -7.955  -7.955
  161    HA   LYS  22           HA       LYS  22  11.176  -5.533  -5.533
  162   1HB   LYS  22          2HB       LYS  22  10.252  -7.640  -7.640
  163   2HB   LYS  22          1HB       LYS  22   8.663  -7.124  -7.124
  164   1HG   LYS  22          2HG       LYS  22   9.257  -4.837  -4.837
  165   2HG   LYS  22          1HG       LYS  22  10.537  -5.732  -5.732
  166   1HD   LYS  22          2HD       LYS  22   7.838  -7.023  -7.023
  167   2HD   LYS  22          1HD       LYS  22   7.980  -5.536  -5.536
  168   1HE   LYS  22          2HE       LYS  22   8.994  -6.690  -6.690
  169   2HE   LYS  22          1HE       LYS  22  10.339  -7.022  -7.022
  170   1HZ   LYS  22          1HZ       LYS  22   9.695  -9.161  -9.161
  171   2HZ   LYS  22          2HZ       LYS  22   8.398  -8.805  -8.805
  172    H    THR  23           H        THR  23   7.882  -5.403  -5.403
  173    HA   THR  23           HA       THR  23   7.222  -3.982  -3.982
  174    HB   THR  23           HB       THR  23   7.806  -2.528  -2.528
  175    HG1  THR  23          1HG       THR  23   9.570  -2.528  -2.528
  176   1HG2  THR  23          1HG2      THR  23   5.936  -1.851  -1.851
  177   2HG2  THR  23          2HG2      THR  23   7.070  -0.569  -0.569
  178   3HG2  THR  23          3HG2      THR  23   5.942  -1.261  -1.261
  179    H    ALA  24           H        ALA  24   5.035  -3.885  -3.885
  180    HA   ALA  24           HA       ALA  24   3.353  -4.624  -4.624
  181   1HB   ALA  24          3HB       ALA  24   3.695  -6.040  -6.040
  182   2HB   ALA  24          1HB       ALA  24   2.087  -6.011  -6.011
  183   3HB   ALA  24          2HB       ALA  24   3.472  -6.716  -6.716
  184    H    ILE  25           H        ILE  25   1.572  -3.333  -3.333
  185    HA   ILE  25           HA       ILE  25   1.187  -1.388  -1.388
  186    HB   ILE  25           HB       ILE  25  -0.170  -1.442  -1.442
  187   1HG1  ILE  25          2HG1      ILE  25   2.647  -0.627  -0.627
  188   2HG1  ILE  25          3HG1      ILE  25   2.064  -1.582  -1.582
  189   1HG2  ILE  25          3HG2      ILE  25   0.514   0.788   0.788
  190   2HG2  ILE  25          1HG2      ILE  25  -0.258   0.994   0.994
  191   3HG2  ILE  25          2HG2      ILE  25  -1.099   0.098   0.098
  192   1HD1  ILE  25          1HD1      ILE  25   0.870   0.469   0.469
  193   2HD1  ILE  25          2HD1      ILE  25   1.631   1.409   1.409
  194   3HD1  ILE  25          3HD1      ILE  25   2.641   0.640   0.640
  195    H    CYS  26           H        CYS  26  -0.846  -1.042  -1.042
  196    HA   CYS  26           HA       CYS  26  -2.738  -3.240  -3.240
  197   1HB   CYS  26          2HB       CYS  26  -1.387  -3.617  -3.617
  198   2HB   CYS  26          1HB       CYS  26  -1.907  -2.067  -2.067
  199    H    LYS  27           H        LYS  27  -4.371  -2.128  -2.128
  200    HA   LYS  27           HA       LYS  27  -4.932   0.488   0.488
  201   1HB   LYS  27          2HB       LYS  27  -7.106  -1.614  -1.614
  202   2HB   LYS  27          1HB       LYS  27  -7.129  -0.074  -0.074
  203   1HG   LYS  27          2HG       LYS  27  -5.524  -2.560  -2.560
  204   2HG   LYS  27          1HG       LYS  27  -6.643  -1.677  -1.677
  205   1HD   LYS  27          2HD       LYS  27  -4.006  -0.512  -0.512
  206   2HD   LYS  27          1HD       LYS  27  -4.182  -1.305  -1.305
  207   1HE   LYS  27          2HE       LYS  27  -6.133   0.393   0.393
  208   2HE   LYS  27          1HE       LYS  27  -5.481   1.281   1.281
  209   1HZ   LYS  27          1HZ       LYS  27  -4.321   0.906   0.906
  210   2HZ   LYS  27          2HZ       LYS  27  -4.204   2.186   2.186
  211    H    CYS  28           H        CYS  28  -6.111   2.005   2.005
  212    HA   CYS  28           HA       CYS  28  -6.375   1.237   1.237
  213   1HB   CYS  28          2HB       CYS  28  -6.141   3.870   3.870
  214   2HB   CYS  28          1HB       CYS  28  -6.754   3.796   3.796
  215    H    TYR  29           H        TYR  29  -8.380   0.306   0.306
  216    HA   TYR  29           HA       TYR  29 -10.691   1.569   1.569
  217   1HB   TYR  29          2HB       TYR  29 -11.589  -0.637  -0.637
  218   2HB   TYR  29          1HB       TYR  29  -9.881  -1.013  -1.013
  219    HD1  TYR  29           HD1      TYR  29  -8.618  -1.425  -1.425
  220    HD2  TYR  29           HD2      TYR  29 -12.882  -1.464  -1.464
  221    HE1  TYR  29           HE1      TYR  29  -8.790  -2.763  -2.763
  222    HE2  TYR  29           HE2      TYR  29 -13.040  -2.802  -2.802
  223    HH   TYR  29           HH       TYR  29 -11.816  -3.262  -3.262
  224    H    VAL  30           H        VAL  30  -9.390   2.799   2.799
  225    HA   VAL  30           HA       VAL  30 -11.576   3.374   3.374
  226    HB   VAL  30           HB       VAL  30 -10.472   2.112   2.112
  227   1HG1  VAL  30          2HG1      VAL  30 -12.846   1.901   1.901
  228   2HG1  VAL  30          3HG1      VAL  30 -12.353   0.272   0.272
  229   3HG1  VAL  30          1HG1      VAL  30 -12.625   1.549   1.549
  230   1HG2  VAL  30          1HG2      VAL  30  -9.059   0.895   0.895
  231   2HG2  VAL  30          2HG2      VAL  30  -9.548   0.076   0.076
  232   3HG2  VAL  30          3HG2      VAL  30 -10.491  -0.162  -0.162
  233    H    LYS  31           H        LYS  31 -11.083   5.042   5.042
  234    HA   LYS  31           HA       LYS  31  -9.889   6.908   6.908
  235   1HB   LYS  31          2HB       LYS  31  -9.278   4.814   4.814
  236   2HB   LYS  31          1HB       LYS  31  -7.690   5.397   5.397
  237   1HG   LYS  31          2HG       LYS  31  -9.739   7.484   7.484
  238   2HG   LYS  31          1HG       LYS  31  -9.148   6.501   6.501
  239   1HD   LYS  31          2HD       LYS  31  -6.829   7.128   7.128
  240   2HD   LYS  31          1HD       LYS  31  -7.299   7.937   7.937
  241   1HE   LYS  31          2HE       LYS  31  -8.386   9.718   9.718
  242   2HE   LYS  31          1HE       LYS  31  -8.488   8.803   8.803
  243   1HZ   LYS  31          1HZ       LYS  31  -5.798   9.289   9.289
  244   2HZ   LYS  31          2HZ       LYS  31  -6.579  10.587  10.587
  245    H    LYS  32           H        LYS  32  -9.512   7.186   7.186
  246    HA   LYS  32           HA       LYS  32  -7.443   6.361   6.361
  247   1HB   LYS  32          2HB       LYS  32  -8.215   9.284   9.284
  248   2HB   LYS  32          1HB       LYS  32  -7.625   8.371   8.371
  249   1HG   LYS  32          2HG       LYS  32  -9.793   7.977   7.977
  250   2HG   LYS  32          1HG       LYS  32  -9.869   6.900   6.900
  251   1HD   LYS  32          2HD       LYS  32 -11.675   8.654   8.654
  252   2HD   LYS  32          1HD       LYS  32 -10.671   8.688   8.688
  253   1HE   LYS  32          2HE       LYS  32  -9.650  10.705  10.705
  254   2HE   LYS  32          1HE       LYS  32  -9.790  10.412  10.412
  255   1HZ   LYS  32          1HZ       LYS  32 -11.709  11.642  11.642
  256   2HZ   LYS  32          2HZ       LYS  32 -11.507  11.865  11.865
  257    H    CYS  33           H        CYS  33  -5.239   6.963   6.963
  258    HA   CYS  33           HA       CYS  33  -3.664   7.121   7.121
  259   1HB   CYS  33          2HB       CYS  33  -2.562   6.511   6.511
  260   2HB   CYS  33          1HB       CYS  33  -3.260   7.801   7.801
  261    HA   PRO  34           HA       PRO  34  -4.015  11.267  11.267
  262   1HB   PRO  34          2HB       PRO  34  -1.813  11.469  11.469
  263   2HB   PRO  34          1HB       PRO  34  -3.315  10.732  10.732
  264   1HG   PRO  34          2HG       PRO  34  -0.774   9.425   9.425
  265   2HG   PRO  34          1HG       PRO  34  -2.119   8.766   8.766
  266   1HD   PRO  34          2HD       PRO  34  -1.483   8.237   8.237
  267   2HD   PRO  34          1HD       PRO  34  -2.890   7.671   7.671
  268    H    ARG  35           H        ARG  35  -0.859  10.298  10.298
  269    HA   ARG  35           HA       ARG  35  -0.869  12.357  12.357
  270   1HB   ARG  35          2HB       ARG  35   1.098  13.681  13.681
  271   2HB   ARG  35          1HB       ARG  35  -0.410  13.906  13.906
  272   1HG   ARG  35          2HG       ARG  35   0.463  11.891  11.891
  273   2HG   ARG  35          1HG       ARG  35   2.030  12.321  12.321
  274   1HD   ARG  35          2HD       ARG  35   2.191  14.104  14.104
  275   2HD   ARG  35          1HD       ARG  35   0.666  14.750  14.750
  276    HE   ARG  35           HE       ARG  35   1.074  13.051  13.051
  277   1HH1  ARG  35          2HH2      ARG  35  -1.267  14.494  14.494
  278   2HH1  ARG  35          1HH2      ARG  35  -2.598  14.335  14.335
  279    HH2  ARG  35          1HH       ARG  35  -2.231  13.361  13.361
  280    H    ASP  36           H        ASP  36   0.786  11.979  11.979
  281    HA   ASP  36           HA       ASP  36   1.796   9.577   9.577
  282   1HB   ASP  36          2HB       ASP  36   2.268  10.923  10.923
  283   2HB   ASP  36          1HB       ASP  36   2.672  12.306  12.306
  284    HD2  ASP  36          2HD       ASP  36   5.092  11.122  11.122
  285    H    GLY  37           H        GLY  37   3.519   8.311   8.311
  286   1HA   GLY  37          1HA       GLY  37   5.604   7.991   7.991
  287   2HA   GLY  37          2HA       GLY  37   5.570   9.619   9.619
  288    H    ALA  38           H        ALA  38   2.626   9.172   9.172
  289    HA   ALA  38           HA       ALA  38   3.008   8.679   8.679
  290   1HB   ALA  38          2HB       ALA  38   0.655   8.276   8.276
  291   2HB   ALA  38          3HB       ALA  38   0.518   7.925   7.925
  292   3HB   ALA  38          1HB       ALA  38   0.934   9.568   9.568
  293    H    LYS  39           H        LYS  39   3.751   6.966   6.966
  294    HA   LYS  39           HA       LYS  39   4.260   4.503   4.503
  295   1HB   LYS  39          2HB       LYS  39   5.515   5.429   5.429
  296   2HB   LYS  39          1HB       LYS  39   4.114   5.215   5.215
  297   1HG   LYS  39          2HG       LYS  39   4.898   2.777   2.777
  298   2HG   LYS  39          1HG       LYS  39   6.099   3.324   3.324
  299   1HD   LYS  39          2HD       LYS  39   3.663   3.544   3.544
  300   2HD   LYS  39          1HD       LYS  39   3.486   2.061   2.061
  301   1HE   LYS  39          2HE       LYS  39   5.281   1.005   1.005
  302   2HE   LYS  39          1HE       LYS  39   6.103   2.513   2.513
  303   1HZ   LYS  39          1HZ       LYS  39   3.595   2.464   2.464
  304   2HZ   LYS  39          2HZ       LYS  39   4.424   1.117   1.117
  305    H    CYS  40           H        CYS  40   3.274   2.423   2.423
  306    HA   CYS  40           HA       CYS  40   0.807   2.236   2.236
  307   1HB   CYS  40          2HB       CYS  40  -0.222   3.300   3.300
  308   2HB   CYS  40          1HB       CYS  40   0.783   2.490   2.490
  309    H    GLU  41           H        GLU  41  -0.059  -0.082  -0.082
  310    HA   GLU  41           HA       GLU  41   2.106  -1.836  -1.836
  311   1HB   GLU  41          2HB       GLU  41   0.294  -2.472  -2.472
  312   2HB   GLU  41          1HB       GLU  41   1.810  -3.235  -3.235
  313   1HG   GLU  41          2HG       GLU  41   2.359  -1.790  -1.790
  314   2HG   GLU  41          1HG       GLU  41   2.935  -0.948  -0.948
  315    HE1  GLU  41          2HE       GLU  41   0.163  -0.371  -0.371
  316    H    PHE  42           H        PHE  42   1.477  -3.816  -3.816
  317    HA   PHE  42           HA       PHE  42  -1.345  -3.828  -3.828
  318   1HB   PHE  42          2HB       PHE  42   0.321  -3.587  -3.587
  319   2HB   PHE  42          1HB       PHE  42   1.275  -4.910  -4.910
  320    HD1  PHE  42          2HD       PHE  42  -2.385  -4.627  -4.627
  321    HD2  PHE  42          1HD       PHE  42   1.264  -6.609  -6.609
  322    HE1  PHE  42          2HE       PHE  42  -3.613  -6.232  -6.232
  323    HE2  PHE  42          1HE       PHE  42   0.035  -8.215  -8.215
  324    HZ   PHE  42           HZ       PHE  42  -2.389  -8.007  -8.007
  325    H    ASP  43           H        ASP  43  -2.405  -5.121  -5.121
  326    HA   ASP  43           HA       ASP  43  -1.233  -7.275  -7.275
  327   1HB   ASP  43          2HB       ASP  43  -3.509  -5.941  -5.941
  328   2HB   ASP  43          1HB       ASP  43  -4.197  -7.201  -7.201
  329    HD1  ASP  43          2HD       ASP  43  -3.025  -7.764  -7.764
  330    H    SER  44           H        SER  44  -0.718  -9.308  -9.308
  331    HA   SER  44           HA       SER  44  -1.714  -9.953  -9.953
  332   1HB   SER  44          2HB       SER  44   0.084 -11.420 -11.420
  333   2HB   SER  44          1HB       SER  44   0.731 -10.250 -10.250
  334    HG   SER  44           HG       SER  44   0.312 -12.920 -12.920
  335    H    TYR  45           H        TYR  45  -3.132 -10.110 -10.110
  336    HA   TYR  45           HA       TYR  45  -3.966 -12.907 -12.907
  337   1HB   TYR  45          2HB       TYR  45  -4.982 -10.883 -10.883
  338   2HB   TYR  45          1HB       TYR  45  -4.501 -12.544 -12.544
  339    HD1  TYR  45           HD1      TYR  45  -1.726 -12.308 -12.308
  340    HD2  TYR  45           HD2      TYR  45  -3.768  -9.886  -9.886
  341    HE1  TYR  45           HE1      TYR  45   0.505 -11.502 -11.502
  342    HE2  TYR  45           HE2      TYR  45  -1.530  -9.088  -9.088
  343    HH   TYR  45           HH       TYR  45   1.173 -10.546 -10.546
  344    H    LYS  46           H        LYS  46  -4.937  -9.711  -9.711
  345    HA   LYS  46           HA       LYS  46  -7.548 -10.787 -10.787
  346   1HB   LYS  46          2HB       LYS  46  -8.198  -8.218  -8.218
  347   2HB   LYS  46          1HB       LYS  46  -8.541  -9.664  -9.664
  348   1HG   LYS  46          2HG       LYS  46  -6.281  -9.402  -9.402
  349   2HG   LYS  46          1HG       LYS  46  -6.076  -7.882  -7.882
  350   1HD   LYS  46          2HD       LYS  46  -7.071  -6.987  -6.987
  351   2HD   LYS  46          1HD       LYS  46  -8.559  -7.469  -7.469
  352   1HE   LYS  46          2HE       LYS  46  -8.391  -9.710  -9.710
  353   2HE   LYS  46          1HE       LYS  46  -7.015  -9.076  -9.076
  354   1HZ   LYS  46          1HZ       LYS  46  -8.739  -8.508  -8.508
  355   2HZ   LYS  46          2HZ       LYS  46  -8.706  -7.142  -7.142
  356    H    GLY  47           H        GLY  47  -5.174  -8.064  -8.064
  357   1HA   GLY  47          1HA       GLY  47  -4.233  -7.399  -7.399
  358   2HA   GLY  47          2HA       GLY  47  -5.622  -8.030  -8.030
  359    H    LYS  48           H        LYS  48  -6.220  -6.219  -6.219
  360    HA   LYS  48           HA       LYS  48  -7.828  -4.353  -4.353
  361   1HB   LYS  48          2HB       LYS  48  -6.716  -4.534  -4.534
  362   2HB   LYS  48          1HB       LYS  48  -7.712  -3.187  -3.187
  363   1HG   LYS  48          2HG       LYS  48  -9.395  -5.005  -5.005
  364   2HG   LYS  48          1HG       LYS  48  -8.467  -6.131  -6.131
  365   1HD   LYS  48          2HD       LYS  48  -9.701  -3.558  -3.558
  366   2HD   LYS  48          1HD       LYS  48 -10.464  -5.131  -5.131
  367   1HE   LYS  48          2HE       LYS  48  -9.136  -5.775  -5.775
  368   2HE   LYS  48          1HE       LYS  48  -7.678  -5.215  -5.215
  369   1HZ   LYS  48          1HZ       LYS  48  -8.834  -2.884  -2.884
  370   2HZ   LYS  48          2HZ       LYS  48  -9.368  -3.799  -3.799
  371    H    CYS  49           H        CYS  49  -5.757  -2.689  -2.689
  372    HA   CYS  49           HA       CYS  49  -3.595  -1.949  -1.949
  373   1HB   CYS  49          2HB       CYS  49  -4.565  -1.250  -1.250
  374   2HB   CYS  49          1HB       CYS  49  -6.011  -0.646  -0.646
  375    H    TYR  50           H        TYR  50  -3.261  -1.893  -1.893
  376    HA   TYR  50           HA       TYR  50  -4.641  -0.088  -0.088
  377   1HB   TYR  50          2HB       TYR  50  -1.969  -1.586  -1.586
  378   2HB   TYR  50          1HB       TYR  50  -2.325  -0.508  -0.508
  379    HD1  TYR  50           HD2      TYR  50  -5.085  -2.345  -2.345
  380    HD2  TYR  50           HD1      TYR  50  -2.169  -2.402  -2.402
  381    HE1  TYR  50           HE2      TYR  50  -6.364  -4.207  -4.207
  382    HE2  TYR  50           HE1      TYR  50  -3.458  -4.264  -4.264
  383    HH   TYR  50           HH       TYR  50  -5.505  -5.244  -5.244
  384    H    CYS  51           H        CYS  51  -4.565   1.795   1.795
  385    HA   CYS  51           HA       CYS  51  -2.103   3.093   3.093
  386   1HB   CYS  51          2HB       CYS  51  -3.633   5.054   5.054
  387   2HB   CYS  51          1HB       CYS  51  -3.709   3.605   3.605

  Start of MODEL   29
    1    H    ALA   1           H        ALA   1   3.791 -11.792 -11.792
    2    HA   ALA   1           HA       ALA   1   4.954 -10.756 -10.756
    3   1HB   ALA   1          2HB       ALA   1   2.912 -12.765 -12.765
    4   2HB   ALA   1          3HB       ALA   1   3.010 -11.769 -11.769
    5   3HB   ALA   1          1HB       ALA   1   4.464 -12.589 -12.589
    6    H    THR   2           H        THR   2   3.747  -8.530  -8.530
    7    HA   THR   2           HA       THR   2   2.040  -7.390  -7.390
    8    HB   THR   2           HB       THR   2   3.009  -5.883  -5.883
    9    HG1  THR   2          1HG       THR   2   1.025  -8.044  -8.044
   10   1HG2  THR   2          3HG2      THR   2   0.959  -5.504  -5.504
   11   2HG2  THR   2          1HG2      THR   2   0.115  -6.304  -6.304
   12   3HG2  THR   2          2HG2      THR   2   1.000  -4.786  -4.786
   13    H    TYR   3           H        TYR   3   2.709  -6.116  -6.116
   14    HA   TYR   3           HA       TYR   3   5.542  -5.412  -5.412
   15   1HB   TYR   3          2HB       TYR   3   3.382  -5.043  -5.043
   16   2HB   TYR   3          1HB       TYR   3   5.108  -5.194  -5.194
   17    HD1  TYR   3           HD1      TYR   3   5.079  -7.599  -7.599
   18    HD2  TYR   3           HD2      TYR   3   3.114  -6.804  -6.804
   19    HE1  TYR   3           HE1      TYR   3   4.798 -10.095 -10.095
   20    HE2  TYR   3           HE2      TYR   3   2.840  -9.303  -9.303
   21    HH   TYR   3           HH       TYR   3   2.845 -11.455 -11.455
   22    H    ASN   4           H        ASN   4   6.133  -3.425  -3.425
   23    HA   ASN   4           HA       ASN   4   4.113  -1.386  -1.386
   24   1HB   ASN   4          2HB       ASN   4   6.976  -0.817  -0.817
   25   2HB   ASN   4          1HB       ASN   4   5.504  -0.316  -0.316
   26   1HD2  ASN   4          2HD2      ASN   4   5.034  -3.300  -3.300
   27   2HD2  ASN   4          1HD2      ASN   4   4.221  -2.000  -2.000
   28    H    GLY   5           H        GLY   5   4.776   0.903   0.903
   29   1HA   GLY   5          1HA       GLY   5   6.906   1.346   1.346
   30   2HA   GLY   5          2HA       GLY   5   5.542   0.813   0.813
   31    H    LYS   6           H        LYS   6   4.906   2.720   2.720
   32    HA   LYS   6           HA       LYS   6   3.876   4.768   4.768
   33   1HB   LYS   6          2HB       LYS   6   5.689   5.313   5.313
   34   2HB   LYS   6          1HB       LYS   6   4.808   6.536   6.536
   35   1HG   LYS   6          2HG       LYS   6   6.002   5.932   5.932
   36   2HG   LYS   6          1HG       LYS   6   6.818   4.614   4.614
   37   1HD   LYS   6          2HD       LYS   6   7.832   6.317   6.317
   38   2HD   LYS   6          1HD       LYS   6   7.117   7.589   7.589
   39   1HE   LYS   6          2HE       LYS   6   8.841   5.493   5.493
   40   2HE   LYS   6          1HE       LYS   6   9.611   6.796   6.796
   41   1HZ   LYS   6          1HZ       LYS   6   9.053   7.158   7.158
   42   2HZ   LYS   6          2HZ       LYS   6   8.723   8.381   8.381
   43    H    CYS   7           H        CYS   7   2.173   6.098   6.098
   44    HA   CYS   7           HA       CYS   7   1.032   4.789   4.789
   45   1HB   CYS   7          2HB       CYS   7  -1.220   5.493   5.493
   46   2HB   CYS   7          1HB       CYS   7  -0.436   3.984   3.984
   47    H    TYR   8           H        TYR   8  -0.456   6.306   6.306
   48    HA   TYR   8           HA       TYR   8   0.331   9.107   9.107
   49   1HB   TYR   8          2HB       TYR   8  -0.168   7.439   7.439
   50   2HB   TYR   8          1HB       TYR   8   0.116   9.168   9.168
   51    HD1  TYR   8           HD2      TYR   8   1.739   6.087   6.087
   52    HD2  TYR   8           HD1      TYR   8   2.264   9.869   9.869
   53    HE1  TYR   8           HE2      TYR   8   4.245   5.679   5.679
   54    HE2  TYR   8           HE1      TYR   8   4.768   9.448   9.448
   55    HH   TYR   8           HH       TYR   8   6.427   8.198   8.198
   56    H    LYS   9           H        LYS   9  -1.284  10.659  10.659
   57    HA   LYS   9           HA       LYS   9  -3.971   9.627   9.627
   58   1HB   LYS   9          2HB       LYS   9  -4.575  11.735  11.735
   59   2HB   LYS   9          1HB       LYS   9  -3.025  11.353  11.353
   60   1HG   LYS   9          2HG       LYS   9  -1.856  12.799  12.799
   61   2HG   LYS   9          1HG       LYS   9  -3.343  13.083  13.083
   62   1HD   LYS   9          2HD       LYS   9  -3.513  13.717  13.717
   63   2HD   LYS   9          1HD       LYS   9  -2.368  14.708  14.708
   64   1HE   LYS   9          2HE       LYS   9  -4.463  14.788  14.788
   65   2HE   LYS   9          1HE       LYS   9  -5.352  14.563  14.563
   66   1HZ   LYS   9          1HZ       LYS   9  -5.050  16.753  16.753
   67   2HZ   LYS   9          2HZ       LYS   9  -3.462  16.489  16.489
   68    H    LYS  10           H        LYS  10  -1.977  11.819  11.819
   69    HA   LYS  10           HA       LYS  10  -4.025  12.502  12.502
   70   1HB   LYS  10          2HB       LYS  10  -1.231  12.968  12.968
   71   2HB   LYS  10          1HB       LYS  10  -1.491  12.408  12.408
   72   1HG   LYS  10          2HG       LYS  10  -3.564  14.119  14.119
   73   2HG   LYS  10          1HG       LYS  10  -2.595  14.861  14.861
   74   1HD   LYS  10          2HD       LYS  10  -1.436  15.915  15.915
   75   2HD   LYS  10          1HD       LYS  10  -0.732  14.361  14.361
   76   1HE   LYS  10          2HE       LYS  10  -3.313  14.348  14.348
   77   2HE   LYS  10          1HE       LYS  10  -2.669  15.948  15.948
   78   1HZ   LYS  10          1HZ       LYS  10  -0.949  13.602  13.602
   79   2HZ   LYS  10          2HZ       LYS  10  -2.051  14.013  14.013
   80    H    ASP  11           H        ASP  11  -2.273   9.519   9.519
   81    HA   ASP  11           HA       ASP  11  -3.350   8.566   8.566
   82   1HB   ASP  11          2HB       ASP  11  -0.846   7.959   7.959
   83   2HB   ASP  11          1HB       ASP  11  -1.595   6.608   6.608
   84    HD2  ASP  11          2HD       ASP  11   0.472   7.587   7.587
   85    H    ASN  12           H        ASN  12  -3.690   8.601   8.601
   86    HA   ASN  12           HA       ASN  12  -4.530   7.252   7.252
   87   1HB   ASN  12          2HB       ASN  12  -6.618   7.986   7.986
   88   2HB   ASN  12          1HB       ASN  12  -6.430   6.976   6.976
   89   1HD2  ASN  12          2HD2      ASN  12  -7.531   5.292   5.292
   90   2HD2  ASN  12          1HD2      ASN  12  -6.553   6.719   6.719
   91    H    ILE  13           H        ILE  13  -2.460   5.803   5.803
   92    HA   ILE  13           HA       ILE  13  -3.454   3.107   3.107
   93    HB   ILE  13           HB       ILE  13  -1.271   2.714   2.714
   94   1HG1  ILE  13          2HG1      ILE  13  -0.634   4.799   4.799
   95   2HG1  ILE  13          3HG1      ILE  13  -1.439   5.730   5.730
   96   1HG2  ILE  13          1HG2      ILE  13  -3.875   3.711   3.711
   97   2HG2  ILE  13          2HG2      ILE  13  -2.591   4.061   4.061
   98   3HG2  ILE  13          3HG2      ILE  13  -2.882   2.386   2.386
   99   1HD1  ILE  13          2HD1      ILE  13   0.738   3.682   3.682
  100   2HD1  ILE  13          3HD1      ILE  13   1.061   5.414   5.414
  101   3HD1  ILE  13          1HD1      ILE  13   0.051   4.888   4.888
  102    H    CYS  14           H        CYS  14  -1.290   1.591   1.591
  103    HA   CYS  14           HA       CYS  14  -0.067   2.677   2.677
  104   1HB   CYS  14          2HB       CYS  14  -2.028   0.606   0.606
  105   2HB   CYS  14          1HB       CYS  14  -0.497  -0.122  -0.122
  106    H    LYS  15           H        LYS  15   2.047   2.849   2.849
  107    HA   LYS  15           HA       LYS  15   3.077   0.702   0.702
  108   1HB   LYS  15          2HB       LYS  15   3.813   3.554   3.554
  109   2HB   LYS  15          1HB       LYS  15   5.092   2.449   2.449
  110   1HG   LYS  15          2HG       LYS  15   4.381   2.393   2.393
  111   2HG   LYS  15          1HG       LYS  15   2.744   1.998   1.998
  112   1HD   LYS  15          2HD       LYS  15   2.257   4.074   4.074
  113   2HD   LYS  15          1HD       LYS  15   2.794   4.633   4.633
  114   1HE   LYS  15          2HE       LYS  15   4.479   4.462   4.462
  115   2HE   LYS  15          1HE       LYS  15   3.937   5.926   5.926
  116   1HZ   LYS  15          1HZ       LYS  15   6.163   4.238   4.238
  117   2HZ   LYS  15          2HZ       LYS  15   5.900   5.794   5.794
  118    H    TYR  16           H        TYR  16   4.778  -0.650  -0.650
  119    HA   TYR  16           HA       TYR  16   6.198  -0.207  -0.207
  120   1HB   TYR  16          2HB       TYR  16   5.223  -2.495  -2.495
  121   2HB   TYR  16          1HB       TYR  16   4.198  -1.083  -1.083
  122    HD1  TYR  16           HD2      TYR  16   4.601  -2.354  -2.354
  123    HD2  TYR  16           HD1      TYR  16   2.289  -2.708  -2.708
  124    HE1  TYR  16           HE2      TYR  16   2.760  -3.536  -3.536
  125    HE2  TYR  16           HE1      TYR  16   0.456  -3.888  -3.888
  126    HH   TYR  16           HH       TYR  16   0.767  -5.362  -5.362
  127    H    LYS  17           H        LYS  17   7.093  -2.776  -2.776
  128    HA   LYS  17           HA       LYS  17   8.132  -3.651  -3.651
  129   1HB   LYS  17          2HB       LYS  17   9.554  -2.593  -2.593
  130   2HB   LYS  17          1HB       LYS  17  10.036  -4.255  -4.255
  131   1HG   LYS  17          2HG       LYS  17  10.206  -3.562  -3.562
  132   2HG   LYS  17          1HG       LYS  17  10.189  -1.915  -1.915
  133   1HD   LYS  17          2HD       LYS  17  12.321  -2.058  -2.058
  134   2HD   LYS  17          1HD       LYS  17  12.066  -3.664  -3.664
  135   1HE   LYS  17          2HE       LYS  17  12.660  -4.736  -4.736
  136   2HE   LYS  17          1HE       LYS  17  12.243  -3.349  -3.349
  137   1HZ   LYS  17          1HZ       LYS  17  14.447  -3.055  -3.055
  138   2HZ   LYS  17          2HZ       LYS  17  14.737  -3.878  -3.878
  139    H    ALA  18           H        ALA  18   6.707  -5.369  -5.369
  140    HA   ALA  18           HA       ALA  18   5.572  -7.020  -7.020
  141   1HB   ALA  18          3HB       ALA  18   5.680  -7.013  -7.013
  142   2HB   ALA  18          1HB       ALA  18   6.991  -8.197  -8.197
  143   3HB   ALA  18          2HB       ALA  18   5.362  -8.546  -8.546
  144    H    GLN  19           H        GLN  19   6.078  -9.121  -9.121
  145    HA   GLN  19           HA       GLN  19   8.431  -9.058  -9.058
  146   1HB   GLN  19          2HB       GLN  19   6.113 -10.447 -10.447
  147   2HB   GLN  19          1HB       GLN  19   7.118 -11.715 -11.715
  148   1HG   GLN  19          2HG       GLN  19   8.040 -10.060 -10.060
  149   2HG   GLN  19          1HG       GLN  19   7.037 -11.482 -11.482
  150   1HE2  GLN  19          2HE2      GLN  19   9.521 -13.753 -13.753
  151   2HE2  GLN  19          1HE2      GLN  19   7.848 -13.342 -13.342
  152    H    SER  20           H        SER  20   7.778 -10.125 -10.125
  153    HA   SER  20           HA       SER  20  10.365 -11.472 -11.472
  154   1HB   SER  20          2HB       SER  20   9.270 -12.322 -12.322
  155   2HB   SER  20          1HB       SER  20   9.027 -13.160 -13.160
  156    HG   SER  20           HG       SER  20   7.166 -11.986 -11.986
  157    H    GLY  21           H        GLY  21   8.740  -8.617  -8.617
  158   1HA   GLY  21          1HA       GLY  21   9.559  -6.785  -6.785
  159   2HA   GLY  21          2HA       GLY  21  10.886  -7.735  -7.735
  160    H    LYS  22           H        LYS  22   7.837  -9.302  -9.302
  161    HA   LYS  22           HA       LYS  22   8.010  -8.819  -8.819
  162   1HB   LYS  22          2HB       LYS  22   7.465 -11.037 -11.037
  163   2HB   LYS  22          1HB       LYS  22   5.827 -10.417 -10.417
  164   1HG   LYS  22          2HG       LYS  22   6.270 -10.033 -10.033
  165   2HG   LYS  22          1HG       LYS  22   7.620 -11.128 -11.128
  166   1HD   LYS  22          2HD       LYS  22   6.206 -12.892 -12.892
  167   2HD   LYS  22          1HD       LYS  22   5.385 -12.342 -12.342
  168   1HE   LYS  22          2HE       LYS  22   3.712 -12.488 -12.488
  169   2HE   LYS  22          1HE       LYS  22   3.995 -10.783 -10.783
  170   1HZ   LYS  22          1HZ       LYS  22   4.608 -12.336 -12.336
  171   2HZ   LYS  22          2HZ       LYS  22   4.327 -10.737 -10.737
  172    H    THR  23           H        THR  23   5.466  -8.430  -8.430
  173    HA   THR  23           HA       THR  23   3.703  -6.997  -6.997
  174    HB   THR  23           HB       THR  23   3.961  -7.907  -7.907
  175    HG1  THR  23          1HG       THR  23   1.935  -8.361  -8.361
  176   1HG2  THR  23          3HG2      THR  23   4.152  -5.232  -5.232
  177   2HG2  THR  23          1HG2      THR  23   2.414  -5.313  -5.313
  178   3HG2  THR  23          2HG2      THR  23   3.052  -6.137  -6.137
  179    H    ALA  24           H        ALA  24   2.982  -4.640  -4.640
  180    HA   ALA  24           HA       ALA  24   4.746  -2.794  -2.794
  181   1HB   ALA  24          3HB       ALA  24   5.263  -3.556  -3.556
  182   2HB   ALA  24          1HB       ALA  24   5.444  -1.855  -1.855
  183   3HB   ALA  24          2HB       ALA  24   6.415  -3.117  -3.117
  184    H    ILE  25           H        ILE  25   3.436  -1.082  -1.082
  185    HA   ILE  25           HA       ILE  25   1.733   0.315   0.315
  186    HB   ILE  25           HB       ILE  25   1.542  -0.144  -0.144
  187   1HG1  ILE  25          2HG1      ILE  25   3.410   1.921   1.921
  188   2HG1  ILE  25          3HG1      ILE  25   3.929   0.578   0.578
  189   1HG2  ILE  25          2HG2      ILE  25   0.797   1.983   1.983
  190   2HG2  ILE  25          3HG2      ILE  25   1.425   2.513   2.513
  191   3HG2  ILE  25          1HG2      ILE  25  -0.002   1.453   1.453
  192   1HD1  ILE  25          3HD1      ILE  25   3.765  -0.947  -0.947
  193   2HD1  ILE  25          1HD1      ILE  25   3.318   0.455   0.455
  194   3HD1  ILE  25          2HD1      ILE  25   4.928   0.378   0.378
  195    H    CYS  26           H        CYS  26  -0.369   0.077   0.077
  196    HA   CYS  26           HA       CYS  26  -1.958  -1.930  -1.930
  197   1HB   CYS  26          2HB       CYS  26  -1.198  -3.378  -3.378
  198   2HB   CYS  26          1HB       CYS  26  -1.073  -2.129  -2.129
  199    H    LYS  27           H        LYS  27  -3.577  -0.537  -0.537
  200    HA   LYS  27           HA       LYS  27  -4.265   1.861   1.861
  201   1HB   LYS  27          2HB       LYS  27  -6.383  -0.168  -0.168
  202   2HB   LYS  27          1HB       LYS  27  -6.397   1.562   1.562
  203   1HG   LYS  27          2HG       LYS  27  -5.585   1.067   1.067
  204   2HG   LYS  27          1HG       LYS  27  -4.045   0.828   0.828
  205   1HD   LYS  27          2HD       LYS  27  -5.501  -1.597  -1.597
  206   2HD   LYS  27          1HD       LYS  27  -5.762  -1.143  -1.143
  207   1HE   LYS  27          2HE       LYS  27  -3.066  -0.653  -0.653
  208   2HE   LYS  27          1HE       LYS  27  -3.232  -1.954  -1.954
  209   1HZ   LYS  27          1HZ       LYS  27  -2.963  -3.114  -3.114
  210   2HZ   LYS  27          2HZ       LYS  27  -4.590  -3.048  -3.048
  211    H    CYS  28           H        CYS  28  -5.426   2.846   2.846
  212    HA   CYS  28           HA       CYS  28  -5.771   1.164   1.164
  213   1HB   CYS  28          2HB       CYS  28  -5.542   4.102   4.102
  214   2HB   CYS  28          1HB       CYS  28  -6.379   3.563   3.563
  215    H    TYR  29           H        TYR  29  -7.756   0.252   0.252
  216    HA   TYR  29           HA       TYR  29 -10.083   1.505   1.505
  217   1HB   TYR  29          2HB       TYR  29 -10.936  -0.746  -0.746
  218   2HB   TYR  29          1HB       TYR  29  -9.220  -1.006  -1.006
  219    HD1  TYR  29           HD1      TYR  29  -7.772  -1.631  -1.631
  220    HD2  TYR  29           HD2      TYR  29 -12.047  -1.611  -1.611
  221    HE1  TYR  29           HE1      TYR  29  -7.706  -3.110  -3.110
  222    HE2  TYR  29           HE2      TYR  29 -11.967  -3.090  -3.090
  223    HH   TYR  29           HH       TYR  29  -9.202  -3.535  -3.535
  224    H    VAL  30           H        VAL  30  -8.508   1.934   1.934
  225    HA   VAL  30           HA       VAL  30 -11.005   2.039   2.039
  226    HB   VAL  30           HB       VAL  30  -9.823   1.428   1.428
  227   1HG1  VAL  30          2HG1      VAL  30  -9.649  -0.338  -0.338
  228   2HG1  VAL  30          3HG1      VAL  30  -8.704  -0.835  -0.835
  229   3HG1  VAL  30          1HG1      VAL  30 -10.461  -0.591  -0.591
  230   1HG2  VAL  30          3HG2      VAL  30  -7.532   2.349   2.349
  231   2HG2  VAL  30          1HG2      VAL  30  -7.641   1.780   1.780
  232   3HG2  VAL  30          2HG2      VAL  30  -7.249   0.633   0.633
  233    H    LYS  31           H        LYS  31  -9.166   3.273   3.273
  234    HA   LYS  31           HA       LYS  31  -9.775   5.894   5.894
  235   1HB   LYS  31          2HB       LYS  31  -7.470   4.722   4.722
  236   2HB   LYS  31          1HB       LYS  31  -8.043   6.372   6.372
  237   1HG   LYS  31          2HG       LYS  31 -10.410   4.952   4.952
  238   2HG   LYS  31          1HG       LYS  31  -9.265   3.854   3.854
  239   1HD   LYS  31          2HD       LYS  31  -9.379   5.123   5.123
  240   2HD   LYS  31          1HD       LYS  31  -8.530   6.386   6.386
  241   1HE   LYS  31          2HE       LYS  31 -10.816   7.153   7.153
  242   2HE   LYS  31          1HE       LYS  31 -11.553   6.028   6.028
  243   1HZ   LYS  31          1HZ       LYS  31  -9.664   7.551   7.551
  244   2HZ   LYS  31          2HZ       LYS  31 -10.582   8.594   8.594
  245    H    LYS  32           H        LYS  32  -9.396   6.761   6.761
  246    HA   LYS  32           HA       LYS  32  -7.381   6.381   6.381
  247   1HB   LYS  32          2HB       LYS  32  -9.017   7.817   7.817
  248   2HB   LYS  32          1HB       LYS  32  -9.012   8.791   8.791
  249   1HG   LYS  32          2HG       LYS  32  -6.726   9.660   9.660
  250   2HG   LYS  32          1HG       LYS  32  -6.804   8.736   8.736
  251   1HD   LYS  32          2HD       LYS  32  -7.487  11.176  11.176
  252   2HD   LYS  32          1HD       LYS  32  -8.670  10.028  10.028
  253   1HE   LYS  32          2HE       LYS  32 -10.148  10.398  10.398
  254   2HE   LYS  32          1HE       LYS  32  -8.872  10.912  10.912
  255   1HZ   LYS  32          1HZ       LYS  32  -9.003  13.036  13.036
  256   2HZ   LYS  32          2HZ       LYS  32  -9.236  12.613  12.613
  257    H    CYS  33           H        CYS  33  -5.319   7.434   7.434
  258    HA   CYS  33           HA       CYS  33  -3.669   7.496   7.496
  259   1HB   CYS  33          2HB       CYS  33  -2.699   6.820   6.820
  260   2HB   CYS  33          1HB       CYS  33  -3.281   8.229   8.229
  261    HA   PRO  34           HA       PRO  34  -4.220  11.675  11.675
  262   1HB   PRO  34          2HB       PRO  34  -2.093  11.989  11.989
  263   2HB   PRO  34          1HB       PRO  34  -3.601  11.240  11.240
  264   1HG   PRO  34          2HG       PRO  34  -1.004   9.961   9.961
  265   2HG   PRO  34          1HG       PRO  34  -2.372   9.309   9.309
  266   1HD   PRO  34          2HD       PRO  34  -1.610   8.685   8.685
  267   2HD   PRO  34          1HD       PRO  34  -3.041   8.124   8.124
  268    H    ARG  35           H        ARG  35  -1.087  10.670  10.670
  269    HA   ARG  35           HA       ARG  35  -1.041  12.687  12.687
  270   1HB   ARG  35          2HB       ARG  35   0.998  13.965  13.965
  271   2HB   ARG  35          1HB       ARG  35  -0.596  14.361  14.361
  272   1HG   ARG  35          2HG       ARG  35  -0.243  12.769  12.769
  273   2HG   ARG  35          1HG       ARG  35   1.362  12.411  12.411
  274   1HD   ARG  35          2HD       ARG  35   1.463  14.113  14.113
  275   2HD   ARG  35          1HD       ARG  35   2.036  14.783  14.783
  276    HE   ARG  35           HE       ARG  35  -0.479  15.474  15.474
  277   1HH1  ARG  35          1HH2      ARG  35   0.572  17.148  17.148
  278   2HH1  ARG  35          2HH2      ARG  35   1.434  15.758  15.758
  279    HH2  ARG  35          1HH       ARG  35  -1.217  18.042  18.042
  280    H    ASP  36           H        ASP  36   0.952  12.565  12.565
  281    HA   ASP  36           HA       ASP  36   1.895  10.079  10.079
  282   1HB   ASP  36          2HB       ASP  36   2.553  11.374  11.374
  283   2HB   ASP  36          1HB       ASP  36   2.726  12.808  12.808
  284    HD2  ASP  36          2HD       ASP  36   4.612  13.505  13.505
  285    H    GLY  37           H        GLY  37   3.447   8.779   8.779
  286   1HA   GLY  37          1HA       GLY  37   5.532   8.498   8.498
  287   2HA   GLY  37          2HA       GLY  37   5.390  10.092  10.092
  288    H    ALA  38           H        ALA  38   2.430   9.596   9.596
  289    HA   ALA  38           HA       ALA  38   2.562   9.004   9.004
  290   1HB   ALA  38          3HB       ALA  38   0.399   8.323   8.323
  291   2HB   ALA  38          1HB       ALA  38   0.164   8.223   8.223
  292   3HB   ALA  38          2HB       ALA  38   0.531   9.790   9.790
  293    H    LYS  39           H        LYS  39   3.230   7.310   7.310
  294    HA   LYS  39           HA       LYS  39   4.052   4.914   4.914
  295   1HB   LYS  39          2HB       LYS  39   5.036   5.894   5.894
  296   2HB   LYS  39          1HB       LYS  39   3.561   5.538   5.538
  297   1HG   LYS  39          2HG       LYS  39   4.627   3.199   3.199
  298   2HG   LYS  39          1HG       LYS  39   5.742   3.817   3.817
  299   1HD   LYS  39          2HD       LYS  39   3.482   3.873   3.873
  300   2HD   LYS  39          1HD       LYS  39   3.015   2.606   2.606
  301   1HE   LYS  39          2HE       LYS  39   4.790   1.175   1.175
  302   2HE   LYS  39          1HE       LYS  39   5.743   2.493   2.493
  303   1HZ   LYS  39          1HZ       LYS  39   3.871   2.734   2.734
  304   2HZ   LYS  39          2HZ       LYS  39   3.318   1.287   1.287
  305    H    CYS  40           H        CYS  40   3.188   2.759   2.759
  306    HA   CYS  40           HA       CYS  40   0.532   2.490   2.490
  307   1HB   CYS  40          2HB       CYS  40  -0.135   1.429   1.429
  308   2HB   CYS  40          1HB       CYS  40  -0.405   3.121   3.121
  309    H    GLU  41           H        GLU  41  -0.168   0.019   0.019
  310    HA   GLU  41           HA       GLU  41   2.134  -1.650  -1.650
  311   1HB   GLU  41          2HB       GLU  41   1.372  -2.972  -2.972
  312   2HB   GLU  41          1HB       GLU  41   2.396  -1.563  -1.563
  313   1HG   GLU  41          2HG       GLU  41  -0.643  -1.369  -1.369
  314   2HG   GLU  41          1HG       GLU  41   0.318  -1.719  -1.719
  315    HE2  GLU  41          2HE       GLU  41  -0.123   1.847   1.847
  316    H    PHE  42           H        PHE  42   1.565  -3.826  -3.826
  317    HA   PHE  42           HA       PHE  42  -1.287  -4.080  -4.080
  318   1HB   PHE  42          2HB       PHE  42   0.288  -3.877  -3.877
  319   2HB   PHE  42          1HB       PHE  42   1.300  -5.145  -5.145
  320    HD1  PHE  42          2HD       PHE  42  -2.378  -4.847  -4.847
  321    HD2  PHE  42          1HD       PHE  42   1.191  -7.040  -7.040
  322    HE1  PHE  42          2HE       PHE  42  -3.677  -6.559  -6.559
  323    HE2  PHE  42          1HE       PHE  42  -0.107  -8.752  -8.752
  324    HZ   PHE  42           HZ       PHE  42  -2.526  -8.491  -8.491
  325    H    ASP  43           H        ASP  43  -2.280  -5.466  -5.466
  326    HA   ASP  43           HA       ASP  43  -0.763  -7.390  -7.390
  327   1HB   ASP  43          2HB       ASP  43  -3.055  -6.102  -6.102
  328   2HB   ASP  43          1HB       ASP  43  -3.776  -7.507  -7.507
  329    HD1  ASP  43          2HD       ASP  43  -1.815  -9.349  -9.349
  330    H    SER  44           H        SER  44  -0.449  -9.565  -9.565
  331    HA   SER  44           HA       SER  44  -1.640 -10.378 -10.378
  332   1HB   SER  44          2HB       SER  44   0.116 -11.909 -11.909
  333   2HB   SER  44          1HB       SER  44   0.878 -10.614 -10.614
  334    HG   SER  44           HG       SER  44   1.120 -11.905 -11.905
  335    H    TYR  45           H        TYR  45  -2.345 -10.541 -10.541
  336    HA   TYR  45           HA       TYR  45  -3.101 -13.181 -13.181
  337   1HB   TYR  45          2HB       TYR  45  -4.159 -12.192 -12.192
  338   2HB   TYR  45          1HB       TYR  45  -2.944 -10.996 -10.996
  339    HD1  TYR  45           HD1      TYR  45  -4.072  -9.487  -9.487
  340    HD2  TYR  45           HD2      TYR  45  -6.039 -11.112 -11.112
  341    HE1  TYR  45           HE1      TYR  45  -5.887  -7.717  -7.717
  342    HE2  TYR  45           HE2      TYR  45  -7.848  -9.337  -9.337
  343    HH   TYR  45           HH       TYR  45  -8.458  -7.499  -7.499
  344    H    LYS  46           H        LYS  46  -4.449 -10.765 -10.765
  345    HA   LYS  46           HA       LYS  46  -6.647 -12.583 -12.583
  346   1HB   LYS  46          2HB       LYS  46  -6.979  -9.687  -9.687
  347   2HB   LYS  46          1HB       LYS  46  -8.182 -10.540 -10.540
  348   1HG   LYS  46          2HG       LYS  46  -7.824 -12.385 -12.385
  349   2HG   LYS  46          1HG       LYS  46  -7.375 -10.950 -10.950
  350   1HD   LYS  46          2HD       LYS  46  -9.687 -11.003 -11.003
  351   2HD   LYS  46          1HD       LYS  46  -9.596  -9.925  -9.925
  352   1HE   LYS  46          2HE       LYS  46 -10.045 -11.854 -11.854
  353   2HE   LYS  46          1HE       LYS  46 -10.141 -12.929 -12.929
  354   1HZ   LYS  46          1HZ       LYS  46 -11.883 -10.546 -10.546
  355   2HZ   LYS  46          2HZ       LYS  46 -12.316 -11.926 -11.926
  356    H    GLY  47           H        GLY  47  -5.285  -9.325  -9.325
  357   1HA   GLY  47          1HA       GLY  47  -3.963  -9.401  -9.401
  358   2HA   GLY  47          2HA       GLY  47  -5.345 -10.221 -10.221
  359    H    LYS  48           H        LYS  48  -5.282  -7.470  -7.470
  360    HA   LYS  48           HA       LYS  48  -6.593  -5.852  -5.852
  361   1HB   LYS  48          2HB       LYS  48  -7.287  -6.197  -6.197
  362   2HB   LYS  48          1HB       LYS  48  -7.761  -4.763  -4.763
  363   1HG   LYS  48          2HG       LYS  48  -8.424  -7.626  -7.626
  364   2HG   LYS  48          1HG       LYS  48  -9.530  -6.550  -6.550
  365   1HD   LYS  48          2HD       LYS  48 -10.151  -5.653  -5.653
  366   2HD   LYS  48          1HD       LYS  48  -8.512  -5.089  -5.089
  367   1HE   LYS  48          2HE       LYS  48  -8.381  -7.854  -7.854
  368   2HE   LYS  48          1HE       LYS  48  -9.917  -7.352  -7.352
  369   1HZ   LYS  48          1HZ       LYS  48  -8.370  -6.897  -6.897
  370   2HZ   LYS  48          2HZ       LYS  48  -8.553  -5.428  -5.428
  371    H    CYS  49           H        CYS  49  -6.070  -3.596  -3.596
  372    HA   CYS  49           HA       CYS  49  -3.413  -3.133  -3.133
  373   1HB   CYS  49          2HB       CYS  49  -3.390  -2.216  -2.216
  374   2HB   CYS  49          1HB       CYS  49  -5.131  -2.024  -2.024
  375    H    TYR  50           H        TYR  50  -3.333  -2.592  -2.592
  376    HA   TYR  50           HA       TYR  50  -5.513  -1.165  -1.165
  377   1HB   TYR  50          2HB       TYR  50  -2.896  -2.521  -2.521
  378   2HB   TYR  50          1HB       TYR  50  -3.380  -1.255  -1.255
  379    HD1  TYR  50           HD2      TYR  50  -6.068  -3.081  -3.081
  380    HD2  TYR  50           HD1      TYR  50  -3.470  -3.031  -3.031
  381    HE1  TYR  50           HE2      TYR  50  -7.597  -4.718  -4.718
  382    HE2  TYR  50           HE1      TYR  50  -5.008  -4.667  -4.667
  383    HH   TYR  50           HH       TYR  50  -7.144  -5.469  -5.469
  384    H    CYS  51           H        CYS  51  -5.154   0.693   0.693
  385    HA   CYS  51           HA       CYS  51  -2.877   2.325   2.325
  386   1HB   CYS  51          2HB       CYS  51  -5.405   3.401   3.401
  387   2HB   CYS  51          1HB       CYS  51  -3.740   3.712   3.712

  Start of MODEL   30
    1    H    ALA   1           H        ALA   1   1.711 -11.107 -11.107
    2    HA   ALA   1           HA       ALA   1   4.171 -11.156 -11.156
    3   1HB   ALA   1          1HB       ALA   1   1.425 -12.299 -12.299
    4   2HB   ALA   1          2HB       ALA   1   2.209 -11.890 -11.890
    5   3HB   ALA   1          3HB       ALA   1   2.997 -13.022 -13.022
    6    H    THR   2           H        THR   2   2.466  -8.685  -8.685
    7    HA   THR   2           HA       THR   2   1.499  -7.383  -7.383
    8    HB   THR   2           HB       THR   2   2.543  -5.782  -5.782
    9    HG1  THR   2          1HG       THR   2   1.805  -7.384  -7.384
   10   1HG2  THR   2          2HG2      THR   2   0.745  -5.084  -5.084
   11   2HG2  THR   2          3HG2      THR   2  -0.335  -6.213  -6.213
   12   3HG2  THR   2          1HG2      THR   2   0.347  -4.811  -4.811
   13    H    TYR   3           H        TYR   3   2.367  -5.636  -5.636
   14    HA   TYR   3           HA       TYR   3   5.311  -5.633  -5.633
   15   1HB   TYR   3          2HB       TYR   3   3.227  -5.315  -5.315
   16   2HB   TYR   3          1HB       TYR   3   4.959  -5.233  -5.233
   17    HD1  TYR   3           HD2      TYR   3   2.223  -7.517  -7.517
   18    HD2  TYR   3           HD1      TYR   3   6.227  -7.196  -7.196
   19    HE1  TYR   3           HE2      TYR   3   2.293 -10.030 -10.030
   20    HE2  TYR   3           HE1      TYR   3   6.284  -9.710  -9.710
   21    HH   TYR   3           HH       TYR   3   3.395 -11.662 -11.662
   22    H    ASN   4           H        ASN   4   6.228  -3.688  -3.688
   23    HA   ASN   4           HA       ASN   4   4.500  -1.425  -1.425
   24   1HB   ASN   4          2HB       ASN   4   7.458  -1.908  -1.908
   25   2HB   ASN   4          1HB       ASN   4   6.774  -0.297  -0.297
   26   1HD2  ASN   4          2HD2      ASN   4   4.981  -3.081  -3.081
   27   2HD2  ASN   4          1HD2      ASN   4   5.245  -3.387  -3.387
   28    H    GLY   5           H        GLY   5   4.746   0.529   0.529
   29   1HA   GLY   5          1HA       GLY   5   6.785   0.757   0.757
   30   2HA   GLY   5          2HA       GLY   5   5.258   0.241   0.241
   31    H    LYS   6           H        LYS   6   4.538   2.082   2.082
   32    HA   LYS   6           HA       LYS   6   3.804   4.292   4.292
   33   1HB   LYS   6          2HB       LYS   6   5.355   4.851   4.851
   34   2HB   LYS   6          1HB       LYS   6   4.876   5.981   5.981
   35   1HG   LYS   6          2HG       LYS   6   6.374   4.870   4.870
   36   2HG   LYS   6          1HG       LYS   6   6.795   3.646   3.646
   37   1HD   LYS   6          2HD       LYS   6   7.604   5.603   5.603
   38   2HD   LYS   6          1HD       LYS   6   7.468   6.616   6.616
   39   1HE   LYS   6          2HE       LYS   6   9.693   5.943   5.943
   40   2HE   LYS   6          1HE       LYS   6   8.915   4.696   4.696
   41   1HZ   LYS   6          1HZ       LYS   6   9.866   3.254   3.254
   42   2HZ   LYS   6          2HZ       LYS   6   8.827   3.744   3.744
   43    H    CYS   7           H        CYS   7   2.217   5.756   5.756
   44    HA   CYS   7           HA       CYS   7   0.839   4.304   4.304
   45   1HB   CYS   7          2HB       CYS   7  -1.251   5.452   5.452
   46   2HB   CYS   7          1HB       CYS   7  -0.633   3.962   3.962
   47    H    TYR   8           H        TYR   8  -0.663   5.901   5.901
   48    HA   TYR   8           HA       TYR   8   0.604   8.553   8.553
   49   1HB   TYR   8          2HB       TYR   8  -0.311   6.595   6.595
   50   2HB   TYR   8          1HB       TYR   8   0.139   8.253   8.253
   51    HD1  TYR   8           HD2      TYR   8   1.583   5.312   5.312
   52    HD2  TYR   8           HD1      TYR   8   2.277   8.582   8.582
   53    HE1  TYR   8           HE2      TYR   8   4.013   4.607   4.607
   54    HE2  TYR   8           HE1      TYR   8   4.706   7.866   7.866
   55    HH   TYR   8           HH       TYR   8   6.250   6.050   6.050
   56    H    LYS   9           H        LYS   9  -0.779  10.297  10.297
   57    HA   LYS   9           HA       LYS   9  -3.584   9.684   9.684
   58   1HB   LYS   9          2HB       LYS   9  -3.802  12.063  12.063
   59   2HB   LYS   9          1HB       LYS   9  -2.545  11.317  11.317
   60   1HG   LYS   9          2HG       LYS   9  -0.802  12.195  12.195
   61   2HG   LYS   9          1HG       LYS   9  -2.034  12.878  12.878
   62   1HD   LYS   9          2HD       LYS   9  -2.121  13.661  13.661
   63   2HD   LYS   9          1HD       LYS   9  -0.809  14.316  14.316
   64   1HE   LYS   9          2HE       LYS   9  -2.895  14.767  14.767
   65   2HE   LYS   9          1HE       LYS   9  -3.751  14.850  14.850
   66   1HZ   LYS   9          1HZ       LYS   9  -1.460  16.521  16.521
   67   2HZ   LYS   9          2HZ       LYS   9  -2.944  17.021  17.021
   68    H    LYS  10           H        LYS  10  -1.427  11.479  11.479
   69    HA   LYS  10           HA       LYS  10  -3.399  12.329  12.329
   70   1HB   LYS  10          2HB       LYS  10  -0.585  12.352  12.352
   71   2HB   LYS  10          1HB       LYS  10  -0.968  11.602  11.602
   72   1HG   LYS  10          2HG       LYS  10  -2.590  13.531  13.531
   73   2HG   LYS  10          1HG       LYS  10  -1.973  14.303  14.303
   74   1HD   LYS  10          2HD       LYS  10  -0.699  15.245  15.245
   75   2HD   LYS  10          1HD       LYS  10   0.379  14.092  14.092
   76   1HE   LYS  10          2HE       LYS  10   0.613  13.629  13.629
   77   2HE   LYS  10          1HE       LYS  10  -0.473  12.373  12.373
   78   1HZ   LYS  10          1HZ       LYS  10  -1.203  13.595  13.595
   79   2HZ   LYS  10          2HZ       LYS  10  -2.330  13.548  13.548
   80    H    ASP  11           H        ASP  11  -2.029   9.117   9.117
   81    HA   ASP  11           HA       ASP  11  -3.490   8.196   8.196
   82   1HB   ASP  11          2HB       ASP  11  -1.031   7.280   7.280
   83   2HB   ASP  11          1HB       ASP  11  -2.066   6.007   6.007
   84    HD2  ASP  11          2HD       ASP  11   0.469   6.885   6.885
   85    H    ASN  12           H        ASN  12  -3.439   8.401   8.401
   86    HA   ASN  12           HA       ASN  12  -4.529   7.455   7.455
   87   1HB   ASN  12          2HB       ASN  12  -6.408   8.197   8.197
   88   2HB   ASN  12          1HB       ASN  12  -6.711   6.471   6.471
   89   1HD2  ASN  12          2HD2      ASN  12  -8.376   6.254   6.254
   90   2HD2  ASN  12          1HD2      ASN  12  -7.798   5.499   5.499
   91    H    ILE  13           H        ILE  13  -2.617   5.726   5.726
   92    HA   ILE  13           HA       ILE  13  -3.916   3.130   3.130
   93    HB   ILE  13           HB       ILE  13  -2.074   2.272   2.272
   94   1HG1  ILE  13          2HG1      ILE  13  -1.602   4.137   4.137
   95   2HG1  ILE  13          3HG1      ILE  13  -1.858   5.234   5.234
   96   1HG2  ILE  13          1HG2      ILE  13  -4.706   3.089   3.089
   97   2HG2  ILE  13          2HG2      ILE  13  -3.800   3.772   3.772
   98   3HG2  ILE  13          3HG2      ILE  13  -3.731   2.024   2.024
   99   1HD1  ILE  13          2HD1      ILE  13   0.047   2.860   2.860
  100   2HD1  ILE  13          3HD1      ILE  13   0.560   4.481   4.481
  101   3HD1  ILE  13          1HD1      ILE  13  -0.073   4.240   4.240
  102    H    CYS  14           H        CYS  14  -2.256   1.408   1.408
  103    HA   CYS  14           HA       CYS  14  -0.316   2.704   2.704
  104   1HB   CYS  14          2HB       CYS  14  -1.784   1.958   1.958
  105   2HB   CYS  14          1HB       CYS  14  -2.386   0.653   0.653
  106    H    LYS  15           H        LYS  15   1.750   2.155   2.155
  107    HA   LYS  15           HA       LYS  15   2.070  -0.327  -0.327
  108   1HB   LYS  15          2HB       LYS  15   3.869   2.112   2.112
  109   2HB   LYS  15          1HB       LYS  15   4.130   0.692   0.692
  110   1HG   LYS  15          2HG       LYS  15   2.110   1.121   1.121
  111   2HG   LYS  15          1HG       LYS  15   1.593   2.375   2.375
  112   1HD   LYS  15          2HD       LYS  15   2.724   3.914   3.914
  113   2HD   LYS  15          1HD       LYS  15   4.229   3.097   3.097
  114   1HE   LYS  15          2HE       LYS  15   2.367   2.463   2.463
  115   2HE   LYS  15          1HE       LYS  15   3.924   3.261   3.261
  116   1HZ   LYS  15          1HZ       LYS  15   3.750   0.580   0.580
  117   2HZ   LYS  15          2HZ       LYS  15   3.807   0.725   0.725
  118    H    TYR  16           H        TYR  16   3.501  -1.925  -1.925
  119    HA   TYR  16           HA       TYR  16   5.185  -1.402  -1.402
  120   1HB   TYR  16          2HB       TYR  16   4.064  -3.278  -3.278
  121   2HB   TYR  16          1HB       TYR  16   2.915  -1.997  -1.997
  122    HD1  TYR  16           HD2      TYR  16   3.983  -5.403  -5.403
  123    HD2  TYR  16           HD1      TYR  16   1.018  -2.354  -2.354
  124    HE1  TYR  16           HE2      TYR  16   2.433  -7.073  -7.073
  125    HE2  TYR  16           HE1      TYR  16  -0.523  -4.035  -4.035
  126    HH   TYR  16           HH       TYR  16  -0.731  -6.042  -6.042
  127    H    LYS  17           H        LYS  17   6.608  -3.308  -3.308
  128    HA   LYS  17           HA       LYS  17   7.468  -4.462  -4.462
  129   1HB   LYS  17          2HB       LYS  17   8.454  -4.454  -4.454
  130   2HB   LYS  17          1HB       LYS  17   9.114  -5.602  -5.602
  131   1HG   LYS  17          2HG       LYS  17   9.891  -3.851  -3.851
  132   2HG   LYS  17          1HG       LYS  17   8.937  -2.632  -2.632
  133   1HD   LYS  17          2HD       LYS  17  11.152  -2.299  -2.299
  134   2HD   LYS  17          1HD       LYS  17  10.334  -3.149  -3.149
  135   1HE   LYS  17          2HE       LYS  17  11.871  -4.811  -4.811
  136   2HE   LYS  17          1HE       LYS  17  11.392  -5.156  -5.156
  137   1HZ   LYS  17          1HZ       LYS  17  13.727  -3.789  -3.789
  138   2HZ   LYS  17          2HZ       LYS  17  13.424  -4.404  -4.404
  139    H    ALA  18           H        ALA  18   7.213  -6.546  -6.546
  140    HA   ALA  18           HA       ALA  18   5.250  -8.128  -8.128
  141   1HB   ALA  18          1HB       ALA  18   5.512  -7.437  -7.437
  142   2HB   ALA  18          2HB       ALA  18   6.207  -9.075  -9.075
  143   3HB   ALA  18          3HB       ALA  18   4.547  -8.801  -8.801
  144    H    GLN  19           H        GLN  19   7.784  -7.959  -7.959
  145    HA   GLN  19           HA       GLN  19   9.246  -9.259  -9.259
  146   1HB   GLN  19          2HB       GLN  19   7.788 -11.030 -11.030
  147   2HB   GLN  19          1HB       GLN  19   7.478 -11.347 -11.347
  148   1HG   GLN  19          2HG       GLN  19  10.296 -11.756 -11.756
  149   2HG   GLN  19          1HG       GLN  19   9.095 -12.919 -12.919
  150   1HE2  GLN  19          2HE2      GLN  19  10.796 -13.721 -13.721
  151   2HE2  GLN  19          1HE2      GLN  19  11.407 -13.071 -13.071
  152    H    SER  20           H        SER  20   8.698 -10.603 -10.603
  153    HA   SER  20           HA       SER  20  11.390 -11.200 -11.200
  154   1HB   SER  20          2HB       SER  20   8.917 -11.421 -11.421
  155   2HB   SER  20          1HB       SER  20  10.105 -10.698 -10.698
  156    HG   SER  20           HG       SER  20  10.132 -13.042 -13.042
  157    H    GLY  21           H        GLY  21   9.707  -8.208  -8.208
  158   1HA   GLY  21          1HA       GLY  21  10.825  -6.160  -6.160
  159   2HA   GLY  21          2HA       GLY  21  12.034  -6.833  -6.833
  160    H    LYS  22           H        LYS  22   9.577  -8.189  -8.189
  161    HA   LYS  22           HA       LYS  22   9.492  -6.656  -6.656
  162   1HB   LYS  22          2HB       LYS  22   7.593  -8.591  -8.591
  163   2HB   LYS  22          1HB       LYS  22   6.993  -7.632  -7.632
  164   1HG   LYS  22          2HG       LYS  22   9.715  -8.838  -8.838
  165   2HG   LYS  22          1HG       LYS  22   8.373  -9.965  -9.965
  166   1HD   LYS  22          2HD       LYS  22   7.341  -9.009  -9.009
  167   2HD   LYS  22          1HD       LYS  22   8.181  -7.482  -7.482
  168   1HE   LYS  22          2HE       LYS  22   9.707 -10.048 -10.048
  169   2HE   LYS  22          1HE       LYS  22   8.985  -9.110  -9.110
  170   1HZ   LYS  22          1HZ       LYS  22  11.359  -8.547  -8.547
  171   2HZ   LYS  22          2HZ       LYS  22  10.817  -7.834  -7.834
  172    H    THR  23           H        THR  23   7.898  -6.019  -6.019
  173    HA   THR  23           HA       THR  23   6.524  -4.384  -4.384
  174    HB   THR  23           HB       THR  23   8.823  -3.243  -3.243
  175    HG1  THR  23          1HG       THR  23   7.317  -2.451  -2.451
  176   1HG2  THR  23          3HG2      THR  23   6.263  -1.648  -1.648
  177   2HG2  THR  23          1HG2      THR  23   7.866  -0.873  -0.873
  178   3HG2  THR  23          2HG2      THR  23   7.284  -1.671  -1.671
  179    H    ALA  24           H        ALA  24   4.445  -4.772  -4.772
  180    HA   ALA  24           HA       ALA  24   3.663  -3.878  -3.878
  181   1HB   ALA  24          1HB       ALA  24   3.117  -6.239  -6.239
  182   2HB   ALA  24          2HB       ALA  24   1.593  -5.359  -5.359
  183   3HB   ALA  24          3HB       ALA  24   2.591  -5.847  -5.847
  184    H    ILE  25           H        ILE  25   1.135  -3.208  -3.208
  185    HA   ILE  25           HA       ILE  25   0.998  -1.224  -1.224
  186    HB   ILE  25           HB       ILE  25  -0.433  -1.014  -1.014
  187   1HG1  ILE  25          2HG1      ILE  25   1.724   0.630   0.630
  188   2HG1  ILE  25          3HG1      ILE  25   2.466  -0.725  -0.725
  189   1HG2  ILE  25          1HG2      ILE  25   0.096   0.724   0.724
  190   2HG2  ILE  25          2HG2      ILE  25   0.185   1.499   1.499
  191   3HG2  ILE  25          3HG2      ILE  25  -1.302   0.659   0.659
  192   1HD1  ILE  25          3HD1      ILE  25   0.635  -1.091  -1.091
  193   2HD1  ILE  25          1HD1      ILE  25   2.397  -0.888  -0.888
  194   3HD1  ILE  25          2HD1      ILE  25   1.732  -2.290  -2.290
  195    H    CYS  26           H        CYS  26  -1.190  -0.727  -0.727
  196    HA   CYS  26           HA       CYS  26  -3.138  -2.817  -2.817
  197   1HB   CYS  26          2HB       CYS  26  -2.269  -3.896  -3.896
  198   2HB   CYS  26          1HB       CYS  26  -1.683  -2.426  -2.426
  199    H    LYS  27           H        LYS  27  -4.700  -1.418  -1.418
  200    HA   LYS  27           HA       LYS  27  -5.051   1.196   1.196
  201   1HB   LYS  27          2HB       LYS  27  -7.377  -0.732  -0.732
  202   2HB   LYS  27          1HB       LYS  27  -7.310   0.929   0.929
  203   1HG   LYS  27          2HG       LYS  27  -5.138  -0.198  -0.198
  204   2HG   LYS  27          1HG       LYS  27  -6.273  -1.533  -1.533
  205   1HD   LYS  27          2HD       LYS  27  -7.599   1.006   1.006
  206   2HD   LYS  27          1HD       LYS  27  -6.290   0.640   0.640
  207   1HE   LYS  27          2HE       LYS  27  -7.919  -1.744  -1.744
  208   2HE   LYS  27          1HE       LYS  27  -8.882  -0.449  -0.449
  209   1HZ   LYS  27          1HZ       LYS  27  -7.982  -0.892  -0.892
  210   2HZ   LYS  27          2HZ       LYS  27  -6.468  -0.643  -0.643
  211    H    CYS  28           H        CYS  28  -6.168   2.561   2.561
  212    HA   CYS  28           HA       CYS  28  -6.254   1.447   1.447
  213   1HB   CYS  28          2HB       CYS  28  -6.468   4.275   4.275
  214   2HB   CYS  28          1HB       CYS  28  -6.646   3.851   3.851
  215    H    TYR  29           H        TYR  29  -8.168   0.097   0.097
  216    HA   TYR  29           HA       TYR  29 -10.649   1.587   1.587
  217   1HB   TYR  29          2HB       TYR  29 -11.508  -0.639  -0.639
  218   2HB   TYR  29          1HB       TYR  29  -9.932  -0.519  -0.519
  219    HD1  TYR  29           HD1      TYR  29  -7.951  -1.665  -1.665
  220    HD2  TYR  29           HD2      TYR  29 -11.962  -2.291  -2.291
  221    HE1  TYR  29           HE1      TYR  29  -7.226  -3.791  -3.791
  222    HE2  TYR  29           HE2      TYR  29 -11.223  -4.415  -4.415
  223    HH   TYR  29           HH       TYR  29  -8.772  -6.076  -6.076
  224    H    VAL  30           H        VAL  30  -9.482   2.114   2.114
  225    HA   VAL  30           HA       VAL  30 -11.535   1.202   1.202
  226    HB   VAL  30           HB       VAL  30  -9.564   0.322   0.322
  227   1HG1  VAL  30          1HG1      VAL  30 -11.717  -0.810  -0.810
  228   2HG1  VAL  30          2HG1      VAL  30 -10.347  -1.945  -1.945
  229   3HG1  VAL  30          3HG1      VAL  30 -10.987  -1.393  -1.393
  230   1HG2  VAL  30          3HG2      VAL  30  -8.143   0.563   0.563
  231   2HG2  VAL  30          1HG2      VAL  30  -7.764  -0.599  -0.599
  232   3HG2  VAL  30          2HG2      VAL  30  -8.699  -1.123  -1.123
  233    H    LYS  31           H        LYS  31  -8.050   2.217   2.217
  234    HA   LYS  31           HA       LYS  31  -9.046   4.607   4.607
  235   1HB   LYS  31          2HB       LYS  31  -7.150   2.602   2.602
  236   2HB   LYS  31          1HB       LYS  31  -6.324   4.139   4.139
  237   1HG   LYS  31          2HG       LYS  31  -7.140   4.277   4.277
  238   2HG   LYS  31          1HG       LYS  31  -8.393   5.123   5.123
  239   1HD   LYS  31          2HD       LYS  31  -9.712   2.973   2.973
  240   2HD   LYS  31          1HD       LYS  31  -8.479   2.186   2.186
  241   1HE   LYS  31          2HE       LYS  31  -9.938   4.690   4.690
  242   2HE   LYS  31          1HE       LYS  31 -10.542   3.076   3.076
  243   1HZ   LYS  31          1HZ       LYS  31  -7.756   3.390   3.390
  244   2HZ   LYS  31          2HZ       LYS  31  -8.724   4.369   4.369
  245    H    LYS  32           H        LYS  32  -9.055   6.244   6.244
  246    HA   LYS  32           HA       LYS  32  -7.603   6.337   6.337
  247   1HB   LYS  32          2HB       LYS  32  -9.581   7.763   7.763
  248   2HB   LYS  32          1HB       LYS  32  -8.413   8.776   8.776
  249   1HG   LYS  32          2HG       LYS  32  -7.160   8.823   8.823
  250   2HG   LYS  32          1HG       LYS  32  -8.680   8.256   8.256
  251   1HD   LYS  32          2HD       LYS  32  -9.173  10.493  10.493
  252   2HD   LYS  32          1HD       LYS  32  -9.608  10.305  10.305
  253   1HE   LYS  32          2HE       LYS  32  -7.563  11.237  11.237
  254   2HE   LYS  32          1HE       LYS  32  -6.732  10.921  10.921
  255   1HZ   LYS  32          1HZ       LYS  32  -8.865  12.595  12.595
  256   2HZ   LYS  32          2HZ       LYS  32  -8.195  13.230  13.230
  257    H    CYS  33           H        CYS  33  -5.699   7.554   7.554
  258    HA   CYS  33           HA       CYS  33  -3.633   7.283   7.283
  259   1HB   CYS  33          2HB       CYS  33  -3.276   6.619   6.619
  260   2HB   CYS  33          1HB       CYS  33  -3.553   8.265   8.265
  261    HA   PRO  34           HA       PRO  34  -3.903  11.472  11.472
  262   1HB   PRO  34          2HB       PRO  34  -1.654  11.612  11.612
  263   2HB   PRO  34          1HB       PRO  34  -3.178  10.970  10.970
  264   1HG   PRO  34          2HG       PRO  34  -0.726   9.511   9.511
  265   2HG   PRO  34          1HG       PRO  34  -2.078   8.952   8.952
  266   1HD   PRO  34          2HD       PRO  34  -1.540   8.302   8.302
  267   2HD   PRO  34          1HD       PRO  34  -2.951   7.838   7.838
  268    H    ARG  35           H        ARG  35  -0.959  10.244  10.244
  269    HA   ARG  35           HA       ARG  35  -0.853  12.151  12.151
  270   1HB   ARG  35          2HB       ARG  35   1.180  13.517  13.517
  271   2HB   ARG  35          1HB       ARG  35  -0.421  13.955  13.955
  272   1HG   ARG  35          2HG       ARG  35  -0.056  12.455  12.455
  273   2HG   ARG  35          1HG       ARG  35   1.587  12.186  12.186
  274   1HD   ARG  35          2HD       ARG  35   0.372  14.902  14.902
  275   2HD   ARG  35          1HD       ARG  35   1.495  13.998  13.998
  276    HE   ARG  35           HE       ARG  35   2.134  15.467  15.467
  277   1HH1  ARG  35          2HH2      ARG  35   3.259  13.166  13.166
  278   2HH1  ARG  35          1HH2      ARG  35   4.935  13.401  13.401
  279    HH2  ARG  35          1HH       ARG  35   5.550  14.940  14.940
  280    H    ASP  36           H        ASP  36   0.964  11.765  11.765
  281    HA   ASP  36           HA       ASP  36   1.987   9.323   9.323
  282   1HB   ASP  36          2HB       ASP  36   3.610  11.785  11.785
  283   2HB   ASP  36          1HB       ASP  36   3.725  10.190  10.190
  284    HD2  ASP  36          2HD       ASP  36   1.029  10.458  10.458
  285    H    GLY  37           H        GLY  37   3.777   8.197   8.197
  286   1HA   GLY  37          1HA       GLY  37   5.820   8.036   8.036
  287   2HA   GLY  37          2HA       GLY  37   5.694   9.703   9.703
  288    H    ALA  38           H        ALA  38   2.678   8.983   8.983
  289    HA   ALA  38           HA       ALA  38   3.025   8.724   8.724
  290   1HB   ALA  38          2HB       ALA  38   0.721   8.197   8.197
  291   2HB   ALA  38          3HB       ALA  38   0.549   7.982   7.982
  292   3HB   ALA  38          1HB       ALA  38   0.971   9.578   9.578
  293    H    LYS  39           H        LYS  39   3.790   7.067   7.067
  294    HA   LYS  39           HA       LYS  39   4.302   4.551   4.551
  295   1HB   LYS  39          2HB       LYS  39   5.530   5.615   5.615
  296   2HB   LYS  39          1HB       LYS  39   4.141   5.335   5.335
  297   1HG   LYS  39          2HG       LYS  39   4.405   2.819   2.819
  298   2HG   LYS  39          1HG       LYS  39   6.059   3.336   3.336
  299   1HD   LYS  39          2HD       LYS  39   6.252   4.009   4.009
  300   2HD   LYS  39          1HD       LYS  39   4.578   3.570   3.570
  301   1HE   LYS  39          2HE       LYS  39   5.107   1.373   1.373
  302   2HE   LYS  39          1HE       LYS  39   6.000   1.344   1.344
  303   1HZ   LYS  39          1HZ       LYS  39   7.478   2.785   2.785
  304   2HZ   LYS  39          2HZ       LYS  39   7.074   1.337   1.337
  305    H    CYS  40           H        CYS  40   3.317   2.487   2.487
  306    HA   CYS  40           HA       CYS  40   0.830   2.393   2.393
  307   1HB   CYS  40          2HB       CYS  40  -0.221   3.265   3.265
  308   2HB   CYS  40          1HB       CYS  40   0.877   2.492   2.492
  309    H    GLU  41           H        GLU  41  -0.003   0.067   0.067
  310    HA   GLU  41           HA       GLU  41   2.196  -1.736  -1.736
  311   1HB   GLU  41          2HB       GLU  41   0.532  -2.839  -2.839
  312   2HB   GLU  41          1HB       GLU  41   2.242  -2.457  -2.457
  313   1HG   GLU  41          2HG       GLU  41   0.001  -0.427  -0.427
  314   2HG   GLU  41          1HG       GLU  41   0.896  -1.216  -1.216
  315    HE2  GLU  41          2HE       GLU  41   2.578   1.888   1.888
  316    H    PHE  42           H        PHE  42   1.660  -3.200  -3.200
  317    HA   PHE  42           HA       PHE  42  -1.119  -3.493  -3.493
  318   1HB   PHE  42          2HB       PHE  42   0.378  -3.362  -3.362
  319   2HB   PHE  42          1HB       PHE  42   1.635  -4.258  -4.258
  320    HD1  PHE  42          2HD       PHE  42  -1.731  -4.693  -4.693
  321    HD2  PHE  42          1HD       PHE  42   1.949  -6.519  -6.519
  322    HE1  PHE  42          2HE       PHE  42  -2.413  -6.779  -6.779
  323    HE2  PHE  42          1HE       PHE  42   1.266  -8.605  -8.605
  324    HZ   PHE  42           HZ       PHE  42  -0.906  -8.710  -8.710
  325    H    ASP  43           H        ASP  43  -2.343  -4.863  -4.863
  326    HA   ASP  43           HA       ASP  43  -1.215  -6.956  -6.956
  327   1HB   ASP  43          2HB       ASP  43  -3.618  -5.635  -5.635
  328   2HB   ASP  43          1HB       ASP  43  -4.101  -7.120  -7.120
  329    HD1  ASP  43          2HD       ASP  43  -2.256  -8.172  -8.172
  330    H    SER  44           H        SER  44  -0.908  -9.145  -9.145
  331    HA   SER  44           HA       SER  44  -1.473  -9.767  -9.767
  332   1HB   SER  44          2HB       SER  44  -0.186 -11.964 -11.964
  333   2HB   SER  44          1HB       SER  44   0.520 -10.812 -10.812
  334    HG   SER  44           HG       SER  44   0.485 -10.731 -10.731
  335    H    TYR  45           H        TYR  45  -2.858 -10.157 -10.157
  336    HA   TYR  45           HA       TYR  45  -3.884 -12.764 -12.764
  337   1HB   TYR  45          2HB       TYR  45  -5.065 -12.022 -12.022
  338   2HB   TYR  45          1HB       TYR  45  -3.689 -10.937 -10.937
  339    HD1  TYR  45           HD1      TYR  45  -4.504  -9.030  -9.030
  340    HD2  TYR  45           HD2      TYR  45  -6.764 -10.764 -10.764
  341    HE1  TYR  45           HE1      TYR  45  -6.082  -7.037  -7.037
  342    HE2  TYR  45           HE2      TYR  45  -8.334  -8.765  -8.765
  343    HH   TYR  45           HH       TYR  45  -8.931  -6.968  -6.968
  344    H    LYS  46           H        LYS  46  -4.526 -10.003 -10.003
  345    HA   LYS  46           HA       LYS  46  -6.748 -11.318 -11.318
  346   1HB   LYS  46          2HB       LYS  46  -8.493 -10.159 -10.159
  347   2HB   LYS  46          1HB       LYS  46  -7.450  -9.729  -9.729
  348   1HG   LYS  46          2HG       LYS  46  -6.914  -7.603  -7.603
  349   2HG   LYS  46          1HG       LYS  46  -7.380  -8.080  -8.080
  350   1HD   LYS  46          2HD       LYS  46  -9.001  -6.535  -6.535
  351   2HD   LYS  46          1HD       LYS  46  -9.688  -7.866  -7.866
  352   1HE   LYS  46          2HE       LYS  46  -8.855  -8.516  -8.516
  353   2HE   LYS  46          1HE       LYS  46 -10.208  -7.412  -7.412
  354   1HZ   LYS  46          1HZ       LYS  46 -10.175 -10.207 -10.207
  355   2HZ   LYS  46          2HZ       LYS  46 -11.463  -9.214  -9.214
  356    H    GLY  47           H        GLY  47  -4.779  -8.321  -8.321
  357   1HA   GLY  47          1HA       GLY  47  -3.336  -7.705  -7.705
  358   2HA   GLY  47          2HA       GLY  47  -4.579  -8.209  -8.209
  359    H    LYS  48           H        LYS  48  -5.627  -6.565  -6.565
  360    HA   LYS  48           HA       LYS  48  -6.844  -4.510  -4.510
  361   1HB   LYS  48          2HB       LYS  48  -7.223  -5.614  -5.614
  362   2HB   LYS  48          1HB       LYS  48  -6.443  -4.109  -4.109
  363   1HG   LYS  48          2HG       LYS  48  -8.187  -3.134  -3.134
  364   2HG   LYS  48          1HG       LYS  48  -9.091  -4.552  -4.552
  365   1HD   LYS  48          2HD       LYS  48  -8.058  -3.297  -3.297
  366   2HD   LYS  48          1HD       LYS  48  -8.790  -2.046  -2.046
  367   1HE   LYS  48          2HE       LYS  48 -10.885  -3.392  -3.392
  368   2HE   LYS  48          1HE       LYS  48 -10.156  -4.668  -4.668
  369   1HZ   LYS  48          1HZ       LYS  48  -9.905  -2.200  -2.200
  370   2HZ   LYS  48          2HZ       LYS  48 -11.467  -2.423  -2.423
  371    H    CYS  49           H        CYS  49  -6.360  -2.160  -2.160
  372    HA   CYS  49           HA       CYS  49  -3.502  -1.714  -1.714
  373   1HB   CYS  49          2HB       CYS  49  -3.966  -0.882  -0.882
  374   2HB   CYS  49          1HB       CYS  49  -5.637  -0.522  -0.522
  375    H    TYR  50           H        TYR  50  -3.381  -1.546  -1.546
  376    HA   TYR  50           HA       TYR  50  -5.223   0.111   0.111
  377   1HB   TYR  50          2HB       TYR  50  -2.678  -1.503  -1.503
  378   2HB   TYR  50          1HB       TYR  50  -3.097  -0.338  -0.338
  379    HD1  TYR  50           HD2      TYR  50  -5.867  -1.893  -1.893
  380    HD2  TYR  50           HD1      TYR  50  -3.248  -2.267  -2.267
  381    HE1  TYR  50           HE2      TYR  50  -7.450  -3.580  -3.580
  382    HE2  TYR  50           HE1      TYR  50  -4.840  -3.953  -3.953
  383    HH   TYR  50           HH       TYR  50  -6.538  -5.522  -5.522
  384    H    CYS  51           H        CYS  51  -4.609   1.915   1.915
  385    HA   CYS  51           HA       CYS  51  -2.180   3.248   3.248
  386   1HB   CYS  51          2HB       CYS  51  -4.730   4.623   4.623
  387   2HB   CYS  51          1HB       CYS  51  -3.091   4.944   4.944

  Start of MODEL   31
    1    H    ALA   1           H        ALA   1   1.554 -11.779 -11.779
    2    HA   ALA   1           HA       ALA   1   4.127 -11.160 -11.160
    3   1HB   ALA   1          3HB       ALA   1   2.032 -12.994 -12.994
    4   2HB   ALA   1          1HB       ALA   1   2.078 -11.931 -11.931
    5   3HB   ALA   1          2HB       ALA   1   3.541 -12.812 -12.812
    6    H    THR   2           H        THR   2   2.781  -8.853  -8.853
    7    HA   THR   2           HA       THR   2   1.444  -7.492  -7.492
    8    HB   THR   2           HB       THR   2   2.701  -6.048  -6.048
    9    HG1  THR   2          1HG       THR   2   1.780  -7.511  -7.511
   10   1HG2  THR   2          3HG2      THR   2   0.881  -5.104  -5.104
   11   2HG2  THR   2          1HG2      THR   2  -0.225  -6.277  -6.277
   12   3HG2  THR   2          2HG2      THR   2   0.530  -5.003  -5.003
   13    H    TYR   3           H        TYR   3   2.168  -5.932  -5.932
   14    HA   TYR   3           HA       TYR   3   5.097  -5.818  -5.818
   15   1HB   TYR   3          2HB       TYR   3   2.752  -5.389  -5.389
   16   2HB   TYR   3          1HB       TYR   3   4.435  -5.225  -5.225
   17    HD1  TYR   3           HD2      TYR   3   2.142  -7.744  -7.744
   18    HD2  TYR   3           HD1      TYR   3   5.488  -7.044  -7.044
   19    HE1  TYR   3           HE2      TYR   3   2.237 -10.222 -10.222
   20    HE2  TYR   3           HE1      TYR   3   5.572  -9.524  -9.524
   21    HH   TYR   3           HH       TYR   3   3.453 -11.466 -11.466
   22    H    ASN   4           H        ASN   4   6.019  -3.936  -3.936
   23    HA   ASN   4           HA       ASN   4   4.331  -1.644  -1.644
   24   1HB   ASN   4          2HB       ASN   4   7.329  -1.530  -1.530
   25   2HB   ASN   4          1HB       ASN   4   6.072  -0.750  -0.750
   26   1HD2  ASN   4          2HD2      ASN   4   5.127  -4.103  -4.103
   27   2HD2  ASN   4          1HD2      ASN   4   4.378  -2.990  -2.990
   28    H    GLY   5           H        GLY   5   4.810   0.442   0.442
   29   1HA   GLY   5          1HA       GLY   5   6.874   0.776   0.776
   30   2HA   GLY   5          2HA       GLY   5   5.431   0.236   0.236
   31    H    LYS   6           H        LYS   6   4.592   2.041   2.041
   32    HA   LYS   6           HA       LYS   6   3.804   4.212   4.212
   33   1HB   LYS   6          2HB       LYS   6   5.444   4.617   4.617
   34   2HB   LYS   6          1HB       LYS   6   4.635   5.896   5.896
   35   1HG   LYS   6          2HG       LYS   6   5.981   5.475   5.475
   36   2HG   LYS   6          1HG       LYS   6   6.657   4.016   4.016
   37   1HD   LYS   6          2HD       LYS   6   7.529   5.579   5.579
   38   2HD   LYS   6          1HD       LYS   6   7.179   6.897   6.897
   39   1HE   LYS   6          2HE       LYS   6   9.236   6.532   6.532
   40   2HE   LYS   6          1HE       LYS   6   8.563   5.086   5.086
   41   1HZ   LYS   6          1HZ       LYS   6   9.364   4.746   4.746
   42   2HZ   LYS   6          2HZ       LYS   6  10.604   5.075   5.075
   43    H    CYS   7           H        CYS   7   2.152   5.650   5.650
   44    HA   CYS   7           HA       CYS   7   0.772   4.200   4.200
   45   1HB   CYS   7          2HB       CYS   7  -1.389   4.913   4.913
   46   2HB   CYS   7          1HB       CYS   7  -0.519   3.539   3.539
   47    H    TYR   8           H        TYR   8  -0.649   5.665   5.665
   48    HA   TYR   8           HA       TYR   8   0.274   8.452   8.452
   49   1HB   TYR   8          2HB       TYR   8  -0.722   6.714   6.714
   50   2HB   TYR   8          1HB       TYR   8  -0.194   8.376   8.376
   51    HD1  TYR   8           HD2      TYR   8   2.061   7.508   7.508
   52    HD2  TYR   8           HD1      TYR   8   1.015   6.357   6.357
   53    HE1  TYR   8           HE2      TYR   8   4.441   6.709   6.709
   54    HE2  TYR   8           HE1      TYR   8   3.399   5.563   5.563
   55    HH   TYR   8           HH       TYR   8   5.281   4.711   4.711
   56    H    LYS   9           H        LYS   9  -1.237  10.084  10.084
   57    HA   LYS   9           HA       LYS   9  -3.958   9.252   9.252
   58   1HB   LYS   9          2HB       LYS   9  -4.296  11.374  11.374
   59   2HB   LYS   9          1HB       LYS   9  -2.648  10.980  10.980
   60   1HG   LYS   9          2HG       LYS   9  -1.744  12.368  12.368
   61   2HG   LYS   9          1HG       LYS   9  -3.332  12.593  12.593
   62   1HD   LYS   9          2HD       LYS   9  -3.247  13.397  13.397
   63   2HD   LYS   9          1HD       LYS   9  -2.097  14.289  14.289
   64   1HE   LYS   9          2HE       LYS   9  -4.276  14.393  14.393
   65   2HE   LYS   9          1HE       LYS   9  -5.092  14.297  14.297
   66   1HZ   LYS   9          1HZ       LYS   9  -2.875  16.201  16.201
   67   2HZ   LYS   9          2HZ       LYS   9  -4.280  16.598  16.598
   68    H    LYS  10           H        LYS  10  -2.088  11.243  11.243
   69    HA   LYS  10           HA       LYS  10  -4.257  12.052  12.052
   70   1HB   LYS  10          2HB       LYS  10  -1.456  12.302  12.302
   71   2HB   LYS  10          1HB       LYS  10  -1.881  11.580  11.580
   72   1HG   LYS  10          2HG       LYS  10  -3.105  13.426  13.426
   73   2HG   LYS  10          1HG       LYS  10  -3.634  13.831  13.831
   74   1HD   LYS  10          2HD       LYS  10  -0.725  14.093  14.093
   75   2HD   LYS  10          1HD       LYS  10  -1.523  15.041  15.041
   76   1HE   LYS  10          2HE       LYS  10  -2.893  15.324  15.324
   77   2HE   LYS  10          1HE       LYS  10  -1.197  15.746  15.746
   78   1HZ   LYS  10          1HZ       LYS  10  -3.279  17.139  17.139
   79   2HZ   LYS  10          2HZ       LYS  10  -1.851  17.708  17.708
   80    H    ASP  11           H        ASP  11  -2.572   8.945   8.945
   81    HA   ASP  11           HA       ASP  11  -4.129   8.022   8.022
   82   1HB   ASP  11          2HB       ASP  11  -1.535   7.212   7.212
   83   2HB   ASP  11          1HB       ASP  11  -2.512   5.907   5.907
   84    HD1  ASP  11          2HD       ASP  11  -2.284   7.495   7.495
   85    H    ASN  12           H        ASN  12  -3.987   8.140   8.140
   86    HA   ASN  12           HA       ASN  12  -4.880   7.021   7.021
   87   1HB   ASN  12          2HB       ASN  12  -6.985   7.800   7.800
   88   2HB   ASN  12          1HB       ASN  12  -6.963   6.586   6.586
   89   1HD2  ASN  12          2HD2      ASN  12  -7.394   5.037   5.037
   90   2HD2  ASN  12          1HD2      ASN  12  -6.107   6.117   6.117
   91    H    ILE  13           H        ILE  13  -2.880   5.455   5.455
   92    HA   ILE  13           HA       ILE  13  -3.995   2.775   2.775
   93    HB   ILE  13           HB       ILE  13  -2.280   2.074   2.074
   94   1HG1  ILE  13          2HG1      ILE  13  -1.893   4.040   4.040
   95   2HG1  ILE  13          3HG1      ILE  13  -2.094   5.060   5.060
   96   1HG2  ILE  13          2HG2      ILE  13  -4.922   2.802   2.802
   97   2HG2  ILE  13          3HG2      ILE  13  -4.150   3.730   3.730
   98   3HG2  ILE  13          1HG2      ILE  13  -3.962   1.961   1.961
   99   1HD1  ILE  13          2HD1      ILE  13  -0.293   2.701   2.701
  100   2HD1  ILE  13          3HD1      ILE  13   0.296   3.976   3.976
  101   3HD1  ILE  13          1HD1      ILE  13  -0.116   4.370   4.370
  102    H    CYS  14           H        CYS  14  -2.298   1.150   1.150
  103    HA   CYS  14           HA       CYS  14  -0.250   2.501   2.501
  104   1HB   CYS  14          2HB       CYS  14  -1.538   1.707   1.707
  105   2HB   CYS  14          1HB       CYS  14  -2.228   0.419   0.419
  106    H    LYS  15           H        LYS  15   1.854   1.758   1.758
  107    HA   LYS  15           HA       LYS  15   2.131  -0.716  -0.716
  108   1HB   LYS  15          2HB       LYS  15   4.169   0.546   0.546
  109   2HB   LYS  15          1HB       LYS  15   2.560   0.797   0.797
  110   1HG   LYS  15          2HG       LYS  15   3.366   3.002   3.002
  111   2HG   LYS  15          1HG       LYS  15   2.396   2.785   2.785
  112   1HD   LYS  15          2HD       LYS  15   4.483   3.769   3.769
  113   2HD   LYS  15          1HD       LYS  15   4.509   2.098   2.098
  114   1HE   LYS  15          2HE       LYS  15   5.584   2.144   2.144
  115   2HE   LYS  15          1HE       LYS  15   6.346   3.455   3.455
  116   1HZ   LYS  15          1HZ       LYS  15   7.009   0.803   0.803
  117   2HZ   LYS  15          2HZ       LYS  15   7.506   1.976   1.976
  118    H    TYR  16           H        TYR  16   4.617  -1.393  -1.393
  119    HA   TYR  16           HA       TYR  16   6.204  -0.628  -0.628
  120   1HB   TYR  16          2HB       TYR  16   5.637  -2.676  -2.676
  121   2HB   TYR  16          1HB       TYR  16   4.418  -1.417  -1.417
  122    HD1  TYR  16           HD2      TYR  16   5.283  -4.743  -4.743
  123    HD2  TYR  16           HD1      TYR  16   2.201  -1.853  -1.853
  124    HE1  TYR  16           HE2      TYR  16   3.527  -6.438  -6.438
  125    HE2  TYR  16           HE1      TYR  16   0.456  -3.557  -3.557
  126    HH   TYR  16           HH       TYR  16   0.077  -5.573  -5.573
  127    H    LYS  17           H        LYS  17   7.426  -2.985  -2.985
  128    HA   LYS  17           HA       LYS  17   8.315  -4.019  -4.019
  129   1HB   LYS  17          2HB       LYS  17   9.664  -3.206  -3.206
  130   2HB   LYS  17          1HB       LYS  17  10.146  -4.810  -4.810
  131   1HG   LYS  17          2HG       LYS  17  11.029  -4.053  -4.053
  132   2HG   LYS  17          1HG       LYS  17   9.970  -2.659  -2.659
  133   1HD   LYS  17          2HD       LYS  17  12.296  -2.993  -2.993
  134   2HD   LYS  17          1HD       LYS  17  12.346  -2.031  -2.031
  135   1HE   LYS  17          2HE       LYS  17  10.004  -1.250  -1.250
  136   2HE   LYS  17          1HE       LYS  17  11.379  -1.258  -1.258
  137   1HZ   LYS  17          1HZ       LYS  17  12.571   0.100   0.100
  138   2HZ   LYS  17          2HZ       LYS  17  11.181   0.227   0.227
  139    H    ALA  18           H        ALA  18   7.698  -6.024  -6.024
  140    HA   ALA  18           HA       ALA  18   6.207  -7.629  -7.629
  141   1HB   ALA  18          1HB       ALA  18   6.600  -7.386  -7.386
  142   2HB   ALA  18          2HB       ALA  18   7.134  -9.029  -9.029
  143   3HB   ALA  18          3HB       ALA  18   5.490  -8.491  -8.491
  144    H    GLN  19           H        GLN  19   6.835 -10.116 -10.116
  145    HA   GLN  19           HA       GLN  19   9.035 -10.278 -10.278
  146   1HB   GLN  19          2HB       GLN  19   6.957 -11.955 -11.955
  147   2HB   GLN  19          1HB       GLN  19   8.337 -12.788 -12.788
  148   1HG   GLN  19          2HG       GLN  19   9.492 -12.508 -12.508
  149   2HG   GLN  19          1HG       GLN  19   7.944 -11.969 -11.969
  150   1HE2  GLN  19          2HE2      GLN  19   6.276 -15.122 -15.122
  151   2HE2  GLN  19          1HE2      GLN  19   6.054 -13.412 -13.412
  152    H    SER  20           H        SER  20   8.694 -10.829 -10.829
  153    HA   SER  20           HA       SER  20  11.084 -12.061 -12.061
  154   1HB   SER  20          2HB       SER  20  10.780 -10.476 -10.476
  155   2HB   SER  20          1HB       SER  20   9.979 -12.013 -12.013
  156    HG   SER  20           HG       SER  20   8.083 -11.022 -11.022
  157    H    GLY  21           H        GLY  21  10.294  -8.541  -8.541
  158   1HA   GLY  21          1HA       GLY  21  12.082  -7.278  -7.278
  159   2HA   GLY  21          2HA       GLY  21  13.199  -7.977  -7.977
  160    H    LYS  22           H        LYS  22  10.606  -7.743  -7.743
  161    HA   LYS  22           HA       LYS  22  11.537  -5.341  -5.341
  162   1HB   LYS  22          2HB       LYS  22  10.756  -7.347  -7.347
  163   2HB   LYS  22          1HB       LYS  22   9.128  -7.058  -7.058
  164   1HG   LYS  22          2HG       LYS  22   9.724  -4.568  -4.568
  165   2HG   LYS  22          1HG       LYS  22  10.712  -5.554  -5.554
  166   1HD   LYS  22          2HD       LYS  22   8.692  -6.965  -6.965
  167   2HD   LYS  22          1HD       LYS  22   7.717  -5.919  -5.919
  168   1HE   LYS  22          2HE       LYS  22   7.733  -4.176  -4.176
  169   2HE   LYS  22          1HE       LYS  22   9.356  -4.530  -4.530
  170   1HZ   LYS  22          1HZ       LYS  22   7.253  -5.107  -5.107
  171   2HZ   LYS  22          2HZ       LYS  22   8.574  -6.058  -6.058
  172    H    THR  23           H        THR  23   8.141  -5.481  -5.481
  173    HA   THR  23           HA       THR  23   7.482  -3.934  -3.934
  174    HB   THR  23           HB       THR  23   7.897  -2.589  -2.589
  175    HG1  THR  23          1HG       THR  23   8.622  -1.996  -1.996
  176   1HG2  THR  23          3HG2      THR  23   5.672  -1.941  -1.941
  177   2HG2  THR  23          1HG2      THR  23   6.695  -1.320  -1.320
  178   3HG2  THR  23          2HG2      THR  23   6.820  -0.616  -0.616
  179    H    ALA  24           H        ALA  24   5.215  -3.558  -3.558
  180    HA   ALA  24           HA       ALA  24   3.566  -4.677  -4.677
  181   1HB   ALA  24          1HB       ALA  24   4.063  -5.900  -5.900
  182   2HB   ALA  24          2HB       ALA  24   2.380  -5.881  -5.881
  183   3HB   ALA  24          3HB       ALA  24   3.647  -6.671  -6.671
  184    H    ILE  25           H        ILE  25   1.714  -3.493  -3.493
  185    HA   ILE  25           HA       ILE  25   1.199  -1.501  -1.501
  186    HB   ILE  25           HB       ILE  25   0.268  -1.427  -1.427
  187   1HG1  ILE  25          2HG1      ILE  25   2.906  -0.603  -0.603
  188   2HG1  ILE  25          3HG1      ILE  25   2.582  -1.478  -1.478
  189   1HG2  ILE  25          2HG2      ILE  25  -0.956  -0.005  -0.005
  190   2HG2  ILE  25          3HG2      ILE  25   0.573   0.737   0.737
  191   3HG2  ILE  25          1HG2      ILE  25   0.005   0.963   0.963
  192   1HD1  ILE  25          3HD1      ILE  25   1.550   0.582   0.582
  193   2HD1  ILE  25          1HD1      ILE  25   1.939   1.463   1.463
  194   3HD1  ILE  25          2HD1      ILE  25   3.249   0.835   0.835
  195    H    CYS  26           H        CYS  26  -0.964  -1.151  -1.151
  196    HA   CYS  26           HA       CYS  26  -2.910  -3.119  -3.119
  197   1HB   CYS  26          2HB       CYS  26  -2.234  -4.374  -4.374
  198   2HB   CYS  26          1HB       CYS  26  -1.693  -2.991  -2.991
  199    H    LYS  27           H        LYS  27  -4.521  -1.753  -1.753
  200    HA   LYS  27           HA       LYS  27  -4.849   0.852   0.852
  201   1HB   LYS  27          2HB       LYS  27  -7.202  -1.047  -1.047
  202   2HB   LYS  27          1HB       LYS  27  -7.127   0.608   0.608
  203   1HG   LYS  27          2HG       LYS  27  -6.539  -0.215  -0.215
  204   2HG   LYS  27          1HG       LYS  27  -4.987  -0.636  -0.636
  205   1HD   LYS  27          2HD       LYS  27  -6.053  -2.603  -2.603
  206   2HD   LYS  27          1HD       LYS  27  -5.820  -2.872  -2.872
  207   1HE   LYS  27          2HE       LYS  27  -8.114  -2.696  -2.696
  208   2HE   LYS  27          1HE       LYS  27  -8.444  -1.679  -1.679
  209   1HZ   LYS  27          1HZ       LYS  27  -7.826  -3.772  -3.772
  210   2HZ   LYS  27          2HZ       LYS  27  -8.040  -4.603  -4.603
  211    H    CYS  28           H        CYS  28  -5.870   2.244   2.244
  212    HA   CYS  28           HA       CYS  28  -6.058   1.060   1.060
  213   1HB   CYS  28          2HB       CYS  28  -5.561   3.827   3.827
  214   2HB   CYS  28          1HB       CYS  28  -6.223   3.621   3.621
  215    H    TYR  29           H        TYR  29  -8.056   0.752   0.752
  216    HA   TYR  29           HA       TYR  29 -10.388   1.514   1.514
  217   1HB   TYR  29          2HB       TYR  29 -11.438  -0.004  -0.004
  218   2HB   TYR  29          1HB       TYR  29  -9.842  -0.682  -0.682
  219    HD1  TYR  29           HD1      TYR  29  -8.590   1.729   1.729
  220    HD2  TYR  29           HD2      TYR  29 -11.585  -1.258  -1.258
  221    HE1  TYR  29           HE1      TYR  29  -8.159   1.822   1.822
  222    HE2  TYR  29           HE2      TYR  29 -11.143  -1.156  -1.156
  223    HH   TYR  29           HH       TYR  29  -9.913   1.145   1.145
  224    H    VAL  30           H        VAL  30 -11.911   1.620   1.620
  225    HA   VAL  30           HA       VAL  30 -12.601   4.149   4.149
  226    HB   VAL  30           HB       VAL  30 -12.029   2.279   2.279
  227   1HG1  VAL  30          1HG1      VAL  30 -13.472   4.937   4.937
  228   2HG1  VAL  30          2HG1      VAL  30 -13.788   3.705   3.705
  229   3HG1  VAL  30          3HG1      VAL  30 -12.160   4.406   4.406
  230   1HG2  VAL  30          1HG2      VAL  30 -14.188   2.550   2.550
  231   2HG2  VAL  30          2HG2      VAL  30 -13.715   1.158   1.158
  232   3HG2  VAL  30          3HG2      VAL  30 -14.752   2.434   2.434
  233    H    LYS  31           H        LYS  31 -10.305   3.218   3.218
  234    HA   LYS  31           HA       LYS  31  -9.338   5.704   5.704
  235   1HB   LYS  31          2HB       LYS  31  -8.861   3.178   3.178
  236   2HB   LYS  31          1HB       LYS  31  -7.315   3.571   3.571
  237   1HG   LYS  31          2HG       LYS  31  -6.985   4.552   4.552
  238   2HG   LYS  31          1HG       LYS  31  -7.710   5.918   5.918
  239   1HD   LYS  31          2HD       LYS  31  -8.791   5.561   5.561
  240   2HD   LYS  31          1HD       LYS  31  -9.943   5.315   5.315
  241   1HE   LYS  31          2HE       LYS  31  -8.631   2.790   2.790
  242   2HE   LYS  31          1HE       LYS  31  -9.157   3.456   3.456
  243   1HZ   LYS  31          1HZ       LYS  31 -10.834   2.840   2.840
  244   2HZ   LYS  31          2HZ       LYS  31 -11.016   2.303   2.303
  245    H    LYS  32           H        LYS  32  -8.979   7.018   7.018
  246    HA   LYS  32           HA       LYS  32  -7.360   6.099   6.099
  247   1HB   LYS  32          2HB       LYS  32  -8.983   7.618   7.618
  248   2HB   LYS  32          1HB       LYS  32  -8.753   8.652   8.652
  249   1HG   LYS  32          2HG       LYS  32  -6.482   9.296   9.296
  250   2HG   LYS  32          1HG       LYS  32  -6.771   8.307   8.307
  251   1HD   LYS  32          2HD       LYS  32  -7.279  10.781  10.781
  252   2HD   LYS  32          1HD       LYS  32  -8.598   9.707   9.707
  253   1HE   LYS  32          2HE       LYS  32  -9.866  10.284  10.284
  254   2HE   LYS  32          1HE       LYS  32  -8.459  10.756  10.756
  255   1HZ   LYS  32          1HZ       LYS  32  -9.463  12.770  12.770
  256   2HZ   LYS  32          2HZ       LYS  32  -8.251  12.638  12.638
  257    H    CYS  33           H        CYS  33  -5.341   7.314   7.314
  258    HA   CYS  33           HA       CYS  33  -3.521   7.234   7.234
  259   1HB   CYS  33          2HB       CYS  33  -2.642   6.446   6.446
  260   2HB   CYS  33          1HB       CYS  33  -3.313   7.758   7.758
  261    HA   PRO  34           HA       PRO  34  -3.777  11.473  11.473
  262   1HB   PRO  34          2HB       PRO  34  -1.503  11.753  11.753
  263   2HB   PRO  34          1HB       PRO  34  -2.994  11.091  11.091
  264   1HG   PRO  34          2HG       PRO  34  -0.512   9.675   9.675
  265   2HG   PRO  34          1HG       PRO  34  -1.826   9.118   9.118
  266   1HD   PRO  34          2HD       PRO  34  -1.322   8.363   8.363
  267   2HD   PRO  34          1HD       PRO  34  -2.699   7.897   7.897
  268    H    ARG  35           H        ARG  35  -0.768  10.303  10.303
  269    HA   ARG  35           HA       ARG  35  -0.800  12.214  12.214
  270   1HB   ARG  35          2HB       ARG  35   1.197  13.606  13.606
  271   2HB   ARG  35          1HB       ARG  35  -0.248  13.895  13.895
  272   1HG   ARG  35          2HG       ARG  35   0.813  11.907  11.907
  273   2HG   ARG  35          1HG       ARG  35   2.299  12.501  12.501
  274   1HD   ARG  35          2HD       ARG  35   1.010  14.867  14.867
  275   2HD   ARG  35          1HD       ARG  35   0.545  13.775  13.775
  276    HE   ARG  35           HE       ARG  35   2.799  13.637  13.637
  277   1HH1  ARG  35          2HH2      ARG  35   2.594  15.345  15.345
  278   2HH1  ARG  35          1HH2      ARG  35   4.232  15.903  15.903
  279    HH2  ARG  35          1HH       ARG  35   5.606  15.320  15.320
  280    H    ASP  36           H        ASP  36   0.970  11.858  11.858
  281    HA   ASP  36           HA       ASP  36   1.872   9.368   9.368
  282   1HB   ASP  36          2HB       ASP  36   2.323  10.622  10.622
  283   2HB   ASP  36          1HB       ASP  36   2.813  12.031  12.031
  284    HD1  ASP  36          2HD       ASP  36   5.919  11.719  11.719
  285    H    GLY  37           H        GLY  37   3.454   8.098   8.098
  286   1HA   GLY  37          1HA       GLY  37   5.603   7.811   7.811
  287   2HA   GLY  37          2HA       GLY  37   5.590   9.468   9.468
  288    H    ALA  38           H        ALA  38   2.575   8.928   8.928
  289    HA   ALA  38           HA       ALA  38   2.952   8.633   8.633
  290   1HB   ALA  38          1HB       ALA  38   0.581   7.893   7.893
  291   2HB   ALA  38          2HB       ALA  38   0.512   8.018   8.018
  292   3HB   ALA  38          3HB       ALA  38   0.885   9.457   9.457
  293    H    LYS  39           H        LYS  39   3.720   6.999   6.999
  294    HA   LYS  39           HA       LYS  39   4.243   4.469   4.469
  295   1HB   LYS  39          2HB       LYS  39   5.549   5.520   5.520
  296   2HB   LYS  39          1HB       LYS  39   4.181   5.364   5.364
  297   1HG   LYS  39          2HG       LYS  39   4.278   2.798   2.798
  298   2HG   LYS  39          1HG       LYS  39   5.926   3.188   3.188
  299   1HD   LYS  39          2HD       LYS  39   5.011   4.127   4.127
  300   2HD   LYS  39          1HD       LYS  39   5.231   2.400   2.400
  301   1HE   LYS  39          2HE       LYS  39   7.548   3.109   3.109
  302   2HE   LYS  39          1HE       LYS  39   7.289   4.610   4.610
  303   1HZ   LYS  39          1HZ       LYS  39   6.897   3.088   3.088
  304   2HZ   LYS  39          2HZ       LYS  39   7.592   1.903   1.903
  305    H    CYS  40           H        CYS  40   3.275   2.412   2.412
  306    HA   CYS  40           HA       CYS  40   0.858   2.290   2.290
  307   1HB   CYS  40          2HB       CYS  40  -0.550   1.539   1.539
  308   2HB   CYS  40          1HB       CYS  40  -0.214   3.257   3.257
  309    H    GLU  41           H        GLU  41  -0.063  -0.065  -0.065
  310    HA   GLU  41           HA       GLU  41   2.076  -1.853  -1.853
  311   1HB   GLU  41          2HB       GLU  41   0.896  -3.109  -3.109
  312   2HB   GLU  41          1HB       GLU  41   2.492  -2.389  -2.389
  313   1HG   GLU  41          2HG       GLU  41  -0.030  -0.793  -0.793
  314   2HG   GLU  41          1HG       GLU  41   0.977  -1.529  -1.529
  315    HE1  GLU  41          2HE       GLU  41   3.445  -0.253  -0.253
  316    H    PHE  42           H        PHE  42   1.333  -3.426  -3.426
  317    HA   PHE  42           HA       PHE  42  -1.532  -3.639  -3.639
  318   1HB   PHE  42          2HB       PHE  42  -0.295  -3.518  -3.518
  319   2HB   PHE  42          1HB       PHE  42   1.034  -4.465  -4.465
  320    HD1  PHE  42          2HD       PHE  42  -2.424  -4.681  -4.681
  321    HD2  PHE  42          1HD       PHE  42   1.098  -6.818  -6.818
  322    HE1  PHE  42          2HE       PHE  42  -3.344  -6.730  -6.730
  323    HE2  PHE  42          1HE       PHE  42   0.179  -8.867  -8.867
  324    HZ   PHE  42           HZ       PHE  42  -2.031  -8.799  -8.799
  325    H    ASP  43           H        ASP  43  -2.695  -5.114  -5.114
  326    HA   ASP  43           HA       ASP  43  -1.379  -7.165  -7.165
  327   1HB   ASP  43          2HB       ASP  43  -4.314  -6.557  -6.557
  328   2HB   ASP  43          1HB       ASP  43  -3.816  -7.912  -7.912
  329    HD2  ASP  43          2HD       ASP  43  -5.113  -6.481  -6.481
  330    H    SER  44           H        SER  44  -0.754  -9.129  -9.129
  331    HA   SER  44           HA       SER  44  -1.722  -9.812  -9.812
  332   1HB   SER  44          2HB       SER  44   0.585 -10.353 -10.353
  333   2HB   SER  44          1HB       SER  44  -0.210 -11.910 -11.910
  334    HG   SER  44           HG       SER  44   0.447 -12.041 -12.041
  335    H    TYR  45           H        TYR  45  -3.166 -10.003 -10.003
  336    HA   TYR  45           HA       TYR  45  -4.001 -12.729 -12.729
  337   1HB   TYR  45          2HB       TYR  45  -5.412 -10.299 -10.299
  338   2HB   TYR  45          1HB       TYR  45  -5.271 -11.902 -11.902
  339    HD1  TYR  45           HD1      TYR  45  -2.396 -12.460 -12.460
  340    HD2  TYR  45           HD2      TYR  45  -4.427  -8.811  -8.811
  341    HE1  TYR  45           HE1      TYR  45  -0.396 -11.687 -11.687
  342    HE2  TYR  45           HE2      TYR  45  -2.420  -8.050  -8.050
  343    HH   TYR  45           HH       TYR  45   0.097  -8.577  -8.577
  344    H    LYS  46           H        LYS  46  -5.474  -9.586  -9.586
  345    HA   LYS  46           HA       LYS  46  -7.470 -11.185 -11.185
  346   1HB   LYS  46          2HB       LYS  46  -8.132  -8.444  -8.444
  347   2HB   LYS  46          1HB       LYS  46  -9.197  -9.781  -9.781
  348   1HG   LYS  46          2HG       LYS  46  -7.836 -10.970 -10.970
  349   2HG   LYS  46          1HG       LYS  46  -7.565  -9.308  -9.308
  350   1HD   LYS  46          2HD       LYS  46  -9.580  -9.953  -9.953
  351   2HD   LYS  46          1HD       LYS  46 -10.106  -8.950  -8.950
  352   1HE   LYS  46          2HE       LYS  46 -11.347 -10.655 -10.655
  353   2HE   LYS  46          1HE       LYS  46  -9.920 -11.665 -11.665
  354   1HZ   LYS  46          1HZ       LYS  46 -10.599 -12.823 -12.823
  355   2HZ   LYS  46          2HZ       LYS  46 -10.745 -11.491 -11.491
  356    H    GLY  47           H        GLY  47  -5.509  -8.168  -8.168
  357   1HA   GLY  47          1HA       GLY  47  -4.252  -7.625  -7.625
  358   2HA   GLY  47          2HA       GLY  47  -5.672  -8.025  -8.025
  359    H    LYS  48           H        LYS  48  -6.271  -6.444  -6.444
  360    HA   LYS  48           HA       LYS  48  -7.434  -4.219  -4.219
  361   1HB   LYS  48          2HB       LYS  48  -7.064  -5.053  -5.053
  362   2HB   LYS  48          1HB       LYS  48  -7.639  -3.445  -3.445
  363   1HG   LYS  48          2HG       LYS  48  -9.707  -4.214  -4.214
  364   2HG   LYS  48          1HG       LYS  48  -9.045  -5.452  -5.452
  365   1HD   LYS  48          2HD       LYS  48 -10.152  -6.699  -6.699
  366   2HD   LYS  48          1HD       LYS  48  -8.472  -6.758  -6.758
  367   1HE   LYS  48          2HE       LYS  48  -9.115  -5.910  -5.910
  368   2HE   LYS  48          1HE       LYS  48  -9.433  -4.391  -4.391
  369   1HZ   LYS  48          1HZ       LYS  48 -11.405  -6.583  -6.583
  370   2HZ   LYS  48          2HZ       LYS  48 -11.418  -5.153  -5.153
  371    H    CYS  49           H        CYS  49  -6.867  -1.903  -1.903
  372    HA   CYS  49           HA       CYS  49  -3.947  -1.681  -1.681
  373   1HB   CYS  49          2HB       CYS  49  -4.018   0.026   0.026
  374   2HB   CYS  49          1HB       CYS  49  -5.437  -0.858  -0.858
  375    H    TYR  50           H        TYR  50  -3.122  -0.846  -0.846
  376    HA   TYR  50           HA       TYR  50  -4.992   0.616   0.616
  377   1HB   TYR  50          2HB       TYR  50  -2.501  -1.138  -1.138
  378   2HB   TYR  50          1HB       TYR  50  -2.949  -0.050  -0.050
  379    HD1  TYR  50           HD2      TYR  50  -5.822  -1.253  -1.253
  380    HD2  TYR  50           HD1      TYR  50  -3.002  -2.300  -2.300
  381    HE1  TYR  50           HE2      TYR  50  -7.435  -2.996  -2.996
  382    HE2  TYR  50           HE1      TYR  50  -4.625  -4.040  -4.040
  383    HH   TYR  50           HH       TYR  50  -6.715  -4.747  -4.747
  384    H    CYS  51           H        CYS  51  -4.592   2.594   2.594
  385    HA   CYS  51           HA       CYS  51  -1.927   3.634   3.634
  386   1HB   CYS  51          2HB       CYS  51  -4.232   5.393   5.393
  387   2HB   CYS  51          1HB       CYS  51  -2.670   5.247   5.247

  Start of MODEL   32
    1    H    ALA   1           H        ALA   1   1.588 -11.405 -11.405
    2    HA   ALA   1           HA       ALA   1   4.245 -11.163 -11.163
    3   1HB   ALA   1          3HB       ALA   1   2.035 -12.908 -12.908
    4   2HB   ALA   1          1HB       ALA   1   2.142 -11.913 -11.913
    5   3HB   ALA   1          2HB       ALA   1   3.550 -12.858 -12.858
    6    H    THR   2           H        THR   2   2.722  -8.830  -8.830
    7    HA   THR   2           HA       THR   2   1.556  -7.494  -7.494
    8    HB   THR   2           HB       THR   2   2.608  -6.089  -6.089
    9    HG1  THR   2          1HG       THR   2   0.290  -7.875  -7.875
   10   1HG2  THR   2          3HG2      THR   2   0.966  -5.160  -5.160
   11   2HG2  THR   2          1HG2      THR   2  -0.245  -6.133  -6.133
   12   3HG2  THR   2          2HG2      THR   2   0.620  -4.827  -4.827
   13    H    TYR   3           H        TYR   3   2.365  -5.907  -5.907
   14    HA   TYR   3           HA       TYR   3   5.300  -5.728  -5.728
   15   1HB   TYR   3          2HB       TYR   3   3.174  -5.340  -5.340
   16   2HB   TYR   3          1HB       TYR   3   4.903  -5.271  -5.271
   17    HD1  TYR   3           HD2      TYR   3   2.111  -7.537  -7.537
   18    HD2  TYR   3           HD1      TYR   3   6.185  -7.256  -7.256
   19    HE1  TYR   3           HE2      TYR   3   2.146 -10.036 -10.036
   20    HE2  TYR   3           HE1      TYR   3   6.206  -9.756  -9.756
   21    HH   TYR   3           HH       TYR   3   3.565 -11.541 -11.541
   22    H    ASN   4           H        ASN   4   6.097  -3.805  -3.805
   23    HA   ASN   4           HA       ASN   4   4.346  -1.585  -1.585
   24   1HB   ASN   4          2HB       ASN   4   7.346  -1.316  -1.316
   25   2HB   ASN   4          1HB       ASN   4   6.079  -0.581  -0.581
   26   1HD2  ASN   4          2HD2      ASN   4   5.342  -3.980  -3.980
   27   2HD2  ASN   4          1HD2      ASN   4   4.514  -2.939  -2.939
   28    H    GLY   5           H        GLY   5   4.464   0.380   0.380
   29   1HA   GLY   5          1HA       GLY   5   6.528   0.810   0.810
   30   2HA   GLY   5          2HA       GLY   5   5.052   0.221   0.221
   31    H    LYS   6           H        LYS   6   4.816   2.301   2.301
   32    HA   LYS   6           HA       LYS   6   3.706   4.324   4.324
   33   1HB   LYS   6          2HB       LYS   6   5.347   4.983   4.983
   34   2HB   LYS   6          1HB       LYS   6   4.742   6.089   6.089
   35   1HG   LYS   6          2HG       LYS   6   6.208   5.127   5.127
   36   2HG   LYS   6          1HG       LYS   6   6.688   3.826   3.826
   37   1HD   LYS   6          2HD       LYS   6   7.859   5.362   5.362
   38   2HD   LYS   6          1HD       LYS   6   7.184   6.760   6.760
   39   1HE   LYS   6          2HE       LYS   6   8.830   6.740   6.740
   40   2HE   LYS   6          1HE       LYS   6   8.540   5.052   5.052
   41   1HZ   LYS   6          1HZ       LYS   6  10.539   6.193   6.193
   42   2HZ   LYS   6          2HZ       LYS   6  10.550   4.758   4.758
   43    H    CYS   7           H        CYS   7   2.249   5.903   5.903
   44    HA   CYS   7           HA       CYS   7   0.960   4.460   4.460
   45   1HB   CYS   7          2HB       CYS   7  -1.216   5.504   5.504
   46   2HB   CYS   7          1HB       CYS   7  -0.612   3.936   3.936
   47    H    TYR   8           H        TYR   8  -0.706   6.138   6.138
   48    HA   TYR   8           HA       TYR   8   0.410   8.842   8.842
   49   1HB   TYR   8          2HB       TYR   8  -0.163   7.095   7.095
   50   2HB   TYR   8          1HB       TYR   8   0.357   8.767   8.767
   51    HD1  TYR   8           HD2      TYR   8   1.467   5.502   5.502
   52    HD2  TYR   8           HD1      TYR   8   2.615   9.201   9.201
   53    HE1  TYR   8           HE2      TYR   8   3.897   4.754   4.754
   54    HE2  TYR   8           HE1      TYR   8   5.041   8.440   8.440
   55    HH   TYR   8           HH       TYR   8   6.444   6.907   6.907
   56    H    LYS   9           H        LYS   9  -1.115  10.458  10.458
   57    HA   LYS   9           HA       LYS   9  -3.793   9.802   9.802
   58   1HB   LYS   9          2HB       LYS   9  -2.155  12.205  12.205
   59   2HB   LYS   9          1HB       LYS   9  -3.732  12.421  12.421
   60   1HG   LYS   9          2HG       LYS   9  -4.795  11.522  11.522
   61   2HG   LYS   9          1HG       LYS   9  -3.204  11.411  11.411
   62   1HD   LYS   9          2HD       LYS   9  -2.990  13.712  13.712
   63   2HD   LYS   9          1HD       LYS   9  -3.916  14.063  14.063
   64   1HE   LYS   9          2HE       LYS   9  -5.615  12.745  12.745
   65   2HE   LYS   9          1HE       LYS   9  -4.833  14.142  14.142
   66   1HZ   LYS   9          1HZ       LYS   9  -7.027  14.440  14.440
   67   2HZ   LYS   9          2HZ       LYS   9  -5.856  15.561  15.561
   68    H    LYS  10           H        LYS  10  -2.432  11.570  11.570
   69    HA   LYS  10           HA       LYS  10  -4.512  11.354  11.354
   70   1HB   LYS  10          2HB       LYS  10  -2.069  12.308  12.308
   71   2HB   LYS  10          1HB       LYS  10  -1.776  10.785  10.785
   72   1HG   LYS  10          2HG       LYS  10  -4.157  11.493  11.493
   73   2HG   LYS  10          1HG       LYS  10  -3.502  13.083  13.083
   74   1HD   LYS  10          2HD       LYS  10  -1.816  10.941  10.941
   75   2HD   LYS  10          1HD       LYS  10  -2.897  11.962  11.962
   76   1HE   LYS  10          2HE       LYS  10  -0.830  13.134  13.134
   77   2HE   LYS  10          1HE       LYS  10  -0.438  12.756  12.756
   78   1HZ   LYS  10          1HZ       LYS  10  -1.156  15.021  15.021
   79   2HZ   LYS  10          2HZ       LYS  10  -2.376  14.209  14.209
   80    H    ASP  11           H        ASP  11  -1.805   8.972   8.972
   81    HA   ASP  11           HA       ASP  11  -3.239   7.180   7.180
   82   1HB   ASP  11          2HB       ASP  11  -0.878   6.966   6.966
   83   2HB   ASP  11          1HB       ASP  11  -1.578   5.480   5.480
   84    HD1  ASP  11          2HD       ASP  11  -0.600   7.818   7.818
   85    H    ASN  12           H        ASN  12  -3.414   7.989   7.989
   86    HA   ASN  12           HA       ASN  12  -4.348   7.063   7.063
   87   1HB   ASN  12          2HB       ASN  12  -6.390   7.865   7.865
   88   2HB   ASN  12          1HB       ASN  12  -6.388   6.630   6.630
   89   1HD2  ASN  12          2HD2      ASN  12  -7.591   5.760   5.760
   90   2HD2  ASN  12          1HD2      ASN  12  -6.517   7.072   7.072
   91    H    ILE  13           H        ILE  13  -2.479   5.300   5.300
   92    HA   ILE  13           HA       ILE  13  -3.800   2.708   2.708
   93    HB   ILE  13           HB       ILE  13  -1.897   1.768   1.768
   94   1HG1  ILE  13          2HG1      ILE  13  -1.181   3.584   3.584
   95   2HG1  ILE  13          3HG1      ILE  13  -1.479   4.703   4.703
   96   1HG2  ILE  13          3HG2      ILE  13  -4.432   2.740   2.740
   97   2HG2  ILE  13          1HG2      ILE  13  -3.350   3.288   3.288
   98   3HG2  ILE  13          2HG2      ILE  13  -3.445   1.558   1.558
   99   1HD1  ILE  13          1HD1      ILE  13   0.076   2.287   2.287
  100   2HD1  ILE  13          2HD1      ILE  13   0.891   3.366   3.366
  101   3HD1  ILE  13          3HD1      ILE  13   0.346   3.997   3.997
  102    H    CYS  14           H        CYS  14  -1.657   1.073   1.073
  103    HA   CYS  14           HA       CYS  14  -0.121   2.426   2.426
  104   1HB   CYS  14          2HB       CYS  14  -1.767   1.483   1.483
  105   2HB   CYS  14          1HB       CYS  14  -1.922   0.054   0.054
  106    H    LYS  15           H        LYS  15   1.948   2.222   2.222
  107    HA   LYS  15           HA       LYS  15   2.603  -0.148  -0.148
  108   1HB   LYS  15          2HB       LYS  15   3.879   2.540   2.540
  109   2HB   LYS  15          1HB       LYS  15   4.839   1.208   1.208
  110   1HG   LYS  15          2HG       LYS  15   2.999   0.860   0.860
  111   2HG   LYS  15          1HG       LYS  15   2.317   2.385   2.385
  112   1HD   LYS  15          2HD       LYS  15   4.867   3.215   3.215
  113   2HD   LYS  15          1HD       LYS  15   4.903   1.860   1.860
  114   1HE   LYS  15          2HE       LYS  15   2.877   2.772   2.772
  115   2HE   LYS  15          1HE       LYS  15   2.859   4.133   4.133
  116   1HZ   LYS  15          1HZ       LYS  15   5.435   3.811   3.811
  117   2HZ   LYS  15          2HZ       LYS  15   4.294   3.981   3.981
  118    H    TYR  16           H        TYR  16   3.776  -1.855  -1.855
  119    HA   TYR  16           HA       TYR  16   5.379  -1.501  -1.501
  120   1HB   TYR  16          2HB       TYR  16   4.146  -3.409  -3.409
  121   2HB   TYR  16          1HB       TYR  16   3.037  -2.093  -2.093
  122    HD1  TYR  16           HD1      TYR  16   1.877  -2.250  -2.250
  123    HD2  TYR  16           HD2      TYR  16   3.476  -5.556  -5.556
  124    HE1  TYR  16           HE1      TYR  16   0.388  -3.846  -3.846
  125    HE2  TYR  16           HE2      TYR  16   1.981  -7.141  -7.141
  126    HH   TYR  16           HH       TYR  16  -0.353  -5.884  -5.884
  127    H    LYS  17           H        LYS  17   6.693  -3.509  -3.509
  128    HA   LYS  17           HA       LYS  17   7.782  -4.458  -4.458
  129   1HB   LYS  17          2HB       LYS  17   8.327  -4.962  -4.962
  130   2HB   LYS  17          1HB       LYS  17   9.126  -5.909  -5.909
  131   1HG   LYS  17          2HG       LYS  17   9.121  -2.942  -2.942
  132   2HG   LYS  17          1HG       LYS  17  10.082  -3.519  -3.519
  133   1HD   LYS  17          2HD       LYS  17  11.227  -5.146  -5.146
  134   2HD   LYS  17          1HD       LYS  17  10.310  -4.479  -4.479
  135   1HE   LYS  17          2HE       LYS  17  11.318  -2.238  -2.238
  136   2HE   LYS  17          1HE       LYS  17  12.193  -2.859  -2.859
  137   1HZ   LYS  17          1HZ       LYS  17  13.644  -2.906  -2.906
  138   2HZ   LYS  17          2HZ       LYS  17  13.283  -4.459  -4.459
  139    H    ALA  18           H        ALA  18   7.931  -6.706  -6.706
  140    HA   ALA  18           HA       ALA  18   5.553  -8.221  -8.221
  141   1HB   ALA  18          1HB       ALA  18   5.567  -7.318  -7.318
  142   2HB   ALA  18          2HB       ALA  18   7.019  -8.296  -8.296
  143   3HB   ALA  18          3HB       ALA  18   5.481  -9.094  -9.094
  144    H    GLN  19           H        GLN  19   7.937  -8.318  -8.318
  145    HA   GLN  19           HA       GLN  19   9.227  -9.791  -9.791
  146   1HB   GLN  19          2HB       GLN  19   7.660 -11.523 -11.523
  147   2HB   GLN  19          1HB       GLN  19   7.541 -11.629 -11.629
  148   1HG   GLN  19          2HG       GLN  19  10.219 -12.278 -12.278
  149   2HG   GLN  19          1HG       GLN  19   8.931 -13.423 -13.423
  150   1HE2  GLN  19          2HE2      GLN  19   8.292 -13.973 -13.973
  151   2HE2  GLN  19          1HE2      GLN  19   7.419 -13.457 -13.457
  152    H    SER  20           H        SER  20   9.021 -10.714 -10.714
  153    HA   SER  20           HA       SER  20  11.786 -11.273 -11.273
  154   1HB   SER  20          2HB       SER  20   9.483 -11.626 -11.626
  155   2HB   SER  20          1HB       SER  20  10.722 -10.822 -10.822
  156    HG   SER  20           HG       SER  20  10.969 -13.114 -13.114
  157    H    GLY  21           H        GLY  21  10.135  -8.387  -8.387
  158   1HA   GLY  21          1HA       GLY  21  11.108  -6.297  -6.297
  159   2HA   GLY  21          2HA       GLY  21  12.391  -6.879  -6.879
  160    H    LYS  22           H        LYS  22   9.878  -8.238  -8.238
  161    HA   LYS  22           HA       LYS  22   9.885  -6.708  -6.708
  162   1HB   LYS  22          2HB       LYS  22   7.952  -8.614  -8.614
  163   2HB   LYS  22          1HB       LYS  22   7.337  -7.608  -7.608
  164   1HG   LYS  22          2HG       LYS  22  10.030  -8.801  -8.801
  165   2HG   LYS  22          1HG       LYS  22   8.718  -9.956  -9.956
  166   1HD   LYS  22          2HD       LYS  22   7.972  -7.610  -7.610
  167   2HD   LYS  22          1HD       LYS  22   9.398  -8.408  -8.408
  168   1HE   LYS  22          2HE       LYS  22   7.391  -9.409  -9.409
  169   2HE   LYS  22          1HE       LYS  22   8.184 -10.596 -10.596
  170   1HZ   LYS  22          1HZ       LYS  22   5.815  -8.979  -8.979
  171   2HZ   LYS  22          2HZ       LYS  22   5.827 -10.580 -10.580
  172    H    THR  23           H        THR  23   8.290  -6.008  -6.008
  173    HA   THR  23           HA       THR  23   6.929  -4.343  -4.343
  174    HB   THR  23           HB       THR  23   9.297  -3.254  -3.254
  175    HG1  THR  23          1HG       THR  23   9.099  -2.044  -2.044
  176   1HG2  THR  23          1HG2      THR  23   6.815  -1.574  -1.574
  177   2HG2  THR  23          2HG2      THR  23   8.452  -0.876  -0.876
  178   3HG2  THR  23          3HG2      THR  23   7.769  -1.604  -1.604
  179    H    ALA  24           H        ALA  24   4.864  -4.696  -4.696
  180    HA   ALA  24           HA       ALA  24   4.204  -3.686  -3.686
  181   1HB   ALA  24          1HB       ALA  24   3.764  -6.171  -6.171
  182   2HB   ALA  24          2HB       ALA  24   2.258  -5.354  -5.354
  183   3HB   ALA  24          3HB       ALA  24   2.728  -5.412  -5.412
  184    H    ILE  25           H        ILE  25   1.595  -3.106  -3.106
  185    HA   ILE  25           HA       ILE  25   1.474  -1.093  -1.093
  186    HB   ILE  25           HB       ILE  25  -0.057  -1.025  -1.025
  187   1HG1  ILE  25          2HG1      ILE  25   2.716   0.098   0.098
  188   2HG1  ILE  25          3HG1      ILE  25   2.326  -1.240  -1.240
  189   1HG2  ILE  25          2HG2      ILE  25  -0.281   0.480   0.480
  190   2HG2  ILE  25          3HG2      ILE  25   0.834   1.461   1.461
  191   3HG2  ILE  25          1HG2      ILE  25  -0.758   1.002   1.002
  192   1HD1  ILE  25          2HD1      ILE  25   0.824   0.287   0.287
  193   2HD1  ILE  25          3HD1      ILE  25   1.346   1.636   1.636
  194   3HD1  ILE  25          1HD1      ILE  25   2.527   0.805   0.805
  195    H    CYS  26           H        CYS  26  -0.513  -0.791  -0.791
  196    HA   CYS  26           HA       CYS  26  -2.451  -2.938  -2.938
  197   1HB   CYS  26          2HB       CYS  26  -1.484  -3.879  -3.879
  198   2HB   CYS  26          1HB       CYS  26  -0.863  -2.359  -2.359
  199    H    LYS  27           H        LYS  27  -4.145  -1.690  -1.690
  200    HA   LYS  27           HA       LYS  27  -4.626   0.922   0.922
  201   1HB   LYS  27          2HB       LYS  27  -7.149   0.135   0.135
  202   2HB   LYS  27          1HB       LYS  27  -6.079  -0.058  -0.058
  203   1HG   LYS  27          2HG       LYS  27  -5.842  -2.374  -2.374
  204   2HG   LYS  27          1HG       LYS  27  -6.173  -2.281  -2.281
  205   1HD   LYS  27          2HD       LYS  27  -8.374  -2.698  -2.698
  206   2HD   LYS  27          1HD       LYS  27  -8.504  -1.323  -1.323
  207   1HE   LYS  27          2HE       LYS  27  -7.929  -2.634  -2.634
  208   2HE   LYS  27          1HE       LYS  27  -7.295  -3.946  -3.946
  209   1HZ   LYS  27          1HZ       LYS  27 -10.001  -3.470  -3.470
  210   2HZ   LYS  27          2HZ       LYS  27  -9.342  -4.833  -4.833
  211    H    CYS  28           H        CYS  28  -5.754   2.312   2.312
  212    HA   CYS  28           HA       CYS  28  -5.475   1.497   1.497
  213   1HB   CYS  28          2HB       CYS  28  -6.134   4.041   4.041
  214   2HB   CYS  28          1HB       CYS  28  -6.576   3.890   3.890
  215    H    TYR  29           H        TYR  29  -7.567   2.520   2.520
  216    HA   TYR  29           HA       TYR  29 -10.113   2.223   2.223
  217   1HB   TYR  29          2HB       TYR  29  -9.456  -0.159  -0.159
  218   2HB   TYR  29          1HB       TYR  29  -8.773  -0.214  -0.214
  219    HD1  TYR  29           HD2      TYR  29 -12.096   0.977   0.977
  220    HD2  TYR  29           HD1      TYR  29  -9.991  -1.705  -1.705
  221    HE1  TYR  29           HE2      TYR  29 -14.305   0.109   0.109
  222    HE2  TYR  29           HE1      TYR  29 -12.207  -2.564  -2.564
  223    HH   TYR  29           HH       TYR  29 -14.371  -2.201  -2.201
  224    H    VAL  30           H        VAL  30 -11.797   2.349   2.349
  225    HA   VAL  30           HA       VAL  30 -12.620   3.041   3.041
  226    HB   VAL  30           HB       VAL  30 -10.054   2.093   2.093
  227   1HG1  VAL  30          3HG1      VAL  30 -12.772   2.852   2.852
  228   2HG1  VAL  30          1HG1      VAL  30 -11.933   1.504   1.504
  229   3HG1  VAL  30          2HG1      VAL  30 -11.170   3.111   3.111
  230   1HG2  VAL  30          3HG2      VAL  30 -12.115   0.578   0.578
  231   2HG2  VAL  30          1HG2      VAL  30 -10.541   0.046   0.046
  232   3HG2  VAL  30          2HG2      VAL  30 -11.966   0.085   0.085
  233    H    LYS  31           H        LYS  31  -9.102   3.666   3.666
  234    HA   LYS  31           HA       LYS  31  -9.802   6.519   6.519
  235   1HB   LYS  31          2HB       LYS  31  -8.244   4.793   4.793
  236   2HB   LYS  31          1HB       LYS  31  -7.523   6.349   6.349
  237   1HG   LYS  31          2HG       LYS  31 -10.448   6.463   6.463
  238   2HG   LYS  31          1HG       LYS  31  -9.490   5.913   5.913
  239   1HD   LYS  31          2HD       LYS  31  -7.938   7.991   7.991
  240   2HD   LYS  31          1HD       LYS  31  -9.385   8.571   8.571
  241   1HE   LYS  31          2HE       LYS  31 -10.644   8.609   8.609
  242   2HE   LYS  31          1HE       LYS  31  -9.480   7.600   7.600
  243   1HZ   LYS  31          1HZ       LYS  31  -9.415  10.442  10.442
  244   2HZ   LYS  31          2HZ       LYS  31  -8.618   9.549   9.549
  245    H    LYS  32           H        LYS  32  -9.394   6.938   6.938
  246    HA   LYS  32           HA       LYS  32  -7.413   5.992   5.992
  247   1HB   LYS  32          2HB       LYS  32  -7.488   8.446   8.446
  248   2HB   LYS  32          1HB       LYS  32  -8.844   7.349   7.349
  249   1HG   LYS  32          2HG       LYS  32  -8.888   8.871   8.871
  250   2HG   LYS  32          1HG       LYS  32  -8.947   9.901   9.901
  251   1HD   LYS  32          2HD       LYS  32 -10.765   7.474   7.474
  252   2HD   LYS  32          1HD       LYS  32 -11.209   9.044   9.044
  253   1HE   LYS  32          2HE       LYS  32 -10.359   9.602   9.602
  254   2HE   LYS  32          1HE       LYS  32 -11.238   8.094   8.094
  255   1HZ   LYS  32          1HZ       LYS  32 -13.186   9.111   9.111
  256   2HZ   LYS  32          2HZ       LYS  32 -12.524  10.101  10.101
  257    H    CYS  33           H        CYS  33  -5.337   7.092   7.092
  258    HA   CYS  33           HA       CYS  33  -3.563   7.176   7.176
  259   1HB   CYS  33          2HB       CYS  33  -2.837   6.621   6.621
  260   2HB   CYS  33          1HB       CYS  33  -3.326   8.184   8.184
  261    HA   PRO  34           HA       PRO  34  -4.170  11.282  11.282
  262   1HB   PRO  34          2HB       PRO  34  -2.042  11.501  11.501
  263   2HB   PRO  34          1HB       PRO  34  -3.552  10.732  10.732
  264   1HG   PRO  34          2HG       PRO  34  -0.959   9.477   9.477
  265   2HG   PRO  34          1HG       PRO  34  -2.329   8.785   8.785
  266   1HD   PRO  34          2HD       PRO  34  -1.569   8.300   8.300
  267   2HD   PRO  34          1HD       PRO  34  -3.002   7.700   7.700
  268    H    ARG  35           H        ARG  35  -1.080  10.311  10.311
  269    HA   ARG  35           HA       ARG  35  -1.001  12.372  12.372
  270   1HB   ARG  35          2HB       ARG  35   0.924  13.742  13.742
  271   2HB   ARG  35          1HB       ARG  35  -0.681  14.019  14.019
  272   1HG   ARG  35          2HG       ARG  35   0.184  11.917  11.917
  273   2HG   ARG  35          1HG       ARG  35   1.690  12.763  12.763
  274   1HD   ARG  35          2HD       ARG  35   0.131  14.912  14.912
  275   2HD   ARG  35          1HD       ARG  35  -0.759  13.699  13.699
  276    HE   ARG  35           HE       ARG  35   1.990  14.632  14.632
  277   1HH1  ARG  35          2HH2      ARG  35  -0.518  12.233  12.233
  278   2HH1  ARG  35          1HH2      ARG  35   0.191  11.756  11.756
  279    HH2  ARG  35          1HH       ARG  35   2.215  12.810  12.810
  280    H    ASP  36           H        ASP  36   0.864  12.159  12.159
  281    HA   ASP  36           HA       ASP  36   1.942   9.782   9.782
  282   1HB   ASP  36          2HB       ASP  36   2.517  11.259  11.259
  283   2HB   ASP  36          1HB       ASP  36   2.902  12.559  12.559
  284    HD1  ASP  36          2HD       ASP  36   5.919  12.293  12.293
  285    H    GLY  37           H        GLY  37   3.620   8.519   8.519
  286   1HA   GLY  37          1HA       GLY  37   5.601   8.200   8.200
  287   2HA   GLY  37          2HA       GLY  37   5.463   9.797   9.797
  288    H    ALA  38           H        ALA  38   2.492   9.331   9.331
  289    HA   ALA  38           HA       ALA  38   2.581   8.746   8.746
  290   1HB   ALA  38          3HB       ALA  38   0.451   8.095   8.095
  291   2HB   ALA  38          1HB       ALA  38   0.180   7.951   7.951
  292   3HB   ALA  38          2HB       ALA  38   0.565   9.536   9.536
  293    H    LYS  39           H        LYS  39   3.238   7.055   7.055
  294    HA   LYS  39           HA       LYS  39   3.972   4.617   4.617
  295   1HB   LYS  39          2HB       LYS  39   5.164   5.597   5.597
  296   2HB   LYS  39          1HB       LYS  39   3.752   5.364   5.364
  297   1HG   LYS  39          2HG       LYS  39   3.933   2.837   2.837
  298   2HG   LYS  39          1HG       LYS  39   5.586   3.274   3.274
  299   1HD   LYS  39          2HD       LYS  39   5.683   2.440   2.440
  300   2HD   LYS  39          1HD       LYS  39   5.777   4.182   4.182
  301   1HE   LYS  39          2HE       LYS  39   3.576   4.365   4.365
  302   2HE   LYS  39          1HE       LYS  39   3.048   2.882   2.882
  303   1HZ   LYS  39          1HZ       LYS  39   5.143   2.462   2.462
  304   2HZ   LYS  39          2HZ       LYS  39   3.792   3.084   3.084
  305    H    CYS  40           H        CYS  40   3.052   2.513   2.513
  306    HA   CYS  40           HA       CYS  40   0.550   2.267   2.267
  307   1HB   CYS  40          2HB       CYS  40  -0.374   3.261   3.261
  308   2HB   CYS  40          1HB       CYS  40   0.635   2.312   2.312
  309    H    GLU  41           H        GLU  41  -0.210  -0.092  -0.092
  310    HA   GLU  41           HA       GLU  41   2.023  -1.798  -1.798
  311   1HB   GLU  41          2HB       GLU  41   0.904  -3.191  -3.191
  312   2HB   GLU  41          1HB       GLU  41   2.325  -2.174  -2.174
  313   1HG   GLU  41          2HG       GLU  41  -0.501  -1.085  -1.085
  314   2HG   GLU  41          1HG       GLU  41   0.435  -1.725  -1.725
  315    HE1  GLU  41          2HE       GLU  41   2.968  -0.088  -0.088
  316    H    PHE  42           H        PHE  42   1.459  -3.585  -3.585
  317    HA   PHE  42           HA       PHE  42  -1.369  -3.820  -3.820
  318   1HB   PHE  42          2HB       PHE  42   0.211  -3.667  -3.667
  319   2HB   PHE  42          1HB       PHE  42   1.296  -4.828  -4.828
  320    HD1  PHE  42          2HD       PHE  42  -2.164  -4.577  -4.577
  321    HD2  PHE  42          1HD       PHE  42   1.222  -7.041  -7.041
  322    HE1  PHE  42          2HE       PHE  42  -3.241  -6.422  -6.422
  323    HE2  PHE  42          1HE       PHE  42   0.145  -8.887  -8.887
  324    HZ   PHE  42           HZ       PHE  42  -2.074  -8.555  -8.555
  325    H    ASP  43           H        ASP  43  -2.488  -5.127  -5.127
  326    HA   ASP  43           HA       ASP  43  -1.262  -7.164  -7.164
  327   1HB   ASP  43          2HB       ASP  43  -3.429  -7.620  -7.620
  328   2HB   ASP  43          1HB       ASP  43  -3.487  -5.913  -5.913
  329    HD2  ASP  43          2HD       ASP  43  -5.599  -5.596  -5.596
  330    H    SER  44           H        SER  44  -0.644  -9.193  -9.193
  331    HA   SER  44           HA       SER  44  -1.494  -9.975  -9.975
  332   1HB   SER  44          2HB       SER  44   0.363 -11.297 -11.297
  333   2HB   SER  44          1HB       SER  44   0.799 -10.367 -10.367
  334    HG   SER  44           HG       SER  44   0.755 -12.857 -12.857
  335    H    TYR  45           H        TYR  45  -3.068 -10.026 -10.026
  336    HA   TYR  45           HA       TYR  45  -3.903 -12.747 -12.747
  337   1HB   TYR  45          2HB       TYR  45  -5.363 -10.245 -10.245
  338   2HB   TYR  45          1HB       TYR  45  -5.289 -11.812 -11.812
  339    HD1  TYR  45           HD1      TYR  45  -2.260 -12.228 -12.228
  340    HD2  TYR  45           HD2      TYR  45  -4.605  -8.878  -8.878
  341    HE1  TYR  45           HE1      TYR  45  -0.332 -11.411 -11.411
  342    HE2  TYR  45           HE2      TYR  45  -2.669  -8.072  -8.072
  343    HH   TYR  45           HH       TYR  45  -0.134  -9.990  -9.990
  344    H    LYS  46           H        LYS  46  -5.143  -9.731  -9.731
  345    HA   LYS  46           HA       LYS  46  -7.142 -11.401 -11.401
  346   1HB   LYS  46          2HB       LYS  46  -7.601  -8.655  -8.655
  347   2HB   LYS  46          1HB       LYS  46  -8.728  -9.485  -9.485
  348   1HG   LYS  46          2HG       LYS  46  -8.294 -11.470 -11.470
  349   2HG   LYS  46          1HG       LYS  46  -7.996 -10.079 -10.079
  350   1HD   LYS  46          2HD       LYS  46 -10.197  -9.178  -9.178
  351   2HD   LYS  46          1HD       LYS  46 -10.479 -10.250 -10.250
  352   1HE   LYS  46          2HE       LYS  46 -11.268 -11.893 -11.893
  353   2HE   LYS  46          1HE       LYS  46  -9.846 -11.817 -11.817
  354   1HZ   LYS  46          1HZ       LYS  46 -11.774  -9.639  -9.639
  355   2HZ   LYS  46          2HZ       LYS  46 -12.225 -11.089 -11.089
  356    H    GLY  47           H        GLY  47  -5.351  -8.249  -8.249
  357   1HA   GLY  47          1HA       GLY  47  -3.893  -7.883  -7.883
  358   2HA   GLY  47          2HA       GLY  47  -5.193  -8.463  -8.463
  359    H    LYS  48           H        LYS  48  -5.620  -6.372  -6.372
  360    HA   LYS  48           HA       LYS  48  -6.839  -4.388  -4.388
  361   1HB   LYS  48          2HB       LYS  48  -6.968  -4.901  -4.901
  362   2HB   LYS  48          1HB       LYS  48  -7.610  -3.444  -3.444
  363   1HG   LYS  48          2HG       LYS  48  -8.835  -5.137  -5.137
  364   2HG   LYS  48          1HG       LYS  48  -8.520  -6.309  -6.309
  365   1HD   LYS  48          2HD       LYS  48  -9.663  -3.695  -3.695
  366   2HD   LYS  48          1HD       LYS  48 -10.731  -4.693  -4.693
  367   1HE   LYS  48          2HE       LYS  48  -9.241  -5.673  -5.673
  368   2HE   LYS  48          1HE       LYS  48 -10.910  -5.138  -5.138
  369   1HZ   LYS  48          1HZ       LYS  48  -9.785  -7.583  -7.583
  370   2HZ   LYS  48          2HZ       LYS  48 -11.202  -7.372  -7.372
  371    H    CYS  49           H        CYS  49  -6.502  -2.046  -2.046
  372    HA   CYS  49           HA       CYS  49  -3.595  -1.773  -1.773
  373   1HB   CYS  49          2HB       CYS  49  -3.771  -0.783  -0.783
  374   2HB   CYS  49          1HB       CYS  49  -5.468  -0.394  -0.394
  375    H    TYR  50           H        TYR  50  -3.367  -1.414  -1.414
  376    HA   TYR  50           HA       TYR  50  -5.404   0.050   0.050
  377   1HB   TYR  50          2HB       TYR  50  -2.823  -1.489  -1.489
  378   2HB   TYR  50          1HB       TYR  50  -3.331  -0.377  -0.377
  379    HD1  TYR  50           HD2      TYR  50  -6.270  -0.694  -0.694
  380    HD2  TYR  50           HD1      TYR  50  -3.182  -3.631  -3.631
  381    HE1  TYR  50           HE2      TYR  50  -7.833  -2.469  -2.469
  382    HE2  TYR  50           HE1      TYR  50  -4.756  -5.396  -5.396
  383    HH   TYR  50           HH       TYR  50  -7.766  -4.547  -4.547
  384    H    CYS  51           H        CYS  51  -4.398   1.737   1.737
  385    HA   CYS  51           HA       CYS  51  -2.164   3.187   3.187
  386   1HB   CYS  51          2HB       CYS  51  -4.691   4.449   4.449
  387   2HB   CYS  51          1HB       CYS  51  -3.030   4.902   4.902

  Start of MODEL   33
    1    H    ALA   1           H        ALA   1   3.888 -11.412 -11.412
    2    HA   ALA   1           HA       ALA   1   5.559 -10.688 -10.688
    3   1HB   ALA   1          1HB       ALA   1   3.409 -12.521 -12.521
    4   2HB   ALA   1          2HB       ALA   1   3.155 -11.759 -11.759
    5   3HB   ALA   1          3HB       ALA   1   4.687 -12.593 -12.593
    6    H    THR   2           H        THR   2   3.663  -8.473  -8.473
    7    HA   THR   2           HA       THR   2   2.242  -7.477  -7.477
    8    HB   THR   2           HB       THR   2   2.979  -5.697  -5.697
    9    HG1  THR   2          1HG       THR   2   2.295  -7.221  -7.221
   10   1HG2  THR   2          2HG2      THR   2   0.924  -5.742  -5.742
   11   2HG2  THR   2          3HG2      THR   2   0.173  -6.583  -6.583
   12   3HG2  THR   2          1HG2      THR   2   0.816  -4.936  -4.936
   13    H    TYR   3           H        TYR   3   2.991  -6.413  -6.413
   14    HA   TYR   3           HA       TYR   3   5.758  -5.555  -5.555
   15   1HB   TYR   3          2HB       TYR   3   3.612  -5.299  -5.299
   16   2HB   TYR   3          1HB       TYR   3   5.344  -5.403  -5.403
   17    HD1  TYR   3           HD1      TYR   3   6.028  -7.729  -7.729
   18    HD2  TYR   3           HD2      TYR   3   2.757  -7.132  -7.132
   19    HE1  TYR   3           HE1      TYR   3   5.826 -10.242 -10.242
   20    HE2  TYR   3           HE2      TYR   3   2.566  -9.647  -9.647
   21    HH   TYR   3           HH       TYR   3   3.833 -11.817 -11.817
   22    H    ASN   4           H        ASN   4   6.336  -3.528  -3.528
   23    HA   ASN   4           HA       ASN   4   4.284  -1.529  -1.529
   24   1HB   ASN   4          2HB       ASN   4   7.219  -1.608  -1.608
   25   2HB   ASN   4          1HB       ASN   4   6.281  -0.129  -0.129
   26   1HD2  ASN   4          2HD2      ASN   4   4.694  -3.266  -3.266
   27   2HD2  ASN   4          1HD2      ASN   4   5.115  -3.423  -3.423
   28    H    GLY   5           H        GLY   5   4.801   0.724   0.724
   29   1HA   GLY   5          1HA       GLY   5   6.840   1.075   1.075
   30   2HA   GLY   5          2HA       GLY   5   5.358   0.597   0.597
   31    H    LYS   6           H        LYS   6   4.596   2.476   2.476
   32    HA   LYS   6           HA       LYS   6   3.695   4.520   4.520
   33   1HB   LYS   6          2HB       LYS   6   5.706   5.192   5.192
   34   2HB   LYS   6          1HB       LYS   6   4.819   6.356   6.356
   35   1HG   LYS   6          2HG       LYS   6   5.822   5.312   5.312
   36   2HG   LYS   6          1HG       LYS   6   6.792   4.278   4.278
   37   1HD   LYS   6          2HD       LYS   6   7.730   6.379   6.379
   38   2HD   LYS   6          1HD       LYS   6   6.871   7.329   7.329
   39   1HE   LYS   6          2HE       LYS   6   8.213   6.549   6.549
   40   2HE   LYS   6          1HE       LYS   6   8.691   5.095   5.095
   41   1HZ   LYS   6          1HZ       LYS   6  10.142   7.411   7.411
   42   2HZ   LYS   6          2HZ       LYS   6  10.420   6.186   6.186
   43    H    CYS   7           H        CYS   7   2.007   5.814   5.814
   44    HA   CYS   7           HA       CYS   7   1.116   4.813   4.813
   45   1HB   CYS   7          2HB       CYS   7  -0.343   3.831   3.831
   46   2HB   CYS   7          1HB       CYS   7  -0.474   5.306   5.306
   47    H    TYR   8           H        TYR   8  -0.131   6.444   6.444
   48    HA   TYR   8           HA       TYR   8   0.555   9.183   9.183
   49   1HB   TYR   8          2HB       TYR   8   0.112   7.980   7.980
   50   2HB   TYR   8          1HB       TYR   8   0.766   9.570   9.570
   51    HD1  TYR   8           HD1      TYR   8   2.506   8.329   8.329
   52    HD2  TYR   8           HD2      TYR   8   2.070   7.491   7.491
   53    HE1  TYR   8           HE1      TYR   8   4.860   7.371   7.371
   54    HE2  TYR   8           HE2      TYR   8   4.426   6.535   6.535
   55    HH   TYR   8           HH       TYR   8   6.658   7.147   7.147
   56    H    LYS   9           H        LYS   9  -1.145  10.514  10.514
   57    HA   LYS   9           HA       LYS   9  -3.741   9.728   9.728
   58   1HB   LYS   9          2HB       LYS   9  -4.242  12.222  12.222
   59   2HB   LYS   9          1HB       LYS   9  -3.182  11.664  11.664
   60   1HG   LYS   9          2HG       LYS   9  -1.713  13.252  13.252
   61   2HG   LYS   9          1HG       LYS   9  -1.382  12.194  12.194
   62   1HD   LYS   9          2HD       LYS   9  -1.939  14.285  14.285
   63   2HD   LYS   9          1HD       LYS   9  -3.384  13.313  13.313
   64   1HE   LYS   9          2HE       LYS   9  -4.523  14.438  14.438
   65   2HE   LYS   9          1HE       LYS   9  -3.039  15.122  15.122
   66   1HZ   LYS   9          1HZ       LYS   9  -4.672  16.469  16.469
   67   2HZ   LYS   9          2HZ       LYS   9  -3.076  16.781  16.781
   68    H    LYS  10           H        LYS  10  -2.171  11.783  11.783
   69    HA   LYS  10           HA       LYS  10  -4.236  11.892  11.892
   70   1HB   LYS  10          2HB       LYS  10  -1.894  12.945  12.945
   71   2HB   LYS  10          1HB       LYS  10  -1.382  11.473  11.473
   72   1HG   LYS  10          2HG       LYS  10  -2.143  12.339  12.339
   73   2HG   LYS  10          1HG       LYS  10  -3.774  12.185  12.185
   74   1HD   LYS  10          2HD       LYS  10  -2.732  14.529  14.529
   75   2HD   LYS  10          1HD       LYS  10  -2.189  14.605  14.605
   76   1HE   LYS  10          2HE       LYS  10  -4.752  13.861  13.861
   77   2HE   LYS  10          1HE       LYS  10  -4.996  14.633  14.633
   78   1HZ   LYS  10          1HZ       LYS  10  -5.140  16.448  16.448
   79   2HZ   LYS  10          2HZ       LYS  10  -3.527  16.494  16.494
   80    H    ASP  11           H        ASP  11  -1.541   9.521   9.521
   81    HA   ASP  11           HA       ASP  11  -3.074   7.949   7.949
   82   1HB   ASP  11          2HB       ASP  11  -0.690   7.139   7.139
   83   2HB   ASP  11          1HB       ASP  11  -1.279   6.239   6.239
   84    HD2  ASP  11          2HD       ASP  11   0.976   6.656   6.656
   85    H    ASN  12           H        ASN  12  -3.162   8.399   8.399
   86    HA   ASN  12           HA       ASN  12  -3.799   7.148   7.148
   87   1HB   ASN  12          2HB       ASN  12  -5.895   8.042   8.042
   88   2HB   ASN  12          1HB       ASN  12  -6.151   6.360   6.360
   89   1HD2  ASN  12          2HD2      ASN  12  -8.142   6.123   6.123
   90   2HD2  ASN  12          1HD2      ASN  12  -8.031   6.144   6.144
   91    H    ILE  13           H        ILE  13  -1.938   5.513   5.513
   92    HA   ILE  13           HA       ILE  13  -3.211   2.892   2.892
   93    HB   ILE  13           HB       ILE  13  -1.356   2.247   2.247
   94   1HG1  ILE  13          2HG1      ILE  13  -0.624   4.055   4.055
   95   2HG1  ILE  13          3HG1      ILE  13  -1.378   5.243   5.243
   96   1HG2  ILE  13          2HG2      ILE  13  -3.937   3.604   3.604
   97   2HG2  ILE  13          3HG2      ILE  13  -2.849   3.476   3.476
   98   3HG2  ILE  13          1HG2      ILE  13  -3.350   2.009   2.009
   99   1HD1  ILE  13          1HD1      ILE  13   0.465   3.346   3.346
  100   2HD1  ILE  13          2HD1      ILE  13   1.233   4.464   4.464
  101   3HD1  ILE  13          3HD1      ILE  13   0.277   5.104   5.104
  102    H    CYS  14           H        CYS  14  -2.027   1.240   1.240
  103    HA   CYS  14           HA       CYS  14  -0.203   2.281   2.281
  104   1HB   CYS  14          2HB       CYS  14  -1.898  -0.053  -0.053
  105   2HB   CYS  14          1HB       CYS  14  -0.290  -0.511  -0.511
  106    H    LYS  15           H        LYS  15   1.733   2.846   2.846
  107    HA   LYS  15           HA       LYS  15   2.910   0.884   0.884
  108   1HB   LYS  15          2HB       LYS  15   2.789   3.410   3.410
  109   2HB   LYS  15          1HB       LYS  15   4.049   3.574   3.574
  110   1HG   LYS  15          2HG       LYS  15   4.380   1.591   1.591
  111   2HG   LYS  15          1HG       LYS  15   4.712   3.291   3.291
  112   1HD   LYS  15          2HD       LYS  15   6.002   2.643   2.643
  113   2HD   LYS  15          1HD       LYS  15   6.337   1.298   1.298
  114   1HE   LYS  15          2HE       LYS  15   6.764   3.397   3.397
  115   2HE   LYS  15          1HE       LYS  15   7.211   4.152   4.152
  116   1HZ   LYS  15          1HZ       LYS  15   8.391   1.704   1.704
  117   2HZ   LYS  15          2HZ       LYS  15   9.155   3.095   3.095
  118    H    TYR  16           H        TYR  16   3.931  -0.805  -0.805
  119    HA   TYR  16           HA       TYR  16   6.022  -0.201  -0.201
  120   1HB   TYR  16          2HB       TYR  16   5.039  -1.827  -1.827
  121   2HB   TYR  16          1HB       TYR  16   3.905  -0.522  -0.522
  122    HD1  TYR  16           HD1      TYR  16   1.847  -0.906  -0.906
  123    HD2  TYR  16           HD2      TYR  16   4.574  -4.095  -4.095
  124    HE1  TYR  16           HE1      TYR  16   0.067  -2.605  -2.605
  125    HE2  TYR  16           HE2      TYR  16   2.785  -5.783  -5.783
  126    HH   TYR  16           HH       TYR  16  -0.218  -4.762  -4.762
  127    H    LYS  17           H        LYS  17   6.940  -2.567  -2.567
  128    HA   LYS  17           HA       LYS  17   7.708  -3.764  -3.764
  129   1HB   LYS  17          2HB       LYS  17   8.430  -4.448  -4.448
  130   2HB   LYS  17          1HB       LYS  17   9.177  -5.140  -5.140
  131   1HG   LYS  17          2HG       LYS  17   9.171  -2.245  -2.245
  132   2HG   LYS  17          1HG       LYS  17   9.837  -2.678  -2.678
  133   1HD   LYS  17          2HD       LYS  17  11.786  -2.944  -2.944
  134   2HD   LYS  17          1HD       LYS  17  11.122  -4.522  -4.522
  135   1HE   LYS  17          2HE       LYS  17  10.091  -3.569  -3.569
  136   2HE   LYS  17          1HE       LYS  17  10.820  -2.018  -2.018
  137   1HZ   LYS  17          1HZ       LYS  17  12.024  -4.068  -4.068
  138   2HZ   LYS  17          2HZ       LYS  17  12.781  -2.745  -2.745
  139    H    ALA  18           H        ALA  18   7.780  -6.344  -6.344
  140    HA   ALA  18           HA       ALA  18   5.317  -7.320  -7.320
  141   1HB   ALA  18          3HB       ALA  18   6.007  -7.356  -7.356
  142   2HB   ALA  18          1HB       ALA  18   5.077  -8.706  -8.706
  143   3HB   ALA  18          2HB       ALA  18   4.444  -7.045  -7.045
  144    H    GLN  19           H        GLN  19   7.911  -7.560  -7.560
  145    HA   GLN  19           HA       GLN  19   9.237  -9.062  -9.062
  146   1HB   GLN  19          2HB       GLN  19   7.573 -10.588 -10.588
  147   2HB   GLN  19          1HB       GLN  19   7.070 -10.856 -10.856
  148   1HG   GLN  19          2HG       GLN  19   8.917 -12.302 -12.302
  149   2HG   GLN  19          1HG       GLN  19   9.828 -11.732 -11.732
  150   1HE2  GLN  19          2HE2      GLN  19   7.984 -15.109 -15.109
  151   2HE2  GLN  19          1HE2      GLN  19   8.766 -14.407 -14.407
  152    H    SER  20           H        SER  20   8.214 -10.344 -10.344
  153    HA   SER  20           HA       SER  20  11.038 -10.731 -10.731
  154   1HB   SER  20          2HB       SER  20   9.738 -11.883 -11.883
  155   2HB   SER  20          1HB       SER  20  10.186 -12.740 -12.740
  156    HG   SER  20           HG       SER  20   7.637 -11.435 -11.435
  157    H    GLY  21           H        GLY  21   9.143  -8.191  -8.191
  158   1HA   GLY  21          1HA       GLY  21   9.053  -6.325  -6.325
  159   2HA   GLY  21          2HA       GLY  21  10.422  -6.930  -6.930
  160    H    LYS  22           H        LYS  22   7.833  -9.207  -9.207
  161    HA   LYS  22           HA       LYS  22   7.462  -9.082  -9.082
  162   1HB   LYS  22          2HB       LYS  22   7.051 -11.040 -11.040
  163   2HB   LYS  22          1HB       LYS  22   5.574 -10.262 -10.262
  164   1HG   LYS  22          2HG       LYS  22   5.308 -10.093 -10.093
  165   2HG   LYS  22          1HG       LYS  22   6.178 -11.605 -11.605
  166   1HD   LYS  22          2HD       LYS  22   4.470 -12.493 -12.493
  167   2HD   LYS  22          1HD       LYS  22   3.650 -10.945 -10.945
  168   1HE   LYS  22          2HE       LYS  22   2.378 -11.685 -11.685
  169   2HE   LYS  22          1HE       LYS  22   3.792 -11.481 -11.481
  170   1HZ   LYS  22          1HZ       LYS  22   4.423 -13.794 -13.794
  171   2HZ   LYS  22          2HZ       LYS  22   3.064 -13.976 -13.976
  172    H    THR  23           H        THR  23   4.802  -8.470  -8.470
  173    HA   THR  23           HA       THR  23   3.247  -7.010  -7.010
  174    HB   THR  23           HB       THR  23   3.279  -7.818  -7.818
  175    HG1  THR  23          1HG       THR  23   1.445  -8.276  -8.276
  176   1HG2  THR  23          1HG2      THR  23   3.654  -5.197  -5.197
  177   2HG2  THR  23          2HG2      THR  23   1.979  -5.099  -5.099
  178   3HG2  THR  23          3HG2      THR  23   2.337  -5.960  -5.960
  179    H    ALA  24           H        ALA  24   2.542  -4.598  -4.598
  180    HA   ALA  24           HA       ALA  24   4.353  -2.771  -2.771
  181   1HB   ALA  24          1HB       ALA  24   5.014  -3.803  -3.803
  182   2HB   ALA  24          2HB       ALA  24   4.956  -2.029  -2.029
  183   3HB   ALA  24          3HB       ALA  24   6.040  -2.964  -2.964
  184    H    ILE  25           H        ILE  25   2.907  -1.205  -1.205
  185    HA   ILE  25           HA       ILE  25   1.326   0.323   0.323
  186    HB   ILE  25           HB       ILE  25   1.290  -0.356  -0.356
  187   1HG1  ILE  25          2HG1      ILE  25   2.884   1.902   1.902
  188   2HG1  ILE  25          3HG1      ILE  25   3.561   0.286   0.286
  189   1HG2  ILE  25          3HG2      ILE  25  -0.635   0.959   0.959
  190   2HG2  ILE  25          1HG2      ILE  25   0.499   2.190   2.190
  191   3HG2  ILE  25          2HG2      ILE  25   0.390   1.863   1.863
  192   1HD1  ILE  25          2HD1      ILE  25   2.853   0.257   0.257
  193   2HD1  ILE  25          3HD1      ILE  25   2.727   2.023   2.023
  194   3HD1  ILE  25          1HD1      ILE  25   4.283   1.207   1.207
  195    H    CYS  26           H        CYS  26  -0.877   0.303   0.303
  196    HA   CYS  26           HA       CYS  26  -2.515  -1.727  -1.727
  197   1HB   CYS  26          2HB       CYS  26  -1.468  -3.066  -3.066
  198   2HB   CYS  26          1HB       CYS  26  -1.850  -1.869  -1.869
  199    H    LYS  27           H        LYS  27  -4.253  -0.441  -0.441
  200    HA   LYS  27           HA       LYS  27  -4.806   2.031   2.031
  201   1HB   LYS  27          2HB       LYS  27  -7.002  -0.012  -0.012
  202   2HB   LYS  27          1HB       LYS  27  -7.046   1.702   1.702
  203   1HG   LYS  27          2HG       LYS  27  -4.904   1.026   1.026
  204   2HG   LYS  27          1HG       LYS  27  -5.714  -0.528  -0.528
  205   1HD   LYS  27          2HD       LYS  27  -6.958   0.300   0.300
  206   2HD   LYS  27          1HD       LYS  27  -7.837   1.185   1.185
  207   1HE   LYS  27          2HE       LYS  27  -6.591   3.189   3.189
  208   2HE   LYS  27          1HE       LYS  27  -5.290   2.343   2.343
  209   1HZ   LYS  27          1HZ       LYS  27  -7.931   2.148   2.148
  210   2HZ   LYS  27          2HZ       LYS  27  -7.193   3.596   3.596
  211    H    CYS  28           H        CYS  28  -5.856   3.130   3.130
  212    HA   CYS  28           HA       CYS  28  -5.892   1.640   1.640
  213   1HB   CYS  28          2HB       CYS  28  -5.524   4.415   4.415
  214   2HB   CYS  28          1HB       CYS  28  -6.669   4.267   4.267
  215    H    TYR  29           H        TYR  29  -7.783   0.317   0.317
  216    HA   TYR  29           HA       TYR  29 -10.229   1.217   1.217
  217   1HB   TYR  29          2HB       TYR  29 -10.947  -0.916  -0.916
  218   2HB   TYR  29          1HB       TYR  29  -9.239  -1.157  -1.157
  219    HD1  TYR  29           HD2      TYR  29 -11.679  -0.321  -0.321
  220    HD2  TYR  29           HD1      TYR  29  -7.760  -1.755  -1.755
  221    HE1  TYR  29           HE2      TYR  29 -11.325  -0.978  -0.978
  222    HE2  TYR  29           HE1      TYR  29  -7.419  -2.407  -2.407
  223    HH   TYR  29           HH       TYR  29 -10.006  -2.484  -2.484
  224    H    VAL  30           H        VAL  30 -11.893   2.395   2.395
  225    HA   VAL  30           HA       VAL  30 -13.025   3.670   3.670
  226    HB   VAL  30           HB       VAL  30 -12.065   1.479   1.479
  227   1HG1  VAL  30          1HG1      VAL  30 -13.307   4.067   4.067
  228   2HG1  VAL  30          2HG1      VAL  30 -13.938   2.585   2.585
  229   3HG1  VAL  30          3HG1      VAL  30 -12.210   2.988   2.988
  230   1HG2  VAL  30          1HG2      VAL  30 -13.971   1.374   1.374
  231   2HG2  VAL  30          2HG2      VAL  30 -14.195   0.608   0.608
  232   3HG2  VAL  30          3HG2      VAL  30 -14.929   2.194   2.194
  233    H    LYS  31           H        LYS  31 -10.493   2.862   2.862
  234    HA   LYS  31           HA       LYS  31 -10.092   5.362   5.362
  235   1HB   LYS  31          2HB       LYS  31  -8.794   2.832   2.832
  236   2HB   LYS  31          1HB       LYS  31  -7.548   4.036   4.036
  237   1HG   LYS  31          2HG       LYS  31  -7.952   5.108   5.108
  238   2HG   LYS  31          1HG       LYS  31  -9.677   4.808   4.808
  239   1HD   LYS  31          2HD       LYS  31  -9.497   2.878   2.878
  240   2HD   LYS  31          1HD       LYS  31  -8.145   2.304   2.304
  241   1HE   LYS  31          2HE       LYS  31  -6.625   2.995   2.995
  242   2HE   LYS  31          1HE       LYS  31  -7.351   4.586   4.586
  243   1HZ   LYS  31          1HZ       LYS  31  -7.500   3.250   3.250
  244   2HZ   LYS  31          2HZ       LYS  31  -8.961   3.737   3.737
  245    H    LYS  32           H        LYS  32  -8.134   6.844   6.844
  246    HA   LYS  32           HA       LYS  32  -7.227   6.890   6.890
  247   1HB   LYS  32          2HB       LYS  32  -9.345   8.301   8.301
  248   2HB   LYS  32          1HB       LYS  32  -8.363   9.370   9.370
  249   1HG   LYS  32          2HG       LYS  32  -7.037  10.056  10.056
  250   2HG   LYS  32          1HG       LYS  32  -7.286   8.567   8.567
  251   1HD   LYS  32          2HD       LYS  32  -8.500  10.491  10.491
  252   2HD   LYS  32          1HD       LYS  32  -9.593   9.209   9.209
  253   1HE   LYS  32          2HE       LYS  32 -10.226  10.424  10.424
  254   2HE   LYS  32          1HE       LYS  32  -8.994  11.638  11.638
  255   1HZ   LYS  32          1HZ       LYS  32 -11.101  12.468  12.468
  256   2HZ   LYS  32          2HZ       LYS  32 -10.187  12.196  12.196
  257    H    CYS  33           H        CYS  33  -5.224   8.046   8.046
  258    HA   CYS  33           HA       CYS  33  -3.611   7.919   7.919
  259   1HB   CYS  33          2HB       CYS  33  -3.094   7.432   7.432
  260   2HB   CYS  33          1HB       CYS  33  -2.566   9.102   9.102
  261    HA   PRO  34           HA       PRO  34  -4.046  12.155  12.155
  262   1HB   PRO  34          2HB       PRO  34  -1.971  12.458  12.458
  263   2HB   PRO  34          1HB       PRO  34  -3.521  11.781  11.781
  264   1HG   PRO  34          2HG       PRO  34  -0.953  10.389  10.389
  265   2HG   PRO  34          1HG       PRO  34  -2.374   9.820   9.820
  266   1HD   PRO  34          2HD       PRO  34  -1.539   9.068   9.068
  267   2HD   PRO  34          1HD       PRO  34  -3.019   8.590   8.590
  268    H    ARG  35           H        ARG  35  -0.782  11.097  11.097
  269    HA   ARG  35           HA       ARG  35  -0.640  13.057  13.057
  270   1HB   ARG  35          2HB       ARG  35   1.238  14.398  14.398
  271   2HB   ARG  35          1HB       ARG  35  -0.204  14.556  14.556
  272   1HG   ARG  35          2HG       ARG  35   1.303  12.269  12.269
  273   2HG   ARG  35          1HG       ARG  35   2.395  13.632  13.632
  274   1HD   ARG  35          2HD       ARG  35   0.549  15.004  15.004
  275   2HD   ARG  35          1HD       ARG  35  -0.163  13.453  13.453
  276    HE   ARG  35           HE       ARG  35   1.676  12.962  12.962
  277   1HH1  ARG  35          2HH2      ARG  35   2.245  15.975  15.975
  278   2HH1  ARG  35          1HH2      ARG  35   3.590  16.446  16.446
  279    HH2  ARG  35          1HH       ARG  35   4.282  15.025  15.025
  280    H    ASP  36           H        ASP  36   1.132  12.608  12.608
  281    HA   ASP  36           HA       ASP  36   1.983  10.156  10.156
  282   1HB   ASP  36          2HB       ASP  36   3.143  11.140  11.140
  283   2HB   ASP  36          1HB       ASP  36   2.754  12.696  12.696
  284    HD2  ASP  36          2HD       ASP  36   5.714  13.438  13.438
  285    H    GLY  37           H        GLY  37   3.672   8.769   8.769
  286   1HA   GLY  37          1HA       GLY  37   5.636   8.317   8.317
  287   2HA   GLY  37          2HA       GLY  37   5.521   9.858   9.858
  288    H    ALA  38           H        ALA  38   2.517   9.390   9.390
  289    HA   ALA  38           HA       ALA  38   2.516   8.645   8.645
  290   1HB   ALA  38          1HB       ALA  38   0.610   8.984   8.984
  291   2HB   ALA  38          2HB       ALA  38   0.203   7.457   7.457
  292   3HB   ALA  38          3HB       ALA  38   0.317   8.966   8.966
  293    H    LYS  39           H        LYS  39   3.343   6.929   6.929
  294    HA   LYS  39           HA       LYS  39   4.121   4.582   4.582
  295   1HB   LYS  39          2HB       LYS  39   5.172   5.401   5.401
  296   2HB   LYS  39          1HB       LYS  39   3.684   5.177   5.177
  297   1HG   LYS  39          2HG       LYS  39   4.647   2.768   2.768
  298   2HG   LYS  39          1HG       LYS  39   5.677   3.291   3.291
  299   1HD   LYS  39          2HD       LYS  39   3.128   3.469   3.469
  300   2HD   LYS  39          1HD       LYS  39   2.980   2.065   2.065
  301   1HE   LYS  39          2HE       LYS  39   4.111   0.821   0.821
  302   2HE   LYS  39          1HE       LYS  39   5.521   1.840   1.840
  303   1HZ   LYS  39          1HZ       LYS  39   3.860   3.330   3.330
  304   2HZ   LYS  39          2HZ       LYS  39   3.655   1.821   1.821
  305    H    CYS  40           H        CYS  40   3.260   2.429   2.429
  306    HA   CYS  40           HA       CYS  40   0.628   2.081   2.081
  307   1HB   CYS  40          2HB       CYS  40   0.131   1.131   1.131
  308   2HB   CYS  40          1HB       CYS  40  -0.500   2.613   2.613
  309    H    GLU  41           H        GLU  41   0.008  -0.276  -0.276
  310    HA   GLU  41           HA       GLU  41   2.311  -1.937  -1.937
  311   1HB   GLU  41          2HB       GLU  41   1.578  -3.360  -3.360
  312   2HB   GLU  41          1HB       GLU  41   2.455  -1.875  -1.875
  313   1HG   GLU  41          2HG       GLU  41   0.682  -0.924  -0.924
  314   2HG   GLU  41          1HG       GLU  41  -0.442  -1.394  -1.394
  315    HE1  GLU  41          2HE       GLU  41  -0.123  -3.517  -3.517
  316    H    PHE  42           H        PHE  42   1.774  -4.156  -4.156
  317    HA   PHE  42           HA       PHE  42  -1.044  -4.400  -4.400
  318   1HB   PHE  42          2HB       PHE  42   0.526  -4.107  -4.107
  319   2HB   PHE  42          1HB       PHE  42   1.612  -5.313  -5.313
  320    HD1  PHE  42          2HD       PHE  42  -1.562  -4.777  -4.777
  321    HD2  PHE  42          1HD       PHE  42   1.158  -7.673  -7.673
  322    HE1  PHE  42          2HE       PHE  42  -2.712  -6.552  -6.552
  323    HE2  PHE  42          1HE       PHE  42   0.007  -9.448  -9.448
  324    HZ   PHE  42           HZ       PHE  42  -1.914  -8.867  -8.867
  325    H    ASP  43           H        ASP  43  -2.018  -5.811  -5.811
  326    HA   ASP  43           HA       ASP  43  -0.565  -7.727  -7.727
  327   1HB   ASP  43          2HB       ASP  43  -2.965  -6.612  -6.612
  328   2HB   ASP  43          1HB       ASP  43  -3.531  -8.000  -8.000
  329    HD2  ASP  43          2HD       ASP  43  -4.176  -9.411  -9.411
  330    H    SER  44           H        SER  44   0.102  -9.765  -9.765
  331    HA   SER  44           HA       SER  44  -0.904 -10.640 -10.640
  332   1HB   SER  44          2HB       SER  44   1.077 -11.799 -11.799
  333   2HB   SER  44          1HB       SER  44   1.613 -10.594 -10.594
  334    HG   SER  44           HG       SER  44   1.000 -12.205 -12.205
  335    H    TYR  45           H        TYR  45  -2.372 -10.747 -10.747
  336    HA   TYR  45           HA       TYR  45  -2.773 -13.654 -13.654
  337   1HB   TYR  45          2HB       TYR  45  -3.942 -11.638 -11.638
  338   2HB   TYR  45          1HB       TYR  45  -3.292 -13.227 -13.227
  339    HD1  TYR  45           HD1      TYR  45  -0.595 -12.806 -12.806
  340    HD2  TYR  45           HD2      TYR  45  -2.777 -10.427 -10.427
  341    HE1  TYR  45           HE1      TYR  45   1.573 -11.741 -11.741
  342    HE2  TYR  45           HE2      TYR  45  -0.602  -9.369  -9.369
  343    HH   TYR  45           HH       TYR  45   1.537  -9.069  -9.069
  344    H    LYS  46           H        LYS  46  -4.156 -10.645 -10.645
  345    HA   LYS  46           HA       LYS  46  -6.743 -12.006 -12.006
  346   1HB   LYS  46          2HB       LYS  46  -6.378  -9.032  -9.032
  347   2HB   LYS  46          1HB       LYS  46  -7.884  -9.925  -9.925
  348   1HG   LYS  46          2HG       LYS  46  -6.569 -11.316 -11.316
  349   2HG   LYS  46          1HG       LYS  46  -5.898  -9.715  -9.715
  350   1HD   LYS  46          2HD       LYS  46  -8.789  -9.559  -9.559
  351   2HD   LYS  46          1HD       LYS  46  -8.430 -10.657 -10.657
  352   1HE   LYS  46          2HE       LYS  46  -6.736  -8.640  -8.640
  353   2HE   LYS  46          1HE       LYS  46  -7.924  -7.700  -7.700
  354   1HZ   LYS  46          1HZ       LYS  46  -8.190  -8.476  -8.476
  355   2HZ   LYS  46          2HZ       LYS  46  -9.431  -8.000  -8.000
  356    H    GLY  47           H        GLY  47  -4.700  -9.268  -9.268
  357   1HA   GLY  47          1HA       GLY  47  -3.926  -9.447  -9.447
  358   2HA   GLY  47          2HA       GLY  47  -5.488 -10.113 -10.113
  359    H    LYS  48           H        LYS  48  -5.181  -7.465  -7.465
  360    HA   LYS  48           HA       LYS  48  -6.435  -5.703  -5.703
  361   1HB   LYS  48          2HB       LYS  48  -6.793  -6.000  -6.000
  362   2HB   LYS  48          1HB       LYS  48  -7.185  -4.490  -4.490
  363   1HG   LYS  48          2HG       LYS  48  -8.383  -6.347  -6.347
  364   2HG   LYS  48          1HG       LYS  48  -8.584  -7.107  -7.107
  365   1HD   LYS  48          2HD       LYS  48  -9.349  -4.208  -4.208
  366   2HD   LYS  48          1HD       LYS  48 -10.478  -5.545  -5.545
  367   1HE   LYS  48          2HE       LYS  48  -9.143  -4.347  -4.347
  368   2HE   LYS  48          1HE       LYS  48 -10.827  -4.772  -4.772
  369   1HZ   LYS  48          1HZ       LYS  48  -8.855  -6.351  -6.351
  370   2HZ   LYS  48          2HZ       LYS  48 -10.403  -6.772  -6.772
  371    H    CYS  49           H        CYS  49  -5.980  -3.263  -3.263
  372    HA   CYS  49           HA       CYS  49  -3.116  -3.084  -3.084
  373   1HB   CYS  49          2HB       CYS  49  -2.920  -1.285  -1.285
  374   2HB   CYS  49          1HB       CYS  49  -3.566  -2.708  -2.708
  375    H    TYR  50           H        TYR  50  -3.208  -2.431  -2.431
  376    HA   TYR  50           HA       TYR  50  -5.235  -0.663  -0.663
  377   1HB   TYR  50          2HB       TYR  50  -2.590  -1.879  -1.879
  378   2HB   TYR  50          1HB       TYR  50  -3.399  -0.692  -0.692
  379    HD1  TYR  50           HD2      TYR  50  -4.058  -3.935  -3.935
  380    HD2  TYR  50           HD1      TYR  50  -4.993  -1.397  -1.397
  381    HE1  TYR  50           HE2      TYR  50  -5.518  -5.762  -5.762
  382    HE2  TYR  50           HE1      TYR  50  -6.450  -3.234  -3.234
  383    HH   TYR  50           HH       TYR  50  -7.345  -5.183  -5.183
  384    H    CYS  51           H        CYS  51  -5.027   1.178   1.178
  385    HA   CYS  51           HA       CYS  51  -2.559   2.607   2.607
  386   1HB   CYS  51          2HB       CYS  51  -5.093   3.904   3.904
  387   2HB   CYS  51          1HB       CYS  51  -3.496   3.951   3.951

  Start of MODEL   34
    1    H    ALA   1           H        ALA   1   3.628 -11.895 -11.895
    2    HA   ALA   1           HA       ALA   1   5.317 -11.065 -11.065
    3   1HB   ALA   1          1HB       ALA   1   3.781 -13.174 -13.174
    4   2HB   ALA   1          2HB       ALA   1   2.592 -12.210 -12.210
    5   3HB   ALA   1          3HB       ALA   1   4.169 -12.597 -12.597
    6    H    THR   2           H        THR   2   4.149  -8.702  -8.702
    7    HA   THR   2           HA       THR   2   2.462  -7.653  -7.653
    8    HB   THR   2           HB       THR   2   3.105  -6.116  -6.116
    9    HG1  THR   2          1HG       THR   2   2.018  -7.660  -7.660
   10   1HG2  THR   2          3HG2      THR   2   1.143  -5.986  -5.986
   11   2HG2  THR   2          1HG2      THR   2   0.298  -6.709  -6.709
   12   3HG2  THR   2          2HG2      THR   2   1.097  -5.126  -5.126
   13    H    TYR   3           H        TYR   3   3.255  -6.395  -6.395
   14    HA   TYR   3           HA       TYR   3   6.020  -5.530  -5.530
   15   1HB   TYR   3          2HB       TYR   3   4.136  -5.094  -5.094
   16   2HB   TYR   3          1HB       TYR   3   5.859  -5.410  -5.410
   17    HD1  TYR   3           HD1      TYR   3   5.553  -7.816  -7.816
   18    HD2  TYR   3           HD2      TYR   3   3.699  -6.804  -6.804
   19    HE1  TYR   3           HE1      TYR   3   5.087 -10.275 -10.275
   20    HE2  TYR   3           HE2      TYR   3   3.238  -9.267  -9.267
   21    HH   TYR   3           HH       TYR   3   3.213 -11.272 -11.272
   22    H    ASN   4           H        ASN   4   6.584  -3.473  -3.473
   23    HA   ASN   4           HA       ASN   4   4.456  -1.561  -1.561
   24   1HB   ASN   4          2HB       ASN   4   7.422  -1.489  -1.489
   25   2HB   ASN   4          1HB       ASN   4   6.360  -0.113  -0.113
   26   1HD2  ASN   4          2HD2      ASN   4   5.083  -3.492  -3.492
   27   2HD2  ASN   4          1HD2      ASN   4   5.396  -3.482  -3.482
   28    H    GLY   5           H        GLY   5   4.983   0.780   0.780
   29   1HA   GLY   5          1HA       GLY   5   6.926   1.307   1.307
   30   2HA   GLY   5          2HA       GLY   5   5.517   0.705   0.705
   31    H    LYS   6           H        LYS   6   4.771   2.602   2.602
   32    HA   LYS   6           HA       LYS   6   3.655   4.541   4.541
   33   1HB   LYS   6          2HB       LYS   6   5.271   5.496   5.496
   34   2HB   LYS   6          1HB       LYS   6   4.637   6.432   6.432
   35   1HG   LYS   6          2HG       LYS   6   6.184   5.372   5.372
   36   2HG   LYS   6          1HG       LYS   6   6.705   4.217   4.217
   37   1HD   LYS   6          2HD       LYS   6   7.356   6.389   6.389
   38   2HD   LYS   6          1HD       LYS   6   7.313   7.179   7.179
   39   1HE   LYS   6          2HE       LYS   6   8.784   4.949   4.949
   40   2HE   LYS   6          1HE       LYS   6   9.238   5.140   5.140
   41   1HZ   LYS   6          1HZ       LYS   6  10.236   7.160   7.160
   42   2HZ   LYS   6          2HZ       LYS   6   9.270   7.539   7.539
   43    H    CYS   7           H        CYS   7   2.008   5.948   5.948
   44    HA   CYS   7           HA       CYS   7   0.993   4.676   4.676
   45   1HB   CYS   7          2HB       CYS   7  -1.331   5.289   5.289
   46   2HB   CYS   7          1HB       CYS   7  -0.552   3.736   3.736
   47    H    TYR   8           H        TYR   8  -0.350   6.181   6.181
   48    HA   TYR   8           HA       TYR   8   0.275   8.985   8.985
   49   1HB   TYR   8          2HB       TYR   8  -0.195   7.431   7.431
   50   2HB   TYR   8          1HB       TYR   8   0.082   9.160   9.160
   51    HD1  TYR   8           HD2      TYR   8   2.143   8.310   8.310
   52    HD2  TYR   8           HD1      TYR   8   1.797   7.605   7.605
   53    HE1  TYR   8           HE2      TYR   8   4.649   7.912   7.912
   54    HE2  TYR   8           HE1      TYR   8   4.305   7.209   7.209
   55    HH   TYR   8           HH       TYR   8   6.399   8.196   8.196
   56    H    LYS   9           H        LYS   9  -1.332  10.604  10.604
   57    HA   LYS   9           HA       LYS   9  -4.018   9.515   9.515
   58   1HB   LYS   9          2HB       LYS   9  -4.648  11.788  11.788
   59   2HB   LYS   9          1HB       LYS   9  -3.317  11.215  11.215
   60   1HG   LYS   9          2HG       LYS   9  -2.488  13.309  13.309
   61   2HG   LYS   9          1HG       LYS   9  -1.824  12.371  12.371
   62   1HD   LYS   9          2HD       LYS   9  -2.820  14.052  14.052
   63   2HD   LYS   9          1HD       LYS   9  -4.188  12.961  12.961
   64   1HE   LYS   9          2HE       LYS   9  -5.384  14.384  14.384
   65   2HE   LYS   9          1HE       LYS   9  -4.001  14.745  14.745
   66   1HZ   LYS   9          1HZ       LYS   9  -4.610  16.724  16.724
   67   2HZ   LYS   9          2HZ       LYS   9  -3.198  16.221  16.221
   68    H    LYS  10           H        LYS  10  -2.070  11.733  11.733
   69    HA   LYS  10           HA       LYS  10  -4.081  12.348  12.348
   70   1HB   LYS  10          2HB       LYS  10  -1.305  12.807  12.807
   71   2HB   LYS  10          1HB       LYS  10  -1.519  12.128  12.128
   72   1HG   LYS  10          2HG       LYS  10  -3.640  13.888  13.888
   73   2HG   LYS  10          1HG       LYS  10  -2.482  14.729  14.729
   74   1HD   LYS  10          2HD       LYS  10  -1.018  13.749  13.749
   75   2HD   LYS  10          1HD       LYS  10  -2.498  14.439  14.439
   76   1HE   LYS  10          2HE       LYS  10  -2.032  16.594  16.594
   77   2HE   LYS  10          1HE       LYS  10  -0.927  15.977  15.977
   78   1HZ   LYS  10          1HZ       LYS  10  -0.268  15.652  15.652
   79   2HZ   LYS  10          2HZ       LYS  10   0.042  17.069  17.069
   80    H    ASP  11           H        ASP  11  -2.279   9.369   9.369
   81    HA   ASP  11           HA       ASP  11  -3.454   8.346   8.346
   82   1HB   ASP  11          2HB       ASP  11  -0.821   8.108   8.108
   83   2HB   ASP  11          1HB       ASP  11  -1.550   6.515   6.515
   84    HD2  ASP  11          2HD       ASP  11   0.414   7.952   7.952
   85    H    ASN  12           H        ASN  12  -3.588   8.412   8.412
   86    HA   ASN  12           HA       ASN  12  -4.439   7.137   7.137
   87   1HB   ASN  12          2HB       ASN  12  -6.433   7.830   7.830
   88   2HB   ASN  12          1HB       ASN  12  -6.491   6.115   6.115
   89   1HD2  ASN  12          2HD2      ASN  12  -8.746   5.794   5.794
   90   2HD2  ASN  12          1HD2      ASN  12  -8.439   5.734   5.734
   91    H    ILE  13           H        ILE  13  -2.331   5.717   5.717
   92    HA   ILE  13           HA       ILE  13  -3.320   2.986   2.986
   93    HB   ILE  13           HB       ILE  13  -1.371   2.477   2.477
   94   1HG1  ILE  13          2HG1      ILE  13  -0.465   4.588   4.588
   95   2HG1  ILE  13          3HG1      ILE  13  -0.967   5.453   5.453
   96   1HG2  ILE  13          1HG2      ILE  13  -3.835   3.668   3.668
   97   2HG2  ILE  13          2HG2      ILE  13  -2.611   4.389   4.389
   98   3HG2  ILE  13          3HG2      ILE  13  -2.804   2.621   2.621
   99   1HD1  ILE  13          2HD1      ILE  13   0.433   3.026   3.026
  100   2HD1  ILE  13          3HD1      ILE  13   1.424   3.960   3.960
  101   3HD1  ILE  13          1HD1      ILE  13   0.848   4.720   4.720
  102    H    CYS  14           H        CYS  14  -1.150   1.497   1.497
  103    HA   CYS  14           HA       CYS  14   0.199   2.683   2.683
  104   1HB   CYS  14          2HB       CYS  14  -1.481   1.456   1.456
  105   2HB   CYS  14          1HB       CYS  14  -1.380   0.125   0.125
  106    H    LYS  15           H        LYS  15   2.285   2.769   2.769
  107    HA   LYS  15           HA       LYS  15   3.198   0.509   0.509
  108   1HB   LYS  15          2HB       LYS  15   4.946   1.956   1.956
  109   2HB   LYS  15          1HB       LYS  15   3.424   2.814   2.814
  110   1HG   LYS  15          2HG       LYS  15   3.905   3.933   3.933
  111   2HG   LYS  15          1HG       LYS  15   5.463   3.131   3.131
  112   1HD   LYS  15          2HD       LYS  15   4.497   5.161   5.161
  113   2HD   LYS  15          1HD       LYS  15   5.774   5.386   5.386
  114   1HE   LYS  15          2HE       LYS  15   6.709   3.143   3.143
  115   2HE   LYS  15          1HE       LYS  15   5.821   3.881   3.881
  116   1HZ   LYS  15          1HZ       LYS  15   7.547   5.657   5.657
  117   2HZ   LYS  15          2HZ       LYS  15   8.302   4.584   4.584
  118    H    TYR  16           H        TYR  16   4.590  -0.999  -0.999
  119    HA   TYR  16           HA       TYR  16   6.323  -0.340  -0.340
  120   1HB   TYR  16          2HB       TYR  16   5.297  -2.350  -2.350
  121   2HB   TYR  16          1HB       TYR  16   4.277  -0.926  -0.926
  122    HD1  TYR  16           HD1      TYR  16   2.640  -0.868  -0.868
  123    HD2  TYR  16           HD2      TYR  16   4.321  -4.401  -4.401
  124    HE1  TYR  16           HE1      TYR  16   0.770  -2.263  -2.263
  125    HE2  TYR  16           HE2      TYR  16   2.446  -5.783  -5.783
  126    HH   TYR  16           HH       TYR  16  -0.324  -4.313  -4.313
  127    H    LYS  17           H        LYS  17   7.516  -2.516  -2.516
  128    HA   LYS  17           HA       LYS  17   8.172  -3.851  -3.851
  129   1HB   LYS  17          2HB       LYS  17   9.783  -2.549  -2.549
  130   2HB   LYS  17          1HB       LYS  17  10.047  -4.251  -4.251
  131   1HG   LYS  17          2HG       LYS  17  10.111  -3.142  -3.142
  132   2HG   LYS  17          1HG       LYS  17  11.533  -3.111  -3.111
  133   1HD   LYS  17          2HD       LYS  17  11.777  -5.435  -5.435
  134   2HD   LYS  17          1HD       LYS  17  10.061  -5.727  -5.727
  135   1HE   LYS  17          2HE       LYS  17  10.201  -5.698  -5.698
  136   2HE   LYS  17          1HE       LYS  17  11.235  -4.283  -4.283
  137   1HZ   LYS  17          1HZ       LYS  17  11.994  -7.049  -7.049
  138   2HZ   LYS  17          2HZ       LYS  17  12.857  -5.735  -5.735
  139    H    ALA  18           H        ALA  18   6.807  -5.593  -5.593
  140    HA   ALA  18           HA       ALA  18   5.667  -7.008  -7.008
  141   1HB   ALA  18          3HB       ALA  18   5.673  -7.121  -7.121
  142   2HB   ALA  18          1HB       ALA  18   6.622  -8.581  -8.581
  143   3HB   ALA  18          2HB       ALA  18   4.980  -8.396  -8.396
  144    H    GLN  19           H        GLN  19   6.168  -9.347  -9.347
  145    HA   GLN  19           HA       GLN  19   8.554  -9.343  -9.343
  146   1HB   GLN  19          2HB       GLN  19   6.699 -10.681 -10.681
  147   2HB   GLN  19          1HB       GLN  19   6.628 -11.583 -11.583
  148   1HG   GLN  19          2HG       GLN  19   9.253 -11.653 -11.653
  149   2HG   GLN  19          1HG       GLN  19   7.923 -12.480 -12.480
  150   1HE2  GLN  19          2HE2      GLN  19   7.346 -14.782 -14.782
  151   2HE2  GLN  19          1HE2      GLN  19   6.485 -13.711 -13.711
  152    H    SER  20           H        SER  20   7.676 -10.610 -10.610
  153    HA   SER  20           HA       SER  20  10.430 -11.534 -11.534
  154   1HB   SER  20          2HB       SER  20   9.223 -12.678 -12.678
  155   2HB   SER  20          1HB       SER  20   9.304 -13.450 -13.450
  156    HG   SER  20           HG       SER  20   7.125 -13.349 -13.349
  157    H    GLY  21           H        GLY  21   8.520  -8.903  -8.903
  158   1HA   GLY  21          1HA       GLY  21   8.911  -7.076  -7.076
  159   2HA   GLY  21          2HA       GLY  21  10.240  -7.906  -7.906
  160    H    LYS  22           H        LYS  22   7.610 -10.018 -10.018
  161    HA   LYS  22           HA       LYS  22   7.315  -9.762  -9.762
  162   1HB   LYS  22          2HB       LYS  22   6.881 -11.750 -11.750
  163   2HB   LYS  22          1HB       LYS  22   5.249 -11.114 -11.114
  164   1HG   LYS  22          2HG       LYS  22   6.598 -11.482 -11.482
  165   2HG   LYS  22          1HG       LYS  22   6.047 -12.916 -12.916
  166   1HD   LYS  22          2HD       LYS  22   3.814 -12.396 -12.396
  167   2HD   LYS  22          1HD       LYS  22   4.076 -10.675 -10.675
  168   1HE   LYS  22          2HE       LYS  22   4.357 -10.320 -10.320
  169   2HE   LYS  22          1HE       LYS  22   5.323 -11.767 -11.767
  170   1HZ   LYS  22          1HZ       LYS  22   3.171 -11.963 -11.963
  171   2HZ   LYS  22          2HZ       LYS  22   3.267 -13.081 -13.081
  172    H    THR  23           H        THR  23   5.483  -8.470  -8.470
  173    HA   THR  23           HA       THR  23   3.432  -7.380  -7.380
  174    HB   THR  23           HB       THR  23   3.703  -8.127  -8.127
  175    HG1  THR  23          1HG       THR  23   1.454  -7.106  -7.106
  176   1HG2  THR  23          2HG2      THR  23   4.551  -5.538  -5.538
  177   2HG2  THR  23          3HG2      THR  23   2.794  -5.260  -5.260
  178   3HG2  THR  23          1HG2      THR  23   3.505  -6.228  -6.228
  179    H    ALA  24           H        ALA  24   2.922  -4.874  -4.874
  180    HA   ALA  24           HA       ALA  24   4.834  -3.061  -3.061
  181   1HB   ALA  24          3HB       ALA  24   5.031  -4.146  -4.146
  182   2HB   ALA  24          1HB       ALA  24   5.303  -2.407  -2.407
  183   3HB   ALA  24          2HB       ALA  24   6.318  -3.603  -3.603
  184    H    ILE  25           H        ILE  25   3.518  -1.392  -1.392
  185    HA   ILE  25           HA       ILE  25   1.845   0.046   0.046
  186    HB   ILE  25           HB       ILE  25   1.699  -0.433  -0.433
  187   1HG1  ILE  25          2HG1      ILE  25   3.768   1.009   1.009
  188   2HG1  ILE  25          3HG1      ILE  25   3.990  -0.103  -0.103
  189   1HG2  ILE  25          1HG2      ILE  25  -0.096   0.940   0.940
  190   2HG2  ILE  25          2HG2      ILE  25   1.095   1.999   1.999
  191   3HG2  ILE  25          3HG2      ILE  25   1.016   1.921   1.921
  192   1HD1  ILE  25          1HD1      ILE  25   2.941   1.599   1.599
  193   2HD1  ILE  25          2HD1      ILE  25   2.874   2.733   2.733
  194   3HD1  ILE  25          3HD1      ILE  25   4.447   2.166   2.166
  195    H    CYS  26           H        CYS  26  -0.353   0.017   0.017
  196    HA   CYS  26           HA       CYS  26  -1.996  -1.971  -1.971
  197   1HB   CYS  26          2HB       CYS  26  -1.064  -3.397  -3.397
  198   2HB   CYS  26          1HB       CYS  26  -1.251  -2.190  -2.190
  199    H    LYS  27           H        LYS  27  -3.734  -0.684  -0.684
  200    HA   LYS  27           HA       LYS  27  -4.315   1.770   1.770
  201   1HB   LYS  27          2HB       LYS  27  -6.511  -0.298  -0.298
  202   2HB   LYS  27          1HB       LYS  27  -6.575   1.397   1.397
  203   1HG   LYS  27          2HG       LYS  27  -4.533   0.716   0.716
  204   2HG   LYS  27          1HG       LYS  27  -5.222  -0.887  -0.887
  205   1HD   LYS  27          2HD       LYS  27  -7.514   0.370   0.370
  206   2HD   LYS  27          1HD       LYS  27  -6.453   1.585   1.585
  207   1HE   LYS  27          2HE       LYS  27  -5.359  -0.198  -0.198
  208   2HE   LYS  27          1HE       LYS  27  -6.484  -1.375  -1.375
  209   1HZ   LYS  27          1HZ       LYS  27  -8.193   0.482   0.482
  210   2HZ   LYS  27          2HZ       LYS  27  -6.996   0.760   0.760
  211    H    CYS  28           H        CYS  28  -5.242   2.931   2.931
  212    HA   CYS  28           HA       CYS  28  -4.927   1.799   1.799
  213   1HB   CYS  28          2HB       CYS  28  -5.484   4.387   4.387
  214   2HB   CYS  28          1HB       CYS  28  -6.560   4.093   4.093
  215    H    TYR  29           H        TYR  29  -7.235   2.733   2.733
  216    HA   TYR  29           HA       TYR  29  -9.366   1.068   1.068
  217   1HB   TYR  29          2HB       TYR  29  -7.741   0.776   0.776
  218   2HB   TYR  29          1HB       TYR  29  -9.322   1.284   1.284
  219    HD1  TYR  29           HD2      TYR  29  -7.837  -1.185  -1.185
  220    HD2  TYR  29           HD1      TYR  29 -10.869  -0.372  -0.372
  221    HE1  TYR  29           HE2      TYR  29  -8.684  -3.573  -3.573
  222    HE2  TYR  29           HE1      TYR  29 -11.705  -2.764  -2.764
  223    HH   TYR  29           HH       TYR  29 -10.666  -4.815  -4.815
  224    H    VAL  30           H        VAL  30 -11.189   1.562   1.562
  225    HA   VAL  30           HA       VAL  30 -12.597   3.670   3.670
  226    HB   VAL  30           HB       VAL  30 -13.198   3.827   3.827
  227   1HG1  VAL  30          1HG1      VAL  30 -13.830   1.682   1.682
  228   2HG1  VAL  30          2HG1      VAL  30 -14.542   1.632   1.632
  229   3HG1  VAL  30          3HG1      VAL  30 -14.841   3.031   3.031
  230   1HG2  VAL  30          2HG2      VAL  30 -11.022   2.154   2.154
  231   2HG2  VAL  30          3HG2      VAL  30 -12.321   2.279   2.279
  232   3HG2  VAL  30          1HG2      VAL  30 -12.379   1.003   1.003
  233    H    LYS  31           H        LYS  31 -10.686   4.024   4.024
  234    HA   LYS  31           HA       LYS  31 -10.636   6.813   6.813
  235   1HB   LYS  31          2HB       LYS  31  -9.519   4.726   4.726
  236   2HB   LYS  31          1HB       LYS  31  -8.541   6.177   6.177
  237   1HG   LYS  31          2HG       LYS  31 -10.981   7.346   7.346
  238   2HG   LYS  31          1HG       LYS  31 -11.333   5.829   5.829
  239   1HD   LYS  31          2HD       LYS  31  -9.115   6.253   6.253
  240   2HD   LYS  31          1HD       LYS  31  -9.235   7.899   7.899
  241   1HE   LYS  31          2HE       LYS  31 -11.359   8.249   8.249
  242   2HE   LYS  31          1HE       LYS  31 -11.570   6.536   6.536
  243   1HZ   LYS  31          1HZ       LYS  31 -10.635   7.004   7.004
  244   2HZ   LYS  31          2HZ       LYS  31  -9.201   7.089   7.089
  245    H    LYS  32           H        LYS  32  -9.918   7.522   7.522
  246    HA   LYS  32           HA       LYS  32  -7.793   6.565   6.565
  247   1HB   LYS  32          2HB       LYS  32  -8.511   9.498   9.498
  248   2HB   LYS  32          1HB       LYS  32  -7.844   8.617   8.617
  249   1HG   LYS  32          2HG       LYS  32 -10.043   7.132   7.132
  250   2HG   LYS  32          1HG       LYS  32 -10.656   8.530   8.530
  251   1HD   LYS  32          2HD       LYS  32  -9.685   8.396   8.396
  252   2HD   LYS  32          1HD       LYS  32 -11.286   8.819   8.819
  253   1HE   LYS  32          2HE       LYS  32  -9.946  10.763  10.763
  254   2HE   LYS  32          1HE       LYS  32  -8.761  10.475  10.475
  255   1HZ   LYS  32          1HZ       LYS  32 -10.059  11.662  11.662
  256   2HZ   LYS  32          2HZ       LYS  32 -11.271  10.584  10.584
  257    H    CYS  33           H        CYS  33  -5.683   7.988   7.988
  258    HA   CYS  33           HA       CYS  33  -4.224   7.791   7.791
  259   1HB   CYS  33          2HB       CYS  33  -3.553   7.467   7.467
  260   2HB   CYS  33          1HB       CYS  33  -3.053   9.136   9.136
  261    HA   PRO  34           HA       PRO  34  -4.715  11.957  11.957
  262   1HB   PRO  34          2HB       PRO  34  -2.672  12.193  12.193
  263   2HB   PRO  34          1HB       PRO  34  -4.215  11.460  11.460
  264   1HG   PRO  34          2HG       PRO  34  -1.612  10.149  10.149
  265   2HG   PRO  34          1HG       PRO  34  -3.034   9.501   9.501
  266   1HD   PRO  34          2HD       PRO  34  -2.146   8.927   8.927
  267   2HD   PRO  34          1HD       PRO  34  -3.627   8.372   8.372
  268    H    ARG  35           H        ARG  35  -1.423  11.009  11.009
  269    HA   ARG  35           HA       ARG  35  -1.282  13.054  13.054
  270   1HB   ARG  35          2HB       ARG  35   0.518  14.430  14.430
  271   2HB   ARG  35          1HB       ARG  35  -0.978  14.519  14.519
  272   1HG   ARG  35          2HG       ARG  35   0.250  12.327  12.327
  273   2HG   ARG  35          1HG       ARG  35   1.634  13.324  13.324
  274   1HD   ARG  35          2HD       ARG  35  -0.621  13.890  13.890
  275   2HD   ARG  35          1HD       ARG  35   1.093  14.202  14.202
  276    HE   ARG  35           HE       ARG  35   0.495  15.929  15.929
  277   1HH1  ARG  35          2HH2      ARG  35  -1.192  15.295  15.295
  278   2HH1  ARG  35          1HH2      ARG  35  -1.829  16.900  16.900
  279    HH2  ARG  35          1HH       ARG  35  -1.319  18.502  18.502
  280    H    ASP  36           H        ASP  36   0.438  12.608  12.608
  281    HA   ASP  36           HA       ASP  36   1.452  10.210  10.210
  282   1HB   ASP  36          2HB       ASP  36   2.014  11.634  11.634
  283   2HB   ASP  36          1HB       ASP  36   2.524  12.928  12.928
  284    HD2  ASP  36          2HD       ASP  36   3.503  10.513  10.513
  285    H    GLY  37           H        GLY  37   3.024   8.903   8.903
  286   1HA   GLY  37          1HA       GLY  37   5.140   8.687   8.687
  287   2HA   GLY  37          2HA       GLY  37   4.877  10.216  10.216
  288    H    ALA  38           H        ALA  38   1.937   9.505   9.505
  289    HA   ALA  38           HA       ALA  38   1.998   8.761   8.761
  290   1HB   ALA  38          2HB       ALA  38   0.065   9.086   9.086
  291   2HB   ALA  38          3HB       ALA  38  -0.181   7.407   7.407
  292   3HB   ALA  38          1HB       ALA  38  -0.247   8.739   8.739
  293    H    LYS  39           H        LYS  39   2.812   7.080   7.080
  294    HA   LYS  39           HA       LYS  39   3.821   4.805   4.805
  295   1HB   LYS  39          2HB       LYS  39   4.770   5.778   5.778
  296   2HB   LYS  39          1HB       LYS  39   3.337   5.296   5.296
  297   1HG   LYS  39          2HG       LYS  39   4.567   3.094   3.094
  298   2HG   LYS  39          1HG       LYS  39   5.614   3.738   3.738
  299   1HD   LYS  39          2HD       LYS  39   2.781   2.668   2.668
  300   2HD   LYS  39          1HD       LYS  39   4.263   1.900   1.900
  301   1HE   LYS  39          2HE       LYS  39   3.952   2.983   2.983
  302   2HE   LYS  39          1HE       LYS  39   4.475   4.434   4.434
  303   1HZ   LYS  39          1HZ       LYS  39   2.368   5.230   5.230
  304   2HZ   LYS  39          2HZ       LYS  39   1.688   3.807   3.807
  305    H    CYS  40           H        CYS  40   3.134   2.576   2.576
  306    HA   CYS  40           HA       CYS  40   0.503   2.093   2.093
  307   1HB   CYS  40          2HB       CYS  40  -0.128   1.029   1.029
  308   2HB   CYS  40          1HB       CYS  40  -0.428   2.726   2.726
  309    H    GLU  41           H        GLU  41  -0.011  -0.405  -0.405
  310    HA   GLU  41           HA       GLU  41   2.443  -1.883  -1.883
  311   1HB   GLU  41          2HB       GLU  41   1.404  -3.293  -3.293
  312   2HB   GLU  41          1HB       GLU  41   2.642  -2.066  -2.066
  313   1HG   GLU  41          2HG       GLU  41  -0.330  -1.396  -1.396
  314   2HG   GLU  41          1HG       GLU  41   0.571  -1.864  -1.864
  315    HE1  GLU  41          2HE       GLU  41   2.841   0.695   0.695
  316    H    PHE  42           H        PHE  42   2.118  -3.820  -3.820
  317    HA   PHE  42           HA       PHE  42  -0.633  -4.325  -4.325
  318   1HB   PHE  42          2HB       PHE  42   1.164  -4.109  -4.109
  319   2HB   PHE  42          1HB       PHE  42   2.147  -5.296  -5.296
  320    HD1  PHE  42          1HD       PHE  42   1.602  -7.676  -7.676
  321    HD2  PHE  42          2HD       PHE  42  -0.702  -4.789  -4.789
  322    HE1  PHE  42          1HE       PHE  42   0.592  -9.497  -9.497
  323    HE2  PHE  42          2HE       PHE  42  -1.712  -6.610  -6.610
  324    HZ   PHE  42           HZ       PHE  42  -1.053  -8.942  -8.942
  325    H    ASP  43           H        ASP  43  -1.751  -5.668  -5.668
  326    HA   ASP  43           HA       ASP  43  -0.365  -7.587  -7.587
  327   1HB   ASP  43          2HB       ASP  43  -2.736  -6.266  -6.266
  328   2HB   ASP  43          1HB       ASP  43  -3.337  -7.770  -7.770
  329    HD1  ASP  43          2HD       ASP  43  -1.319  -9.052  -9.052
  330    H    SER  44           H        SER  44  -0.247  -9.858  -9.858
  331    HA   SER  44           HA       SER  44  -1.153 -10.652 -10.652
  332   1HB   SER  44          2HB       SER  44   0.629 -12.108 -12.108
  333   2HB   SER  44          1HB       SER  44   1.277 -10.977 -10.977
  334    HG   SER  44           HG       SER  44   1.098 -13.510 -13.510
  335    H    TYR  45           H        TYR  45  -2.112 -10.765 -10.765
  336    HA   TYR  45           HA       TYR  45  -3.076 -13.398 -13.398
  337   1HB   TYR  45          2HB       TYR  45  -4.015 -12.479 -12.479
  338   2HB   TYR  45          1HB       TYR  45  -2.682 -11.384 -11.384
  339    HD1  TYR  45           HD1      TYR  45  -3.779  -9.682  -9.682
  340    HD2  TYR  45           HD2      TYR  45  -5.641 -11.180 -11.180
  341    HE1  TYR  45           HE1      TYR  45  -5.399  -7.722  -7.722
  342    HE2  TYR  45           HE2      TYR  45  -7.254  -9.215  -9.215
  343    HH   TYR  45           HH       TYR  45  -8.108  -7.618  -7.618
  344    H    LYS  46           H        LYS  46  -4.050 -10.813 -10.813
  345    HA   LYS  46           HA       LYS  46  -6.453 -12.270 -12.270
  346   1HB   LYS  46          2HB       LYS  46  -6.524  -9.422  -9.422
  347   2HB   LYS  46          1HB       LYS  46  -7.811 -10.130 -10.130
  348   1HG   LYS  46          2HG       LYS  46  -7.634 -12.098 -12.098
  349   2HG   LYS  46          1HG       LYS  46  -6.908 -10.842 -10.842
  350   1HD   LYS  46          2HD       LYS  46  -8.929  -9.378  -9.378
  351   2HD   LYS  46          1HD       LYS  46  -9.660 -10.732 -10.732
  352   1HE   LYS  46          2HE       LYS  46  -8.801 -11.780 -11.780
  353   2HE   LYS  46          1HE       LYS  46  -9.499 -10.216 -10.216
  354   1HZ   LYS  46          1HZ       LYS  46 -11.412 -11.021 -11.021
  355   2HZ   LYS  46          2HZ       LYS  46 -10.814 -12.518 -12.518
  356    H    GLY  47           H        GLY  47  -4.589  -9.197  -9.197
  357   1HA   GLY  47          1HA       GLY  47  -3.319  -9.068  -9.068
  358   2HA   GLY  47          2HA       GLY  47  -4.665  -9.832  -9.832
  359    H    LYS  48           H        LYS  48  -5.005  -7.352  -7.352
  360    HA   LYS  48           HA       LYS  48  -6.494  -5.723  -5.723
  361   1HB   LYS  48          2HB       LYS  48  -6.668  -6.299  -6.299
  362   2HB   LYS  48          1HB       LYS  48  -6.227  -4.607  -4.607
  363   1HG   LYS  48          2HG       LYS  48  -8.116  -4.614  -4.614
  364   2HG   LYS  48          1HG       LYS  48  -8.700  -5.991  -5.991
  365   1HD   LYS  48          2HD       LYS  48  -8.034  -3.957  -3.957
  366   2HD   LYS  48          1HD       LYS  48  -8.934  -3.169  -3.169
  367   1HE   LYS  48          2HE       LYS  48 -10.727  -3.909  -3.909
  368   2HE   LYS  48          1HE       LYS  48 -10.521  -5.330  -5.330
  369   1HZ   LYS  48          1HZ       LYS  48  -8.960  -5.191  -5.191
  370   2HZ   LYS  48          2HZ       LYS  48 -10.549  -5.521  -5.521
  371    H    CYS  49           H        CYS  49  -5.889  -3.186  -3.186
  372    HA   CYS  49           HA       CYS  49  -3.069  -2.807  -2.807
  373   1HB   CYS  49          2HB       CYS  49  -3.457  -2.431  -2.431
  374   2HB   CYS  49          1HB       CYS  49  -5.112  -1.909  -1.909
  375    H    TYR  50           H        TYR  50  -3.202  -2.278  -2.278
  376    HA   TYR  50           HA       TYR  50  -5.046  -0.392  -0.392
  377   1HB   TYR  50          2HB       TYR  50  -2.337  -1.589  -1.589
  378   2HB   TYR  50          1HB       TYR  50  -3.096  -0.392  -0.392
  379    HD1  TYR  50           HD2      TYR  50  -3.760  -3.702  -3.702
  380    HD2  TYR  50           HD1      TYR  50  -4.645  -1.058  -1.058
  381    HE1  TYR  50           HE2      TYR  50  -5.131  -5.526  -5.526
  382    HE2  TYR  50           HE1      TYR  50  -6.013  -2.890  -2.890
  383    HH   TYR  50           HH       TYR  50  -5.915  -6.140  -6.140
  384    H    CYS  51           H        CYS  51  -4.926   1.395   1.395
  385    HA   CYS  51           HA       CYS  51  -2.446   2.782   2.782
  386   1HB   CYS  51          2HB       CYS  51  -5.022   4.082   4.082
  387   2HB   CYS  51          1HB       CYS  51  -3.479   4.088   4.088

  Start of MODEL   35
    1    H    ALA   1           H        ALA   1   3.281 -12.032 -12.032
    2    HA   ALA   1           HA       ALA   1   4.585 -11.116 -11.116
    3   1HB   ALA   1          1HB       ALA   1   2.491 -12.983 -12.983
    4   2HB   ALA   1          2HB       ALA   1   2.898 -11.948 -11.948
    5   3HB   ALA   1          3HB       ALA   1   4.171 -12.894 -12.894
    6    H    THR   2           H        THR   2   3.367  -8.880  -8.880
    7    HA   THR   2           HA       THR   2   1.877  -7.569  -7.569
    8    HB   THR   2           HB       THR   2   2.940  -6.062  -6.062
    9    HG1  THR   2          1HG       THR   2   1.980  -7.494  -7.494
   10   1HG2  THR   2          3HG2      THR   2   0.719  -5.886  -5.886
   11   2HG2  THR   2          1HG2      THR   2   0.039  -6.479  -6.479
   12   3HG2  THR   2          2HG2      THR   2   0.954  -4.952  -4.952
   13    H    TYR   3           H        TYR   3   2.564  -5.992  -5.992
   14    HA   TYR   3           HA       TYR   3   5.480  -5.622  -5.622
   15   1HB   TYR   3          2HB       TYR   3   3.389  -5.178  -5.178
   16   2HB   TYR   3          1HB       TYR   3   5.114  -5.394  -5.394
   17    HD1  TYR   3           HD1      TYR   3   5.792  -7.786  -7.786
   18    HD2  TYR   3           HD2      TYR   3   2.252  -6.934  -6.934
   19    HE1  TYR   3           HE1      TYR   3   5.425 -10.273 -10.273
   20    HE2  TYR   3           HE2      TYR   3   1.898  -9.424  -9.424
   21    HH   TYR   3           HH       TYR   3   3.894 -11.793 -11.793
   22    H    ASN   4           H        ASN   4   6.172  -3.653  -3.653
   23    HA   ASN   4           HA       ASN   4   4.256  -1.523  -1.523
   24   1HB   ASN   4          2HB       ASN   4   7.132  -1.863  -1.863
   25   2HB   ASN   4          1HB       ASN   4   6.360  -0.290  -0.290
   26   1HD2  ASN   4          2HD2      ASN   4   4.676  -3.346  -3.346
   27   2HD2  ASN   4          1HD2      ASN   4   5.330  -3.636  -3.636
   28    H    GLY   5           H        GLY   5   4.862   0.678   0.678
   29   1HA   GLY   5          1HA       GLY   5   7.011   1.045   1.045
   30   2HA   GLY   5          2HA       GLY   5   5.622   0.515   0.515
   31    H    LYS   6           H        LYS   6   4.681   2.269   2.269
   32    HA   LYS   6           HA       LYS   6   3.900   4.454   4.454
   33   1HB   LYS   6          2HB       LYS   6   5.463   4.887   4.887
   34   2HB   LYS   6          1HB       LYS   6   4.723   6.144   6.144
   35   1HG   LYS   6          2HG       LYS   6   6.158   5.598   5.598
   36   2HG   LYS   6          1HG       LYS   6   6.801   4.192   4.192
   37   1HD   LYS   6          2HD       LYS   6   7.585   5.854   5.854
   38   2HD   LYS   6          1HD       LYS   6   7.244   7.123   7.123
   39   1HE   LYS   6          2HE       LYS   6   9.218   6.739   6.739
   40   2HE   LYS   6          1HE       LYS   6   8.757   5.078   5.078
   41   1HZ   LYS   6          1HZ       LYS   6  10.215   6.119   6.119
   42   2HZ   LYS   6          2HZ       LYS   6  10.661   4.920   4.920
   43    H    CYS   7           H        CYS   7   2.343   5.974   5.974
   44    HA   CYS   7           HA       CYS   7   0.934   4.476   4.476
   45   1HB   CYS   7          2HB       CYS   7  -1.235   5.242   5.242
   46   2HB   CYS   7          1HB       CYS   7  -0.425   3.764   3.764
   47    H    TYR   8           H        TYR   8  -0.494   5.935   5.935
   48    HA   TYR   8           HA       TYR   8   0.333   8.746   8.746
   49   1HB   TYR   8          2HB       TYR   8  -0.448   7.011   7.011
   50   2HB   TYR   8          1HB       TYR   8  -0.013   8.705   8.705
   51    HD1  TYR   8           HD1      TYR   8   2.373   9.105   9.105
   52    HD2  TYR   8           HD2      TYR   8   1.197   5.618   5.618
   53    HE1  TYR   8           HE1      TYR   8   4.813   8.453   8.453
   54    HE2  TYR   8           HE2      TYR   8   3.642   4.978   4.978
   55    HH   TYR   8           HH       TYR   8   6.157   7.146   7.146
   56    H    LYS   9           H        LYS   9  -1.271  10.201  10.201
   57    HA   LYS   9           HA       LYS   9  -3.928   9.325   9.325
   58   1HB   LYS   9          2HB       LYS   9  -4.411  11.678  11.678
   59   2HB   LYS   9          1HB       LYS   9  -2.996  11.132  11.132
   60   1HG   LYS   9          2HG       LYS   9  -2.158  13.122  13.122
   61   2HG   LYS   9          1HG       LYS   9  -1.696  12.042  12.042
   62   1HD   LYS   9          2HD       LYS   9  -2.768  13.654  13.654
   63   2HD   LYS   9          1HD       LYS   9  -4.156  12.647  12.647
   64   1HE   LYS   9          2HE       LYS   9  -5.090  14.195  14.195
   65   2HE   LYS   9          1HE       LYS   9  -3.539  14.694  14.694
   66   1HZ   LYS   9          1HZ       LYS   9  -4.234  16.511  16.511
   67   2HZ   LYS   9          2HZ       LYS   9  -3.216  15.765  15.765
   68    H    LYS  10           H        LYS  10  -2.220  11.285  11.285
   69    HA   LYS  10           HA       LYS  10  -4.396  11.851  11.851
   70   1HB   LYS  10          2HB       LYS  10  -1.827  12.496  12.496
   71   2HB   LYS  10          1HB       LYS  10  -1.765  11.178  11.178
   72   1HG   LYS  10          2HG       LYS  10  -3.082  12.283  12.283
   73   2HG   LYS  10          1HG       LYS  10  -4.037  13.103  13.103
   74   1HD   LYS  10          2HD       LYS  10  -1.427  14.137  14.137
   75   2HD   LYS  10          1HD       LYS  10  -1.618  14.021  14.021
   76   1HE   LYS  10          2HE       LYS  10  -3.671  15.341  15.341
   77   2HE   LYS  10          1HE       LYS  10  -2.404  16.224  16.224
   78   1HZ   LYS  10          1HZ       LYS  10  -4.225  14.485  14.485
   79   2HZ   LYS  10          2HZ       LYS  10  -4.686  15.996  15.996
   80    H    ASP  11           H        ASP  11  -2.109   9.047   9.047
   81    HA   ASP  11           HA       ASP  11  -3.893   7.839   7.839
   82   1HB   ASP  11          2HB       ASP  11  -1.195   7.366   7.366
   83   2HB   ASP  11          1HB       ASP  11  -2.089   5.870   5.870
   84    HD1  ASP  11          2HD       ASP  11  -2.695   7.888   7.888
   85    H    ASN  12           H        ASN  12  -3.937   8.242   8.242
   86    HA   ASN  12           HA       ASN  12  -4.651   7.098   7.098
   87   1HB   ASN  12          2HB       ASN  12  -6.804   7.776   7.776
   88   2HB   ASN  12          1HB       ASN  12  -6.758   6.668   6.668
   89   1HD2  ASN  12          2HD2      ASN  12  -7.524   5.224   5.224
   90   2HD2  ASN  12          1HD2      ASN  12  -6.499   6.595   6.595
   91    H    ILE  13           H        ILE  13  -2.638   5.543   5.543
   92    HA   ILE  13           HA       ILE  13  -3.739   2.838   2.838
   93    HB   ILE  13           HB       ILE  13  -1.983   2.110   2.110
   94   1HG1  ILE  13          2HG1      ILE  13  -1.109   4.039   4.039
   95   2HG1  ILE  13          3HG1      ILE  13  -1.435   5.068   5.068
   96   1HG2  ILE  13          3HG2      ILE  13  -4.444   3.398   3.398
   97   2HG2  ILE  13          1HG2      ILE  13  -3.297   3.903   3.903
   98   3HG2  ILE  13          2HG2      ILE  13  -3.596   2.173   2.173
   99   1HD1  ILE  13          2HD1      ILE  13  -0.044   2.611   2.611
  100   2HD1  ILE  13          3HD1      ILE  13   0.874   3.526   3.526
  101   3HD1  ILE  13          1HD1      ILE  13   0.393   4.309   4.309
  102    H    CYS  14           H        CYS  14  -1.618   1.295   1.295
  103    HA   CYS  14           HA       CYS  14  -0.005   2.639   2.639
  104   1HB   CYS  14          2HB       CYS  14  -1.492   1.559   1.559
  105   2HB   CYS  14          1HB       CYS  14  -1.710   0.203   0.203
  106    H    LYS  15           H        LYS  15   2.095   2.487   2.487
  107    HA   LYS  15           HA       LYS  15   2.771   0.261   0.261
  108   1HB   LYS  15          2HB       LYS  15   4.549   1.572   1.572
  109   2HB   LYS  15          1HB       LYS  15   3.215   2.693   2.693
  110   1HG   LYS  15          2HG       LYS  15   4.120   3.334   3.334
  111   2HG   LYS  15          1HG       LYS  15   5.496   2.287   2.287
  112   1HD   LYS  15          2HD       LYS  15   4.816   4.382   4.382
  113   2HD   LYS  15          1HD       LYS  15   5.607   4.891   4.891
  114   1HE   LYS  15          2HE       LYS  15   6.634   2.909   2.909
  115   2HE   LYS  15          1HE       LYS  15   7.364   4.427   4.427
  116   1HZ   LYS  15          1HZ       LYS  15   8.434   2.472   2.472
  117   2HZ   LYS  15          2HZ       LYS  15   7.837   3.483   3.483
  118    H    TYR  16           H        TYR  16   3.863  -1.485  -1.485
  119    HA   TYR  16           HA       TYR  16   5.686  -1.163  -1.163
  120   1HB   TYR  16          2HB       TYR  16   4.487  -2.923  -2.923
  121   2HB   TYR  16          1HB       TYR  16   3.342  -1.650  -1.650
  122    HD1  TYR  16           HD1      TYR  16   1.876  -1.983  -1.983
  123    HD2  TYR  16           HD2      TYR  16   3.994  -5.146  -5.146
  124    HE1  TYR  16           HE1      TYR  16   0.341  -3.692  -3.692
  125    HE2  TYR  16           HE2      TYR  16   2.452  -6.845  -6.845
  126    HH   TYR  16           HH       TYR  16   0.142  -5.869  -5.869
  127    H    LYS  17           H        LYS  17   6.702  -3.462  -3.462
  128    HA   LYS  17           HA       LYS  17   7.734  -4.367  -4.367
  129   1HB   LYS  17          2HB       LYS  17   8.396  -4.554  -4.554
  130   2HB   LYS  17          1HB       LYS  17   8.515  -6.131  -6.131
  131   1HG   LYS  17          2HG       LYS  17  10.026  -5.280  -5.280
  132   2HG   LYS  17          1HG       LYS  17   9.762  -3.624  -3.624
  133   1HD   LYS  17          2HD       LYS  17  10.904  -3.993  -3.993
  134   2HD   LYS  17          1HD       LYS  17  10.931  -5.728  -5.728
  135   1HE   LYS  17          2HE       LYS  17  12.807  -5.632  -5.632
  136   2HE   LYS  17          1HE       LYS  17  12.187  -4.295  -4.295
  137   1HZ   LYS  17          1HZ       LYS  17  12.706  -3.042  -3.042
  138   2HZ   LYS  17          2HZ       LYS  17  13.839  -4.208  -4.208
  139    H    ALA  18           H        ALA  18   7.801  -6.759  -6.759
  140    HA   ALA  18           HA       ALA  18   5.132  -7.890  -7.890
  141   1HB   ALA  18          1HB       ALA  18   6.251  -7.119  -7.119
  142   2HB   ALA  18          2HB       ALA  18   6.675  -8.847  -8.847
  143   3HB   ALA  18          3HB       ALA  18   4.972  -8.344  -8.344
  144    H    GLN  19           H        GLN  19   7.312  -8.193  -8.193
  145    HA   GLN  19           HA       GLN  19   8.247  -9.760  -9.760
  146   1HB   GLN  19          2HB       GLN  19   6.401 -11.197 -11.197
  147   2HB   GLN  19          1HB       GLN  19   6.452 -11.455 -11.455
  148   1HG   GLN  19          2HG       GLN  19   8.867 -12.396 -12.396
  149   2HG   GLN  19          1HG       GLN  19   7.388 -13.256 -13.256
  150   1HE2  GLN  19          2HE2      GLN  19   6.822 -14.393 -14.393
  151   2HE2  GLN  19          1HE2      GLN  19   5.991 -13.666 -13.666
  152    H    SER  20           H        SER  20   8.224 -10.967 -10.967
  153    HA   SER  20           HA       SER  20  10.545 -12.295 -12.295
  154   1HB   SER  20          2HB       SER  20  10.541 -10.869 -10.869
  155   2HB   SER  20          1HB       SER  20   9.913 -12.478 -12.478
  156    HG   SER  20           HG       SER  20   7.856 -11.690 -11.690
  157    H    GLY  21           H        GLY  21  10.045  -8.767  -8.767
  158   1HA   GLY  21          1HA       GLY  21  11.878  -7.558  -7.558
  159   2HA   GLY  21          2HA       GLY  21  12.982  -8.403  -8.403
  160    H    LYS  22           H        LYS  22  10.488  -8.099  -8.099
  161    HA   LYS  22           HA       LYS  22  11.639  -5.839  -5.839
  162   1HB   LYS  22          2HB       LYS  22  10.769  -7.869  -7.869
  163   2HB   LYS  22          1HB       LYS  22   9.143  -7.414  -7.414
  164   1HG   LYS  22          2HG       LYS  22   9.525  -5.168  -5.168
  165   2HG   LYS  22          1HG       LYS  22  11.050  -5.795  -5.795
  166   1HD   LYS  22          2HD       LYS  22   9.919  -7.582  -7.582
  167   2HD   LYS  22          1HD       LYS  22   8.379  -7.185  -7.185
  168   1HE   LYS  22          2HE       LYS  22   9.767  -4.949  -4.949
  169   2HE   LYS  22          1HE       LYS  22   9.152  -6.249  -6.249
  170   1HZ   LYS  22          1HZ       LYS  22   7.177  -5.211  -5.211
  171   2HZ   LYS  22          2HZ       LYS  22   7.103  -5.740  -5.740
  172    H    THR  23           H        THR  23   8.241  -5.802  -5.802
  173    HA   THR  23           HA       THR  23   7.648  -4.022  -4.022
  174    HB   THR  23           HB       THR  23   7.914  -2.947  -2.947
  175    HG1  THR  23          1HG       THR  23   9.562  -1.662  -1.662
  176   1HG2  THR  23          1HG2      THR  23   7.028  -1.650  -1.650
  177   2HG2  THR  23          2HG2      THR  23   7.482  -0.735  -0.735
  178   3HG2  THR  23          3HG2      THR  23   6.057  -1.802  -1.802
  179    H    ALA  24           H        ALA  24   5.356  -3.161  -3.161
  180    HA   ALA  24           HA       ALA  24   3.646  -4.408  -4.408
  181   1HB   ALA  24          2HB       ALA  24   4.256  -5.815  -5.815
  182   2HB   ALA  24          3HB       ALA  24   2.517  -5.566  -5.566
  183   3HB   ALA  24          1HB       ALA  24   3.505  -6.422  -6.422
  184    H    ILE  25           H        ILE  25   1.946  -3.034  -3.034
  185    HA   ILE  25           HA       ILE  25   1.496  -1.162  -1.162
  186    HB   ILE  25           HB       ILE  25   0.658  -0.870  -0.870
  187   1HG1  ILE  25          2HG1      ILE  25   3.279  -0.287  -0.287
  188   2HG1  ILE  25          3HG1      ILE  25   2.955  -0.940  -0.940
  189   1HG2  ILE  25          2HG2      ILE  25  -0.583   0.491   0.491
  190   2HG2  ILE  25          3HG2      ILE  25   0.950   1.158   1.158
  191   3HG2  ILE  25          1HG2      ILE  25   0.440   1.491   1.491
  192   1HD1  ILE  25          2HD1      ILE  25   1.929   1.355   1.355
  193   2HD1  ILE  25          3HD1      ILE  25   2.656   1.943   1.943
  194   3HD1  ILE  25          1HD1      ILE  25   3.695   1.306   1.306
  195    H    CYS  26           H        CYS  26  -0.506  -0.985  -0.985
  196    HA   CYS  26           HA       CYS  26  -2.609  -2.679  -2.679
  197   1HB   CYS  26          2HB       CYS  26  -3.232  -3.400  -3.400
  198   2HB   CYS  26          1HB       CYS  26  -1.657  -3.984  -3.984
  199    H    LYS  27           H        LYS  27  -4.161  -1.196  -1.196
  200    HA   LYS  27           HA       LYS  27  -4.353   1.387   1.387
  201   1HB   LYS  27          2HB       LYS  27  -6.785  -0.394  -0.394
  202   2HB   LYS  27          1HB       LYS  27  -6.648   1.304   1.304
  203   1HG   LYS  27          2HG       LYS  27  -4.611   0.348   0.348
  204   2HG   LYS  27          1HG       LYS  27  -5.601  -1.097  -1.097
  205   1HD   LYS  27          2HD       LYS  27  -6.847   1.590   1.590
  206   2HD   LYS  27          1HD       LYS  27  -6.021   0.662   0.662
  207   1HE   LYS  27          2HE       LYS  27  -7.515  -1.331  -1.331
  208   2HE   LYS  27          1HE       LYS  27  -8.438  -0.209  -0.209
  209   1HZ   LYS  27          1HZ       LYS  27  -8.176  -0.257  -0.257
  210   2HZ   LYS  27          2HZ       LYS  27  -9.531  -0.136  -0.136
  211    H    CYS  28           H        CYS  28  -5.681   2.662   2.662
  212    HA   CYS  28           HA       CYS  28  -5.633   1.409   1.409
  213   1HB   CYS  28          2HB       CYS  28  -5.473   4.195   4.195
  214   2HB   CYS  28          1HB       CYS  28  -6.265   3.969   3.969
  215    H    TYR  29           H        TYR  29  -7.543   1.563   1.563
  216    HA   TYR  29           HA       TYR  29  -9.990   1.331   1.331
  217   1HB   TYR  29          2HB       TYR  29  -8.747   0.359   0.359
  218   2HB   TYR  29          1HB       TYR  29 -10.187   1.229   1.229
  219    HD1  TYR  29           HD2      TYR  29  -9.609  -0.862  -0.862
  220    HD2  TYR  29           HD1      TYR  29 -11.715  -0.419  -0.419
  221    HE1  TYR  29           HE2      TYR  29 -11.034  -2.892  -2.892
  222    HE2  TYR  29           HE1      TYR  29 -13.133  -2.450  -2.450
  223    HH   TYR  29           HH       TYR  29 -12.502  -4.316  -4.316
  224    H    VAL  30           H        VAL  30 -11.889   2.139   2.139
  225    HA   VAL  30           HA       VAL  30 -12.463   4.656   4.656
  226    HB   VAL  30           HB       VAL  30 -13.336   4.667   4.667
  227   1HG1  VAL  30          1HG1      VAL  30 -14.314   3.345   3.345
  228   2HG1  VAL  30          2HG1      VAL  30 -15.196   3.032   3.032
  229   3HG1  VAL  30          3HG1      VAL  30 -15.003   4.701   4.701
  230   1HG2  VAL  30          1HG2      VAL  30 -11.855   2.410   2.410
  231   2HG2  VAL  30          2HG2      VAL  30 -13.327   2.677   2.677
  232   3HG2  VAL  30          3HG2      VAL  30 -13.408   1.725   1.725
  233    H    LYS  31           H        LYS  31 -10.441   3.717   3.717
  234    HA   LYS  31           HA       LYS  31  -9.863   6.340   6.340
  235   1HB   LYS  31          2HB       LYS  31  -8.839   3.621   3.621
  236   2HB   LYS  31          1HB       LYS  31  -7.745   4.949   4.949
  237   1HG   LYS  31          2HG       LYS  31 -10.534   5.479   5.479
  238   2HG   LYS  31          1HG       LYS  31  -9.809   4.100   4.100
  239   1HD   LYS  31          2HD       LYS  31  -8.000   6.450   6.450
  240   2HD   LYS  31          1HD       LYS  31  -9.445   6.754   6.754
  241   1HE   LYS  31          2HE       LYS  31  -8.062   5.880   5.880
  242   2HE   LYS  31          1HE       LYS  31  -8.849   4.409   4.409
  243   1HZ   LYS  31          1HZ       LYS  31  -6.279   5.318   5.318
  244   2HZ   LYS  31          2HZ       LYS  31  -6.343   4.322   4.322
  245    H    LYS  32           H        LYS  32  -9.501   7.417   7.417
  246    HA   LYS  32           HA       LYS  32  -7.518   6.707   6.707
  247   1HB   LYS  32          2HB       LYS  32  -9.209   8.328   8.328
  248   2HB   LYS  32          1HB       LYS  32  -8.685   9.406   9.406
  249   1HG   LYS  32          2HG       LYS  32  -6.669   9.978   9.978
  250   2HG   LYS  32          1HG       LYS  32  -6.714   8.550   8.550
  251   1HD   LYS  32          2HD       LYS  32  -7.329  10.642  10.642
  252   2HD   LYS  32          1HD       LYS  32  -8.597   9.433   9.433
  253   1HE   LYS  32          2HE       LYS  32 -10.017  10.658  10.658
  254   2HE   LYS  32          1HE       LYS  32  -8.700  11.400  11.400
  255   1HZ   LYS  32          1HZ       LYS  32  -9.474  12.104  12.104
  256   2HZ   LYS  32          2HZ       LYS  32  -9.787  13.007  13.007
  257    H    CYS  33           H        CYS  33  -5.357   7.633   7.633
  258    HA   CYS  33           HA       CYS  33  -3.821   7.481   7.481
  259   1HB   CYS  33          2HB       CYS  33  -2.715   8.747   8.747
  260   2HB   CYS  33          1HB       CYS  33  -1.980   7.602   7.602
  261    HA   PRO  34           HA       PRO  34  -3.906  11.666  11.666
  262   1HB   PRO  34          2HB       PRO  34  -1.597  11.860  11.860
  263   2HB   PRO  34          1HB       PRO  34  -3.073  11.163  11.163
  264   1HG   PRO  34          2HG       PRO  34  -0.612   9.792   9.792
  265   2HG   PRO  34          1HG       PRO  34  -1.902   9.179   9.179
  266   1HD   PRO  34          2HD       PRO  34  -1.465   8.579   8.579
  267   2HD   PRO  34          1HD       PRO  34  -2.818   8.059   8.059
  268    H    ARG  35           H        ARG  35  -0.765  10.671  10.671
  269    HA   ARG  35           HA       ARG  35  -0.881  12.623  12.623
  270   1HB   ARG  35          2HB       ARG  35   1.005  14.088  14.088
  271   2HB   ARG  35          1HB       ARG  35  -0.401  14.219  14.219
  272   1HG   ARG  35          2HG       ARG  35   1.002  12.110  12.110
  273   2HG   ARG  35          1HG       ARG  35   2.296  13.148  13.148
  274   1HD   ARG  35          2HD       ARG  35   0.730  15.064  15.064
  275   2HD   ARG  35          1HD       ARG  35   0.166  13.710  13.710
  276    HE   ARG  35           HE       ARG  35   2.312  13.517  13.517
  277   1HH1  ARG  35          2HH2      ARG  35   2.357  15.931  15.931
  278   2HH1  ARG  35          1HH2      ARG  35   3.896  16.579  16.579
  279    HH2  ARG  35          1HH       ARG  35   5.044  15.647  15.647
  280    H    ASP  36           H        ASP  36   0.688  12.147  12.147
  281    HA   ASP  36           HA       ASP  36   1.716   9.796   9.796
  282   1HB   ASP  36          2HB       ASP  36   2.264  11.110  11.110
  283   2HB   ASP  36          1HB       ASP  36   2.622  12.507  12.507
  284    HD1  ASP  36          2HD       ASP  36   5.922  11.160  11.160
  285    H    GLY  37           H        GLY  37   3.452   8.501   8.501
  286   1HA   GLY  37          1HA       GLY  37   5.522   8.151   8.151
  287   2HA   GLY  37          2HA       GLY  37   5.476   9.757   9.757
  288    H    ALA  38           H        ALA  38   2.536   9.315   9.315
  289    HA   ALA  38           HA       ALA  38   2.828   8.771   8.771
  290   1HB   ALA  38          3HB       ALA  38   0.510   7.986   7.986
  291   2HB   ALA  38          1HB       ALA  38   0.423   8.122   8.122
  292   3HB   ALA  38          2HB       ALA  38   0.753   9.565   9.565
  293    H    LYS  39           H        LYS  39   3.563   7.090   7.090
  294    HA   LYS  39           HA       LYS  39   4.219   4.644   4.644
  295   1HB   LYS  39          2HB       LYS  39   5.456   5.667   5.667
  296   2HB   LYS  39          1HB       LYS  39   4.090   5.356   5.356
  297   1HG   LYS  39          2HG       LYS  39   4.287   2.874   2.874
  298   2HG   LYS  39          1HG       LYS  39   5.812   3.293   3.293
  299   1HD   LYS  39          2HD       LYS  39   6.757   2.916   2.916
  300   2HD   LYS  39          1HD       LYS  39   6.079   4.461   4.461
  301   1HE   LYS  39          2HE       LYS  39   4.119   3.421   3.421
  302   2HE   LYS  39          1HE       LYS  39   4.472   1.880   1.880
  303   1HZ   LYS  39          1HZ       LYS  39   5.127   2.132   2.132
  304   2HZ   LYS  39          2HZ       LYS  39   6.290   1.540   1.540
  305    H    CYS  40           H        CYS  40   3.297   2.552   2.552
  306    HA   CYS  40           HA       CYS  40   0.797   2.363   2.363
  307   1HB   CYS  40          2HB       CYS  40  -0.237   1.325   1.325
  308   2HB   CYS  40          1HB       CYS  40  -0.312   3.051   3.051
  309    H    GLU  41           H        GLU  41  -0.057  -0.100  -0.100
  310    HA   GLU  41           HA       GLU  41   2.216  -1.808  -1.808
  311   1HB   GLU  41          2HB       GLU  41   1.298  -3.143  -3.143
  312   2HB   GLU  41          1HB       GLU  41   2.536  -1.911  -1.911
  313   1HG   GLU  41          2HG       GLU  41  -0.431  -1.260  -1.260
  314   2HG   GLU  41          1HG       GLU  41   0.536  -1.738  -1.738
  315    HE2  GLU  41          2HE       GLU  41  -0.042   1.581   1.581
  316    H    PHE  42           H        PHE  42   1.627  -3.827  -3.827
  317    HA   PHE  42           HA       PHE  42  -1.225  -4.040  -4.040
  318   1HB   PHE  42          2HB       PHE  42   0.333  -3.925  -3.925
  319   2HB   PHE  42          1HB       PHE  42   1.388  -5.122  -5.122
  320    HD1  PHE  42          1HD       PHE  42   0.709  -7.501  -7.501
  321    HD2  PHE  42          2HD       PHE  42  -1.611  -4.576  -4.576
  322    HE1  PHE  42          1HE       PHE  42  -0.490  -9.316  -9.316
  323    HE2  PHE  42          2HE       PHE  42  -2.810  -6.391  -6.391
  324    HZ   PHE  42           HZ       PHE  42  -2.235  -8.739  -8.739
  325    H    ASP  43           H        ASP  43  -2.295  -5.341  -5.341
  326    HA   ASP  43           HA       ASP  43  -0.921  -7.337  -7.337
  327   1HB   ASP  43          2HB       ASP  43  -3.193  -5.949  -5.949
  328   2HB   ASP  43          1HB       ASP  43  -3.923  -7.360  -7.360
  329    HD2  ASP  43          2HD       ASP  43  -3.366  -7.578  -7.578
  330    H    SER  44           H        SER  44  -0.777  -9.568  -9.568
  331    HA   SER  44           HA       SER  44  -1.875 -10.331 -10.331
  332   1HB   SER  44          2HB       SER  44  -0.207 -11.979 -11.979
  333   2HB   SER  44          1HB       SER  44   0.596 -10.687 -10.687
  334    HG   SER  44           HG       SER  44   0.204 -11.775 -11.775
  335    H    TYR  45           H        TYR  45  -2.898 -10.295 -10.295
  336    HA   TYR  45           HA       TYR  45  -3.801 -12.966 -12.966
  337   1HB   TYR  45          2HB       TYR  45  -4.603 -12.013 -12.013
  338   2HB   TYR  45          1HB       TYR  45  -3.391 -10.822 -10.822
  339    HD1  TYR  45           HD1      TYR  45  -4.643  -9.197  -9.197
  340    HD2  TYR  45           HD2      TYR  45  -6.385 -10.927 -10.927
  341    HE1  TYR  45           HE1      TYR  45  -6.427  -7.385  -7.385
  342    HE2  TYR  45           HE2      TYR  45  -8.163  -9.110  -9.110
  343    HH   TYR  45           HH       TYR  45  -8.032  -6.454  -6.454
  344    H    LYS  46           H        LYS  46  -4.827 -10.361 -10.361
  345    HA   LYS  46           HA       LYS  46  -7.228 -11.845 -11.845
  346   1HB   LYS  46          2HB       LYS  46  -7.306  -8.973  -8.973
  347   2HB   LYS  46          1HB       LYS  46  -8.617  -9.752  -9.752
  348   1HG   LYS  46          2HG       LYS  46  -8.344 -11.637 -11.637
  349   2HG   LYS  46          1HG       LYS  46  -7.541 -10.366 -10.366
  350   1HD   LYS  46          2HD       LYS  46  -9.634  -8.903  -8.903
  351   2HD   LYS  46          1HD       LYS  46 -10.406 -10.409 -10.409
  352   1HE   LYS  46          2HE       LYS  46  -9.205 -10.970 -10.970
  353   2HE   LYS  46          1HE       LYS  46  -9.843  -9.347  -9.347
  354   1HZ   LYS  46          1HZ       LYS  46 -11.879 -10.244 -10.244
  355   2HZ   LYS  46          2HZ       LYS  46 -11.779 -10.886 -10.886
  356    H    GLY  47           H        GLY  47  -5.610  -8.643  -8.643
  357   1HA   GLY  47          1HA       GLY  47  -4.296  -8.600  -8.600
  358   2HA   GLY  47          2HA       GLY  47  -5.698  -9.313  -9.313
  359    H    LYS  48           H        LYS  48  -5.618  -6.767  -6.767
  360    HA   LYS  48           HA       LYS  48  -7.083  -5.045  -5.045
  361   1HB   LYS  48          2HB       LYS  48  -7.481  -5.768  -5.768
  362   2HB   LYS  48          1HB       LYS  48  -7.153  -4.048  -4.048
  363   1HG   LYS  48          2HG       LYS  48  -9.018  -3.602  -3.602
  364   2HG   LYS  48          1HG       LYS  48  -9.067  -5.229  -5.229
  365   1HD   LYS  48          2HD       LYS  48 -10.848  -5.398  -5.398
  366   2HD   LYS  48          1HD       LYS  48  -9.566  -5.863  -5.863
  367   1HE   LYS  48          2HE       LYS  48 -10.130  -4.120  -4.120
  368   2HE   LYS  48          1HE       LYS  48  -9.614  -3.019  -3.019
  369   1HZ   LYS  48          1HZ       LYS  48 -12.345  -4.079  -4.079
  370   2HZ   LYS  48          2HZ       LYS  48 -11.876  -2.520  -2.520
  371    H    CYS  49           H        CYS  49  -6.596  -2.607  -2.607
  372    HA   CYS  49           HA       CYS  49  -3.706  -2.327  -2.327
  373   1HB   CYS  49          2HB       CYS  49  -4.319  -1.687  -1.687
  374   2HB   CYS  49          1HB       CYS  49  -5.720  -0.792  -0.792
  375    H    TYR  50           H        TYR  50  -3.684  -2.090  -2.090
  376    HA   TYR  50           HA       TYR  50  -5.504  -0.436  -0.436
  377   1HB   TYR  50          2HB       TYR  50  -2.814  -1.803  -1.803
  378   2HB   TYR  50          1HB       TYR  50  -3.284  -0.614  -0.614
  379    HD1  TYR  50           HD2      TYR  50  -5.534  -2.987  -2.987
  380    HD2  TYR  50           HD1      TYR  50  -3.652  -1.963  -1.963
  381    HE1  TYR  50           HE2      TYR  50  -6.926  -4.742  -4.742
  382    HE2  TYR  50           HE1      TYR  50  -5.050  -3.722  -3.722
  383    HH   TYR  50           HH       TYR  50  -7.547  -5.521  -5.521
  384    H    CYS  51           H        CYS  51  -5.086   1.308   1.308
  385    HA   CYS  51           HA       CYS  51  -2.806   2.963   2.963
  386   1HB   CYS  51          2HB       CYS  51  -4.932   3.611   3.611
  387   2HB   CYS  51          1HB       CYS  51  -3.275   4.176   4.176

  Start of MODEL   36
    1    H    ALA   1           H        ALA   1   2.611 -10.397 -10.397
    2    HA   ALA   1           HA       ALA   1   5.032 -10.843 -10.843
    3   1HB   ALA   1          2HB       ALA   1   2.907 -12.733 -12.733
    4   2HB   ALA   1          3HB       ALA   1   3.382 -11.783 -11.783
    5   3HB   ALA   1          1HB       ALA   1   4.606 -12.714 -12.714
    6    H    THR   2           H        THR   2   3.671  -8.610  -8.610
    7    HA   THR   2           HA       THR   2   2.207  -7.404  -7.404
    8    HB   THR   2           HB       THR   2   3.169  -5.785  -5.785
    9    HG1  THR   2          1HG       THR   2   2.720  -7.530  -7.530
   10   1HG2  THR   2          2HG2      THR   2   1.062  -5.581  -5.581
   11   2HG2  THR   2          3HG2      THR   2   0.282  -6.434  -6.434
   12   3HG2  THR   2          1HG2      THR   2   1.056  -4.854  -4.854
   13    H    TYR   3           H        TYR   3   2.839  -5.655  -5.655
   14    HA   TYR   3           HA       TYR   3   5.755  -5.249  -5.249
   15   1HB   TYR   3          2HB       TYR   3   3.734  -4.938  -4.938
   16   2HB   TYR   3          1HB       TYR   3   5.469  -5.134  -5.134
   17    HD1  TYR   3           HD1      TYR   3   6.220  -7.459  -7.459
   18    HD2  TYR   3           HD2      TYR   3   2.567  -6.751  -6.751
   19    HE1  TYR   3           HE1      TYR   3   5.904  -9.963  -9.963
   20    HE2  TYR   3           HE2      TYR   3   2.264  -9.257  -9.257
   21    HH   TYR   3           HH       TYR   3   3.219 -11.380 -11.380
   22    H    ASN   4           H        ASN   4   6.322  -3.238  -3.238
   23    HA   ASN   4           HA       ASN   4   4.322  -1.197  -1.197
   24   1HB   ASN   4          2HB       ASN   4   7.222  -0.643  -0.643
   25   2HB   ASN   4          1HB       ASN   4   5.780  -0.014  -0.014
   26   1HD2  ASN   4          2HD2      ASN   4   5.233  -2.757  -2.757
   27   2HD2  ASN   4          1HD2      ASN   4   4.490  -1.456  -1.456
   28    H    GLY   5           H        GLY   5   4.776   0.984   0.984
   29   1HA   GLY   5          1HA       GLY   5   6.917   1.335   1.335
   30   2HA   GLY   5          2HA       GLY   5   5.468   0.831   0.831
   31    H    LYS   6           H        LYS   6   4.760   2.701   2.701
   32    HA   LYS   6           HA       LYS   6   3.879   4.813   4.813
   33   1HB   LYS   6          2HB       LYS   6   5.527   5.519   5.519
   34   2HB   LYS   6          1HB       LYS   6   4.977   6.576   6.576
   35   1HG   LYS   6          2HG       LYS   6   6.433   5.423   5.423
   36   2HG   LYS   6          1HG       LYS   6   6.913   4.250   4.250
   37   1HD   LYS   6          2HD       LYS   6   7.828   6.186   6.186
   38   2HD   LYS   6          1HD       LYS   6   7.499   7.247   7.247
   39   1HE   LYS   6          2HE       LYS   6   9.208   6.353   6.353
   40   2HE   LYS   6          1HE       LYS   6   9.063   4.754   4.754
   41   1HZ   LYS   6          1HZ       LYS   6  10.192   7.086   7.086
   42   2HZ   LYS   6          2HZ       LYS   6  11.096   5.949   5.949
   43    H    CYS   7           H        CYS   7   2.306   6.283   6.283
   44    HA   CYS   7           HA       CYS   7   1.150   5.014   5.014
   45   1HB   CYS   7          2HB       CYS   7  -1.112   5.729   5.729
   46   2HB   CYS   7          1HB       CYS   7  -0.361   4.210   4.210
   47    H    TYR   8           H        TYR   8  -0.604   6.682   6.682
   48    HA   TYR   8           HA       TYR   8   0.292   9.427   9.427
   49   1HB   TYR   8          2HB       TYR   8  -0.050   7.949   7.949
   50   2HB   TYR   8          1HB       TYR   8   0.363   9.645   9.645
   51    HD1  TYR   8           HD1      TYR   8   2.572  10.202  10.202
   52    HD2  TYR   8           HD2      TYR   8   1.648   6.343   6.343
   53    HE1  TYR   8           HE1      TYR   8   5.040   9.592   9.592
   54    HE2  TYR   8           HE2      TYR   8   4.119   5.746   5.746
   55    HH   TYR   8           HH       TYR   8   6.540   8.145   8.145
   56    H    LYS   9           H        LYS   9  -1.360  10.916  10.916
   57    HA   LYS   9           HA       LYS   9  -3.979  10.031  10.031
   58   1HB   LYS   9          2HB       LYS   9  -2.539  12.574  12.574
   59   2HB   LYS   9          1HB       LYS   9  -4.119  12.725  12.725
   60   1HG   LYS   9          2HG       LYS   9  -5.129  11.534  11.534
   61   2HG   LYS   9          1HG       LYS   9  -3.544  11.483  11.483
   62   1HD   LYS   9          2HD       LYS   9  -3.584  13.713  13.713
   63   2HD   LYS   9          1HD       LYS   9  -4.350  14.189  14.189
   64   1HE   LYS   9          2HE       LYS   9  -6.404  12.781  12.781
   65   2HE   LYS   9          1HE       LYS   9  -5.596  13.414  13.414
   66   1HZ   LYS   9          1HZ       LYS   9  -5.786  15.467  15.467
   67   2HZ   LYS   9          2HZ       LYS   9  -7.266  14.814  14.814
   68    H    LYS  10           H        LYS  10  -2.701  12.205  12.205
   69    HA   LYS  10           HA       LYS  10  -4.692  11.988  11.988
   70   1HB   LYS  10          2HB       LYS  10  -2.326  13.155  13.155
   71   2HB   LYS  10          1HB       LYS  10  -1.887  11.755  11.755
   72   1HG   LYS  10          2HG       LYS  10  -4.342  12.465  12.465
   73   2HG   LYS  10          1HG       LYS  10  -3.667  14.027  14.027
   74   1HD   LYS  10          2HD       LYS  10  -1.896  13.833  13.833
   75   2HD   LYS  10          1HD       LYS  10  -1.804  12.090  12.090
   76   1HE   LYS  10          2HE       LYS  10  -3.126  11.783  11.783
   77   2HE   LYS  10          1HE       LYS  10  -4.379  12.809  12.809
   78   1HZ   LYS  10          1HZ       LYS  10  -3.750  14.061  14.061
   79   2HZ   LYS  10          2HZ       LYS  10  -2.677  14.679  14.679
   80    H    ASP  11           H        ASP  11  -1.786   9.897   9.897
   81    HA   ASP  11           HA       ASP  11  -3.023   8.150   8.150
   82   1HB   ASP  11          2HB       ASP  11  -0.712   7.914   7.914
   83   2HB   ASP  11          1HB       ASP  11  -1.261   6.464   6.464
   84    HD1  ASP  11          2HD       ASP  11  -0.677   7.828   7.828
   85    H    ASN  12           H        ASN  12  -3.337   8.564   8.564
   86    HA   ASN  12           HA       ASN  12  -4.248   7.392   7.392
   87   1HB   ASN  12          2HB       ASN  12  -6.328   8.111   8.111
   88   2HB   ASN  12          1HB       ASN  12  -6.178   7.045   7.045
   89   1HD2  ASN  12          2HD2      ASN  12  -7.389   5.587   5.587
   90   2HD2  ASN  12          1HD2      ASN  12  -6.417   7.013   7.013
   91    H    ILE  13           H        ILE  13  -2.209   5.844   5.844
   92    HA   ILE  13           HA       ILE  13  -3.310   3.150   3.150
   93    HB   ILE  13           HB       ILE  13  -1.404   2.471   2.471
   94   1HG1  ILE  13          2HG1      ILE  13  -0.284   4.307   4.307
   95   2HG1  ILE  13          3HG1      ILE  13  -0.924   5.456   5.456
   96   1HG2  ILE  13          2HG2      ILE  13  -3.832   3.604   3.604
   97   2HG2  ILE  13          3HG2      ILE  13  -2.650   4.414   4.414
   98   3HG2  ILE  13          1HG2      ILE  13  -2.757   2.638   2.638
   99   1HD1  ILE  13          1HD1      ILE  13   0.419   3.124   3.124
  100   2HD1  ILE  13          2HD1      ILE  13   1.490   4.145   4.145
  101   3HD1  ILE  13          3HD1      ILE  13   0.578   4.859   4.859
  102    H    CYS  14           H        CYS  14  -1.277   1.567   1.567
  103    HA   CYS  14           HA       CYS  14   0.143   2.831   2.831
  104   1HB   CYS  14          2HB       CYS  14  -1.639   1.649   1.649
  105   2HB   CYS  14          1HB       CYS  14  -1.396   0.237   0.237
  106    H    LYS  15           H        LYS  15   2.186   2.904   2.904
  107    HA   LYS  15           HA       LYS  15   3.077   0.543   0.543
  108   1HB   LYS  15          2HB       LYS  15   4.710   1.908   1.908
  109   2HB   LYS  15          1HB       LYS  15   3.286   2.926   2.926
  110   1HG   LYS  15          2HG       LYS  15   4.140   4.215   4.215
  111   2HG   LYS  15          1HG       LYS  15   5.256   2.961   2.961
  112   1HD   LYS  15          2HD       LYS  15   6.027   5.140   5.140
  113   2HD   LYS  15          1HD       LYS  15   6.878   3.609   3.609
  114   1HE   LYS  15          2HE       LYS  15   5.940   2.999   2.999
  115   2HE   LYS  15          1HE       LYS  15   4.541   4.034   4.034
  116   1HZ   LYS  15          1HZ       LYS  15   6.717   5.737   5.737
  117   2HZ   LYS  15          2HZ       LYS  15   7.046   4.685   4.685
  118    H    TYR  16           H        TYR  16   4.712  -0.815  -0.815
  119    HA   TYR  16           HA       TYR  16   6.388  -0.110  -0.110
  120   1HB   TYR  16          2HB       TYR  16   5.399  -1.982  -1.982
  121   2HB   TYR  16          1HB       TYR  16   4.308  -0.626  -0.626
  122    HD1  TYR  16           HD1      TYR  16   2.660  -0.852  -0.852
  123    HD2  TYR  16           HD2      TYR  16   4.564  -4.127  -4.127
  124    HE1  TYR  16           HE1      TYR  16   0.874  -2.433  -2.433
  125    HE2  TYR  16           HE2      TYR  16   2.771  -5.697  -5.697
  126    HH   TYR  16           HH       TYR  16   0.832  -5.831  -5.831
  127    H    LYS  17           H        LYS  17   7.368  -2.457  -2.457
  128    HA   LYS  17           HA       LYS  17   8.094  -3.806  -3.806
  129   1HB   LYS  17          2HB       LYS  17   9.704  -2.541  -2.541
  130   2HB   LYS  17          1HB       LYS  17   9.884  -4.246  -4.246
  131   1HG   LYS  17          2HG       LYS  17  10.089  -3.193  -3.193
  132   2HG   LYS  17          1HG       LYS  17  11.477  -3.223  -3.223
  133   1HD   LYS  17          2HD       LYS  17  10.830  -5.752  -5.752
  134   2HD   LYS  17          1HD       LYS  17   9.875  -5.569  -5.569
  135   1HE   LYS  17          2HE       LYS  17  12.057  -4.586  -4.586
  136   2HE   LYS  17          1HE       LYS  17  12.886  -5.269  -5.269
  137   1HZ   LYS  17          1HZ       LYS  17  12.574  -6.718  -6.718
  138   2HZ   LYS  17          2HZ       LYS  17  12.335  -7.425  -7.425
  139    H    ALA  18           H        ALA  18   7.016  -5.684  -5.684
  140    HA   ALA  18           HA       ALA  18   5.679  -6.984  -6.984
  141   1HB   ALA  18          1HB       ALA  18   5.549  -7.045  -7.045
  142   2HB   ALA  18          2HB       ALA  18   6.540  -8.501  -8.501
  143   3HB   ALA  18          3HB       ALA  18   4.935  -8.374  -8.374
  144    H    GLN  19           H        GLN  19   6.113  -9.364  -9.364
  145    HA   GLN  19           HA       GLN  19   8.493  -9.478  -9.478
  146   1HB   GLN  19          2HB       GLN  19   6.164 -10.975 -10.975
  147   2HB   GLN  19          1HB       GLN  19   7.335 -12.111 -12.111
  148   1HG   GLN  19          2HG       GLN  19   8.106 -10.551 -10.551
  149   2HG   GLN  19          1HG       GLN  19   6.918 -11.825 -11.825
  150   1HE2  GLN  19          2HE2      GLN  19  10.213 -13.332 -13.332
  151   2HE2  GLN  19          1HE2      GLN  19   9.181 -12.125 -12.125
  152    H    SER  20           H        SER  20   7.612 -10.603 -10.603
  153    HA   SER  20           HA       SER  20  10.373 -11.497 -11.497
  154   1HB   SER  20          2HB       SER  20   9.162 -12.599 -12.599
  155   2HB   SER  20          1HB       SER  20   9.274 -13.413 -13.413
  156    HG   SER  20           HG       SER  20   7.087 -13.378 -13.378
  157    H    GLY  21           H        GLY  21   8.477  -8.857  -8.857
  158   1HA   GLY  21          1HA       GLY  21   8.837  -6.996  -6.996
  159   2HA   GLY  21          2HA       GLY  21  10.144  -7.805  -7.805
  160    H    LYS  22           H        LYS  22   7.579  -9.953  -9.953
  161    HA   LYS  22           HA       LYS  22   7.201  -9.612  -9.612
  162   1HB   LYS  22          2HB       LYS  22   6.773 -11.630 -11.630
  163   2HB   LYS  22          1HB       LYS  22   5.152 -10.970 -10.970
  164   1HG   LYS  22          2HG       LYS  22   6.402 -11.272 -11.272
  165   2HG   LYS  22          1HG       LYS  22   5.895 -12.735 -12.735
  166   1HD   LYS  22          2HD       LYS  22   3.612 -12.054 -12.054
  167   2HD   LYS  22          1HD       LYS  22   4.005 -10.367 -10.367
  168   1HE   LYS  22          2HE       LYS  22   4.007 -10.603 -10.603
  169   2HE   LYS  22          1HE       LYS  22   4.953 -12.077 -12.077
  170   1HZ   LYS  22          1HZ       LYS  22   2.659 -13.017 -13.017
  171   2HZ   LYS  22          2HZ       LYS  22   2.045 -11.781 -11.781
  172    H    THR  23           H        THR  23   5.402  -8.378  -8.378
  173    HA   THR  23           HA       THR  23   3.364  -7.205  -7.205
  174    HB   THR  23           HB       THR  23   3.667  -8.020  -8.020
  175    HG1  THR  23          1HG       THR  23   1.666  -6.323  -6.323
  176   1HG2  THR  23          3HG2      THR  23   4.428  -5.442  -5.442
  177   2HG2  THR  23          1HG2      THR  23   2.679  -5.163  -5.163
  178   3HG2  THR  23          2HG2      THR  23   3.287  -6.129  -6.129
  179    H    ALA  24           H        ALA  24   2.858  -4.735  -4.735
  180    HA   ALA  24           HA       ALA  24   4.760  -2.938  -2.938
  181   1HB   ALA  24          1HB       ALA  24   5.163  -4.074  -4.074
  182   2HB   ALA  24          2HB       ALA  24   5.226  -2.299  -2.299
  183   3HB   ALA  24          3HB       ALA  24   6.326  -3.295  -3.295
  184    H    ILE  25           H        ILE  25   3.363  -1.343  -1.343
  185    HA   ILE  25           HA       ILE  25   1.689   0.091   0.091
  186    HB   ILE  25           HB       ILE  25   1.886  -0.232  -0.232
  187   1HG1  ILE  25          2HG1      ILE  25   3.216   2.051   2.051
  188   2HG1  ILE  25          3HG1      ILE  25   3.943   0.490   0.490
  189   1HG2  ILE  25          1HG2      ILE  25   0.727   1.963   1.963
  190   2HG2  ILE  25          2HG2      ILE  25   1.024   2.105   2.105
  191   3HG2  ILE  25          3HG2      ILE  25  -0.142   0.907   0.907
  192   1HD1  ILE  25          1HD1      ILE  25   3.915   0.041   0.041
  193   2HD1  ILE  25          2HD1      ILE  25   3.418   1.736   1.736
  194   3HD1  ILE  25          3HD1      ILE  25   4.994   1.358   1.358
  195    H    CYS  26           H        CYS  26  -0.553   0.061   0.061
  196    HA   CYS  26           HA       CYS  26  -2.076  -1.866  -1.866
  197   1HB   CYS  26          2HB       CYS  26  -1.248  -3.375  -3.375
  198   2HB   CYS  26          1HB       CYS  26  -1.579  -2.247  -2.247
  199    H    LYS  27           H        LYS  27  -3.840  -0.628  -0.628
  200    HA   LYS  27           HA       LYS  27  -4.477   1.804   1.804
  201   1HB   LYS  27          2HB       LYS  27  -6.645  -0.247  -0.247
  202   2HB   LYS  27          1HB       LYS  27  -6.663   1.464   1.464
  203   1HG   LYS  27          2HG       LYS  27  -4.522   0.848   0.848
  204   2HG   LYS  27          1HG       LYS  27  -5.188  -0.771  -0.771
  205   1HD   LYS  27          2HD       LYS  27  -6.280   0.011   0.011
  206   2HD   LYS  27          1HD       LYS  27  -7.459   0.454   0.454
  207   1HE   LYS  27          2HE       LYS  27  -7.020   2.722   2.722
  208   2HE   LYS  27          1HE       LYS  27  -5.312   2.479   2.479
  209   1HZ   LYS  27          1HZ       LYS  27  -5.961   1.668   1.668
  210   2HZ   LYS  27          2HZ       LYS  27  -7.509   2.072   2.072
  211    H    CYS  28           H        CYS  28  -5.422   2.863   2.863
  212    HA   CYS  28           HA       CYS  28  -5.648   1.270   1.270
  213   1HB   CYS  28          2HB       CYS  28  -5.568   4.231   4.231
  214   2HB   CYS  28          1HB       CYS  28  -6.023   3.602   3.602
  215    H    TYR  29           H        TYR  29  -7.615   0.741   0.741
  216    HA   TYR  29           HA       TYR  29 -10.007   1.860   1.860
  217   1HB   TYR  29          2HB       TYR  29 -10.882  -0.345  -0.345
  218   2HB   TYR  29          1HB       TYR  29  -9.179  -0.721  -0.721
  219    HD1  TYR  29           HD1      TYR  29  -7.811  -1.129  -1.129
  220    HD2  TYR  29           HD2      TYR  29 -12.087  -0.981  -0.981
  221    HE1  TYR  29           HE1      TYR  29  -7.876  -2.361  -2.361
  222    HE2  TYR  29           HE2      TYR  29 -12.137  -2.213  -2.213
  223    HH   TYR  29           HH       TYR  29 -10.441  -3.897  -3.897
  224    H    VAL  30           H        VAL  30 -11.533   2.870   2.870
  225    HA   VAL  30           HA       VAL  30 -12.495   3.763   3.763
  226    HB   VAL  30           HB       VAL  30 -11.450   1.195   1.195
  227   1HG1  VAL  30          2HG1      VAL  30 -12.249   3.571   3.571
  228   2HG1  VAL  30          3HG1      VAL  30 -13.054   2.050   2.050
  229   3HG1  VAL  30          1HG1      VAL  30 -11.277   2.155   2.155
  230   1HG2  VAL  30          3HG2      VAL  30 -13.674   1.789   1.789
  231   2HG2  VAL  30          1HG2      VAL  30 -13.574   0.449   0.449
  232   3HG2  VAL  30          2HG2      VAL  30 -14.297   2.001   2.001
  233    H    LYS  31           H        LYS  31  -9.618   2.395   2.395
  234    HA   LYS  31           HA       LYS  31  -9.072   4.900   4.900
  235   1HB   LYS  31          2HB       LYS  31  -8.083   2.146   2.146
  236   2HB   LYS  31          1HB       LYS  31  -6.806   3.332   3.332
  237   1HG   LYS  31          2HG       LYS  31  -7.659   4.175   4.175
  238   2HG   LYS  31          1HG       LYS  31  -9.325   3.913   3.913
  239   1HD   LYS  31          2HD       LYS  31  -8.065   1.327   1.327
  240   2HD   LYS  31          1HD       LYS  31  -7.642   2.231   2.231
  241   1HE   LYS  31          2HE       LYS  31 -10.470   1.757   1.757
  242   2HE   LYS  31          1HE       LYS  31  -9.756   1.000   1.000
  243   1HZ   LYS  31          1HZ       LYS  31 -11.120   2.908   2.908
  244   2HZ   LYS  31          2HZ       LYS  31  -9.569   3.217   3.217
  245    H    LYS  32           H        LYS  32  -9.182   5.992   5.992
  246    HA   LYS  32           HA       LYS  32  -7.233   5.679   5.679
  247   1HB   LYS  32          2HB       LYS  32  -8.285   7.409   7.409
  248   2HB   LYS  32          1HB       LYS  32  -9.346   7.402   7.402
  249   1HG   LYS  32          2HG       LYS  32  -7.526   8.890   8.890
  250   2HG   LYS  32          1HG       LYS  32  -6.874   9.113   9.113
  251   1HD   LYS  32          2HD       LYS  32  -8.484  10.927  10.927
  252   2HD   LYS  32          1HD       LYS  32  -8.963  10.091  10.091
  253   1HE   LYS  32          2HE       LYS  32 -10.739   8.956   8.956
  254   2HE   LYS  32          1HE       LYS  32 -10.004   9.058   9.058
  255   1HZ   LYS  32          1HZ       LYS  32 -11.946  10.703  10.703
  256   2HZ   LYS  32          2HZ       LYS  32 -10.873  11.123  11.123
  257    H    CYS  33           H        CYS  33  -5.364   7.235   7.235
  258    HA   CYS  33           HA       CYS  33  -3.554   7.041   7.041
  259   1HB   CYS  33          2HB       CYS  33  -2.761   6.799   6.799
  260   2HB   CYS  33          1HB       CYS  33  -3.387   8.368   8.368
  261    HA   PRO  34           HA       PRO  34  -4.492  10.902  10.902
  262   1HB   PRO  34          2HB       PRO  34  -2.410  11.073  11.073
  263   2HB   PRO  34          1HB       PRO  34  -3.865  10.151  10.151
  264   1HG   PRO  34          2HG       PRO  34  -1.177   9.171   9.171
  265   2HG   PRO  34          1HG       PRO  34  -2.504   8.289   8.289
  266   1HD   PRO  34          2HD       PRO  34  -1.672   8.181   8.181
  267   2HD   PRO  34          1HD       PRO  34  -3.068   7.389   7.389
  268    H    ARG  35           H        ARG  35  -1.304  10.318  10.318
  269    HA   ARG  35           HA       ARG  35  -1.371  12.604  12.604
  270   1HB   ARG  35          2HB       ARG  35   0.462  13.930  13.930
  271   2HB   ARG  35          1HB       ARG  35  -1.129  13.981  13.981
  272   1HG   ARG  35          2HG       ARG  35  -0.187  11.804  11.804
  273   2HG   ARG  35          1HG       ARG  35   1.353  12.559  12.559
  274   1HD   ARG  35          2HD       ARG  35   0.623  14.657  14.657
  275   2HD   ARG  35          1HD       ARG  35  -0.973  13.988  13.988
  276    HE   ARG  35           HE       ARG  35   0.564  12.120  12.120
  277   1HH1  ARG  35          2HH2      ARG  35   0.688  15.658  15.658
  278   2HH1  ARG  35          1HH2      ARG  35   1.311  15.688  15.688
  279    HH2  ARG  35          1HH       ARG  35   1.714  13.620  13.620
  280    H    ASP  36           H        ASP  36   0.506  12.704  12.704
  281    HA   ASP  36           HA       ASP  36   1.694  10.451  10.451
  282   1HB   ASP  36          2HB       ASP  36   2.212  12.159  12.159
  283   2HB   ASP  36          1HB       ASP  36   2.477  13.328  13.328
  284    HD2  ASP  36          2HD       ASP  36   5.518  12.157  12.157
  285    H    GLY  37           H        GLY  37   3.478   9.173   9.173
  286   1HA   GLY  37          1HA       GLY  37   5.419   8.710   8.710
  287   2HA   GLY  37          2HA       GLY  37   5.308  10.238  10.238
  288    H    ALA  38           H        ALA  38   2.317   9.651   9.651
  289    HA   ALA  38           HA       ALA  38   2.436   8.903   8.903
  290   1HB   ALA  38          2HB       ALA  38   0.363   8.448   8.448
  291   2HB   ALA  38          3HB       ALA  38   0.072   7.892   7.892
  292   3HB   ALA  38          1HB       ALA  38   0.355   9.619   9.619
  293    H    LYS  39           H        LYS  39   3.167   7.171   7.171
  294    HA   LYS  39           HA       LYS  39   4.002   4.846   4.846
  295   1HB   LYS  39          2HB       LYS  39   5.172   5.774   5.774
  296   2HB   LYS  39          1HB       LYS  39   3.789   5.401   5.401
  297   1HG   LYS  39          2HG       LYS  39   4.766   3.107   3.107
  298   2HG   LYS  39          1HG       LYS  39   5.920   3.693   3.693
  299   1HD   LYS  39          2HD       LYS  39   3.535   3.667   3.667
  300   2HD   LYS  39          1HD       LYS  39   3.360   2.264   2.264
  301   1HE   LYS  39          2HE       LYS  39   4.562   1.235   1.235
  302   2HE   LYS  39          1HE       LYS  39   5.932   1.869   1.869
  303   1HZ   LYS  39          1HZ       LYS  39   6.089   3.699   3.699
  304   2HZ   LYS  39          2HZ       LYS  39   4.631   3.424   3.424
  305    H    CYS  40           H        CYS  40   3.178   2.692   2.692
  306    HA   CYS  40           HA       CYS  40   0.642   2.333   2.333
  307   1HB   CYS  40          2HB       CYS  40  -0.150   3.266   3.266
  308   2HB   CYS  40          1HB       CYS  40   0.888   2.219   2.219
  309    H    GLU  41           H        GLU  41   0.008  -0.063  -0.063
  310    HA   GLU  41           HA       GLU  41   2.335  -1.689  -1.689
  311   1HB   GLU  41          2HB       GLU  41   1.330  -3.066  -3.066
  312   2HB   GLU  41          1HB       GLU  41   2.622  -1.890  -1.890
  313   1HG   GLU  41          2HG       GLU  41  -0.279  -1.009  -1.009
  314   2HG   GLU  41          1HG       GLU  41   0.532  -1.675  -1.675
  315    HE2  GLU  41          2HE       GLU  41  -0.188   0.770   0.770
  316    H    PHE  42           H        PHE  42   1.869  -3.630  -3.630
  317    HA   PHE  42           HA       PHE  42  -0.950  -4.003  -4.003
  318   1HB   PHE  42          2HB       PHE  42   0.733  -3.775  -3.775
  319   2HB   PHE  42          1HB       PHE  42   1.725  -5.029  -5.029
  320    HD1  PHE  42          1HD       PHE  42   0.884  -7.395  -7.395
  321    HD2  PHE  42          2HD       PHE  42  -1.059  -4.317  -4.317
  322    HE1  PHE  42          1HE       PHE  42  -0.296  -9.123  -9.123
  323    HE2  PHE  42          2HE       PHE  42  -2.239  -6.044  -6.044
  324    HZ   PHE  42           HZ       PHE  42  -1.844  -8.426  -8.426
  325    H    ASP  43           H        ASP  43  -2.036  -5.416  -5.416
  326    HA   ASP  43           HA       ASP  43  -0.616  -7.353  -7.353
  327   1HB   ASP  43          2HB       ASP  43  -3.014  -6.080  -6.080
  328   2HB   ASP  43          1HB       ASP  43  -3.584  -7.588  -7.588
  329    HD2  ASP  43          2HD       ASP  43  -3.176  -7.609  -7.609
  330    H    SER  44           H        SER  44  -0.390  -9.585  -9.585
  331    HA   SER  44           HA       SER  44  -1.303 -10.345 -10.345
  332   1HB   SER  44          2HB       SER  44   0.403 -11.971 -11.971
  333   2HB   SER  44          1HB       SER  44   1.123 -10.638 -10.638
  334    HG   SER  44           HG       SER  44   0.436 -13.202 -13.202
  335    H    TYR  45           H        TYR  45  -2.250 -10.575 -10.575
  336    HA   TYR  45           HA       TYR  45  -3.184 -13.213 -13.213
  337   1HB   TYR  45          2HB       TYR  45  -4.123 -12.355 -12.355
  338   2HB   TYR  45          1HB       TYR  45  -2.861 -11.178 -11.178
  339    HD1  TYR  45           HD1      TYR  45  -4.056  -9.510  -9.510
  340    HD2  TYR  45           HD2      TYR  45  -5.835 -11.183 -11.183
  341    HE1  TYR  45           HE1      TYR  45  -5.792  -7.653  -7.653
  342    HE2  TYR  45           HE2      TYR  45  -7.566  -9.321  -9.321
  343    HH   TYR  45           HH       TYR  45  -8.489  -7.721  -7.721
  344    H    LYS  46           H        LYS  46  -4.185 -10.620 -10.620
  345    HA   LYS  46           HA       LYS  46  -6.571 -12.107 -12.107
  346   1HB   LYS  46          2HB       LYS  46  -6.648  -9.248  -9.248
  347   2HB   LYS  46          1HB       LYS  46  -7.924  -9.959  -9.959
  348   1HG   LYS  46          2HG       LYS  46  -7.767 -11.913 -11.913
  349   2HG   LYS  46          1HG       LYS  46  -7.072 -10.637 -10.637
  350   1HD   LYS  46          2HD       LYS  46  -9.083  -9.594  -9.594
  351   2HD   LYS  46          1HD       LYS  46  -9.477  -9.721  -9.721
  352   1HE   LYS  46          2HE       LYS  46  -9.899 -12.271 -12.271
  353   2HE   LYS  46          1HE       LYS  46  -9.954 -11.764 -11.764
  354   1HZ   LYS  46          1HZ       LYS  46 -12.154 -11.541 -11.541
  355   2HZ   LYS  46          2HZ       LYS  46 -11.630 -10.012 -10.012
  356    H    GLY  47           H        GLY  47  -4.725  -9.027  -9.027
  357   1HA   GLY  47          1HA       GLY  47  -3.432  -8.902  -8.902
  358   2HA   GLY  47          2HA       GLY  47  -4.738  -9.723  -9.723
  359    H    LYS  48           H        LYS  48  -4.933  -7.073  -7.073
  360    HA   LYS  48           HA       LYS  48  -6.383  -5.512  -5.512
  361   1HB   LYS  48          2HB       LYS  48  -6.892  -6.141  -6.141
  362   2HB   LYS  48          1HB       LYS  48  -6.691  -4.408  -4.408
  363   1HG   LYS  48          2HG       LYS  48  -8.893  -4.447  -4.447
  364   2HG   LYS  48          1HG       LYS  48  -8.247  -4.892  -4.892
  365   1HD   LYS  48          2HD       LYS  48  -9.967  -6.504  -6.504
  366   2HD   LYS  48          1HD       LYS  48  -8.434  -7.336  -7.336
  367   1HE   LYS  48          2HE       LYS  48  -9.382  -7.983  -7.983
  368   2HE   LYS  48          1HE       LYS  48  -8.656  -6.482  -6.482
  369   1HZ   LYS  48          1HZ       LYS  48 -11.440  -6.619  -6.619
  370   2HZ   LYS  48          2HZ       LYS  48 -11.075  -6.749  -6.749
  371    H    CYS  49           H        CYS  49  -6.125  -2.996  -2.996
  372    HA   CYS  49           HA       CYS  49  -3.246  -2.561  -2.561
  373   1HB   CYS  49          2HB       CYS  49  -3.518  -1.861  -1.861
  374   2HB   CYS  49          1HB       CYS  49  -5.211  -1.463  -1.463
  375    H    TYR  50           H        TYR  50  -3.236  -2.160  -2.160
  376    HA   TYR  50           HA       TYR  50  -5.250  -0.514  -0.514
  377   1HB   TYR  50          2HB       TYR  50  -2.635  -1.919  -1.919
  378   2HB   TYR  50          1HB       TYR  50  -3.260  -0.738  -0.738
  379    HD1  TYR  50           HD2      TYR  50  -4.504  -3.689  -3.689
  380    HD2  TYR  50           HD1      TYR  50  -4.609  -1.517  -1.517
  381    HE1  TYR  50           HE2      TYR  50  -6.034  -5.453  -5.453
  382    HE2  TYR  50           HE1      TYR  50  -6.138  -3.289  -3.289
  383    HH   TYR  50           HH       TYR  50  -7.193  -5.138  -5.138
  384    H    CYS  51           H        CYS  51  -4.375   1.061   1.061
  385    HA   CYS  51           HA       CYS  51  -2.199   2.694   2.694
  386   1HB   CYS  51          2HB       CYS  51  -4.020   2.990   2.990
  387   2HB   CYS  51          1HB       CYS  51  -2.636   4.007   4.007

  Start of MODEL   37
    1    H    ALA   1           H        ALA   1   2.865 -12.149 -12.149
    2    HA   ALA   1           HA       ALA   1   4.891 -11.361 -11.361
    3   1HB   ALA   1          1HB       ALA   1   2.396 -12.939 -12.939
    4   2HB   ALA   1          2HB       ALA   1   2.946 -12.275 -12.275
    5   3HB   ALA   1          3HB       ALA   1   4.029 -13.314 -13.314
    6    H    THR   2           H        THR   2   3.368  -9.037  -9.037
    7    HA   THR   2           HA       THR   2   2.095  -7.834  -7.834
    8    HB   THR   2           HB       THR   2   2.766  -6.397  -6.397
    9    HG1  THR   2          1HG       THR   2   1.593  -7.942  -7.942
   10   1HG2  THR   2          1HG2      THR   2   1.088  -5.828  -5.828
   11   2HG2  THR   2          2HG2      THR   2  -0.024  -6.592  -6.592
   12   3HG2  THR   2          3HG2      THR   2   0.905  -5.149  -5.149
   13    H    TYR   3           H        TYR   3   2.803  -6.000  -6.000
   14    HA   TYR   3           HA       TYR   3   5.717  -5.672  -5.672
   15   1HB   TYR   3          2HB       TYR   3   3.762  -4.784  -4.784
   16   2HB   TYR   3          1HB       TYR   3   5.468  -5.136  -5.136
   17    HD1  TYR   3           HD1      TYR   3   5.288  -7.797  -7.797
   18    HD2  TYR   3           HD2      TYR   3   3.081  -6.231  -6.231
   19    HE1  TYR   3           HE1      TYR   3   4.716 -10.159 -10.159
   20    HE2  TYR   3           HE2      TYR   3   2.517  -8.599  -8.599
   21    HH   TYR   3           HH       TYR   3   2.946 -10.721 -10.721
   22    H    ASN   4           H        ASN   4   6.316  -3.349  -3.349
   23    HA   ASN   4           HA       ASN   4   4.521  -1.381  -1.381
   24   1HB   ASN   4          2HB       ASN   4   7.496  -1.010  -1.010
   25   2HB   ASN   4          1HB       ASN   4   6.172  -0.375  -0.375
   26   1HD2  ASN   4          2HD2      ASN   4   5.584  -3.400  -3.400
   27   2HD2  ASN   4          1HD2      ASN   4   4.771  -2.090  -2.090
   28    H    GLY   5           H        GLY   5   4.848   0.786   0.786
   29   1HA   GLY   5          1HA       GLY   5   6.870   1.324   1.324
   30   2HA   GLY   5          2HA       GLY   5   5.449   0.730   0.730
   31    H    LYS   6           H        LYS   6   4.780   2.663   2.663
   32    HA   LYS   6           HA       LYS   6   3.613   4.581   4.581
   33   1HB   LYS   6          2HB       LYS   6   5.624   5.349   5.349
   34   2HB   LYS   6          1HB       LYS   6   4.594   6.483   6.483
   35   1HG   LYS   6          2HG       LYS   6   5.567   5.693   5.693
   36   2HG   LYS   6          1HG       LYS   6   6.630   4.614   4.614
   37   1HD   LYS   6          2HD       LYS   6   7.247   6.894   6.894
   38   2HD   LYS   6          1HD       LYS   6   6.700   7.621   7.621
   39   1HE   LYS   6          2HE       LYS   6   8.389   6.555   6.555
   40   2HE   LYS   6          1HE       LYS   6   8.661   5.308   5.308
   41   1HZ   LYS   6          1HZ       LYS   6  10.336   6.616   6.616
   42   2HZ   LYS   6          2HZ       LYS   6   9.231   7.642   7.642
   43    H    CYS   7           H        CYS   7   1.803   5.689   5.689
   44    HA   CYS   7           HA       CYS   7   0.967   4.583   4.583
   45   1HB   CYS   7          2HB       CYS   7  -1.332   4.738   4.738
   46   2HB   CYS   7          1HB       CYS   7  -0.384   3.693   3.693
   47    H    TYR   8           H        TYR   8  -0.295   6.096   6.096
   48    HA   TYR   8           HA       TYR   8   0.333   8.896   8.896
   49   1HB   TYR   8          2HB       TYR   8  -0.197   7.489   7.489
   50   2HB   TYR   8          1HB       TYR   8   0.410   9.122   9.122
   51    HD1  TYR   8           HD1      TYR   8   2.255   8.012   8.012
   52    HD2  TYR   8           HD2      TYR   8   1.758   7.077   7.077
   53    HE1  TYR   8           HE1      TYR   8   4.639   7.135   7.135
   54    HE2  TYR   8           HE2      TYR   8   4.144   6.203   6.203
   55    HH   TYR   8           HH       TYR   8   6.280   6.534   6.534
   56    H    LYS   9           H        LYS   9  -1.287  10.447  10.447
   57    HA   LYS   9           HA       LYS   9  -3.962   9.417   9.417
   58   1HB   LYS   9          2HB       LYS   9  -4.577  11.705  11.705
   59   2HB   LYS   9          1HB       LYS   9  -3.263  11.123  11.123
   60   1HG   LYS   9          2HG       LYS   9  -2.414  13.210  13.210
   61   2HG   LYS   9          1HG       LYS   9  -1.731  12.249  12.249
   62   1HD   LYS   9          2HD       LYS   9  -2.687  13.917  13.917
   63   2HD   LYS   9          1HD       LYS   9  -4.069  12.842  12.842
   64   1HE   LYS   9          2HE       LYS   9  -5.246  14.237  14.237
   65   2HE   LYS   9          1HE       LYS   9  -3.809  14.762  14.762
   66   1HZ   LYS   9          1HZ       LYS   9  -3.790  15.660  15.660
   67   2HZ   LYS   9          2HZ       LYS   9  -5.122  16.188  16.188
   68    H    LYS  10           H        LYS  10  -1.975  11.582  11.582
   69    HA   LYS  10           HA       LYS  10  -3.944  12.256  12.256
   70   1HB   LYS  10          2HB       LYS  10  -1.251  12.733  12.733
   71   2HB   LYS  10          1HB       LYS  10  -1.283  11.769  11.769
   72   1HG   LYS  10          2HG       LYS  10  -2.689  13.311  13.311
   73   2HG   LYS  10          1HG       LYS  10  -3.252  14.052  14.052
   74   1HD   LYS  10          2HD       LYS  10  -1.643  15.632  15.632
   75   2HD   LYS  10          1HD       LYS  10  -0.427  14.391  14.391
   76   1HE   LYS  10          2HE       LYS  10   0.257  14.752  14.752
   77   2HE   LYS  10          1HE       LYS  10  -1.257  14.063  14.063
   78   1HZ   LYS  10          1HZ       LYS  10  -1.946  16.609  16.609
   79   2HZ   LYS  10          2HZ       LYS  10  -0.462  16.824  16.824
   80    H    ASP  11           H        ASP  11  -1.951   9.278   9.278
   81    HA   ASP  11           HA       ASP  11  -3.367   8.257   8.257
   82   1HB   ASP  11          2HB       ASP  11  -0.891   7.381   7.381
   83   2HB   ASP  11          1HB       ASP  11  -1.687   6.280   6.280
   84    HD1  ASP  11          2HD       ASP  11  -0.724   9.305   9.305
   85    H    ASN  12           H        ASN  12  -3.617   8.435   8.435
   86    HA   ASN  12           HA       ASN  12  -4.443   7.184   7.184
   87   1HB   ASN  12          2HB       ASN  12  -6.405   7.816   7.816
   88   2HB   ASN  12          1HB       ASN  12  -6.489   6.078   6.078
   89   1HD2  ASN  12          2HD2      ASN  12  -8.705   5.908   5.908
   90   2HD2  ASN  12          1HD2      ASN  12  -8.353   5.634   5.634
   91    H    ILE  13           H        ILE  13  -2.293   5.768   5.768
   92    HA   ILE  13           HA       ILE  13  -3.285   3.018   3.018
   93    HB   ILE  13           HB       ILE  13  -1.391   2.490   2.490
   94   1HG1  ILE  13          2HG1      ILE  13  -0.939   4.492   4.492
   95   2HG1  ILE  13          3HG1      ILE  13  -1.422   5.496   5.496
   96   1HG2  ILE  13          3HG2      ILE  13  -4.062   3.499   3.499
   97   2HG2  ILE  13          1HG2      ILE  13  -2.987   3.824   3.824
   98   3HG2  ILE  13          2HG2      ILE  13  -3.186   2.160   2.160
   99   1HD1  ILE  13          3HD1      ILE  13   0.351   3.560   3.560
  100   2HD1  ILE  13          1HD1      ILE  13   1.092   4.103   4.103
  101   3HD1  ILE  13          2HD1      ILE  13   0.673   5.291   5.291
  102    H    CYS  14           H        CYS  14  -1.733   1.467   1.467
  103    HA   CYS  14           HA       CYS  14   0.008   2.823   2.823
  104   1HB   CYS  14          2HB       CYS  14  -1.542   1.469   1.469
  105   2HB   CYS  14          1HB       CYS  14  -1.362   0.144   0.144
  106    H    LYS  15           H        LYS  15   2.085   3.008   3.008
  107    HA   LYS  15           HA       LYS  15   3.054   0.922   0.922
  108   1HB   LYS  15          2HB       LYS  15   3.185   3.562   3.562
  109   2HB   LYS  15          1HB       LYS  15   4.633   3.375   3.375
  110   1HG   LYS  15          2HG       LYS  15   4.330   1.381   1.381
  111   2HG   LYS  15          1HG       LYS  15   4.539   3.038   3.038
  112   1HD   LYS  15          2HD       LYS  15   6.402   2.480   2.480
  113   2HD   LYS  15          1HD       LYS  15   6.553   1.238   1.238
  114   1HE   LYS  15          2HE       LYS  15   6.314   3.828   3.828
  115   2HE   LYS  15          1HE       LYS  15   7.568   3.917   3.917
  116   1HZ   LYS  15          1HZ       LYS  15   8.241   1.619   1.619
  117   2HZ   LYS  15          2HZ       LYS  15   7.480   2.238   2.238
  118    H    TYR  16           H        TYR  16   4.523  -0.602  -0.602
  119    HA   TYR  16           HA       TYR  16   6.320  -0.151  -0.151
  120   1HB   TYR  16          2HB       TYR  16   5.289  -2.039  -2.039
  121   2HB   TYR  16          1HB       TYR  16   4.226  -0.650  -0.650
  122    HD1  TYR  16           HD1      TYR  16   2.600  -0.757  -0.757
  123    HD2  TYR  16           HD2      TYR  16   4.329  -4.125  -4.125
  124    HE1  TYR  16           HE1      TYR  16   0.759  -2.253  -2.253
  125    HE2  TYR  16           HE2      TYR  16   2.482  -5.609  -5.609
  126    HH   TYR  16           HH       TYR  16  -0.309  -4.532  -4.532
  127    H    LYS  17           H        LYS  17   7.788  -2.021  -2.021
  128    HA   LYS  17           HA       LYS  17   8.555  -3.138  -3.138
  129   1HB   LYS  17          2HB       LYS  17   9.275  -3.509  -3.509
  130   2HB   LYS  17          1HB       LYS  17   9.777  -4.760  -4.760
  131   1HG   LYS  17          2HG       LYS  17  10.384  -1.777  -1.777
  132   2HG   LYS  17          1HG       LYS  17  11.529  -3.028  -3.028
  133   1HD   LYS  17          2HD       LYS  17  10.677  -4.089  -4.089
  134   2HD   LYS  17          1HD       LYS  17  10.330  -2.407  -2.407
  135   1HE   LYS  17          2HE       LYS  17  12.695  -1.805  -1.805
  136   2HE   LYS  17          1HE       LYS  17  13.038  -3.493  -3.493
  137   1HZ   LYS  17          1HZ       LYS  17  12.014  -2.588  -2.588
  138   2HZ   LYS  17          2HZ       LYS  17  13.608  -2.678  -2.678
  139    H    ALA  18           H        ALA  18   8.207  -5.596  -5.596
  140    HA   ALA  18           HA       ALA  18   5.844  -6.729  -6.729
  141   1HB   ALA  18          2HB       ALA  18   7.344  -6.991  -6.991
  142   2HB   ALA  18          3HB       ALA  18   6.336  -8.350  -8.350
  143   3HB   ALA  18          1HB       ALA  18   5.604  -6.749  -6.749
  144    H    GLN  19           H        GLN  19   5.848  -9.098  -9.098
  145    HA   GLN  19           HA       GLN  19   7.802  -9.710  -9.710
  146   1HB   GLN  19          2HB       GLN  19   5.445 -10.753 -10.753
  147   2HB   GLN  19          1HB       GLN  19   6.252 -11.837 -11.837
  148   1HG   GLN  19          2HG       GLN  19   7.419 -12.943 -12.943
  149   2HG   GLN  19          1HG       GLN  19   7.523 -11.521 -11.521
  150   1HE2  GLN  19          2HE2      GLN  19   5.234 -13.304 -13.304
  151   2HE2  GLN  19          1HE2      GLN  19   6.899 -12.918 -12.918
  152    H    SER  20           H        SER  20   7.915  -9.829  -9.829
  153    HA   SER  20           HA       SER  20  10.529 -11.035 -11.035
  154   1HB   SER  20          2HB       SER  20   9.726 -12.229 -12.229
  155   2HB   SER  20          1HB       SER  20   9.664 -13.016 -13.016
  156    HG   SER  20           HG       SER  20   7.635 -13.093 -13.093
  157    H    GLY  21           H        GLY  21   9.063  -8.346  -8.346
  158   1HA   GLY  21          1HA       GLY  21   9.394  -6.553  -6.553
  159   2HA   GLY  21          2HA       GLY  21  10.862  -7.323  -7.323
  160    H    LYS  22           H        LYS  22   7.773  -9.015  -9.015
  161    HA   LYS  22           HA       LYS  22   8.085  -8.790  -8.790
  162   1HB   LYS  22          2HB       LYS  22   7.713 -10.973 -10.973
  163   2HB   LYS  22          1HB       LYS  22   6.038 -10.469 -10.469
  164   1HG   LYS  22          2HG       LYS  22   6.404 -10.075 -10.075
  165   2HG   LYS  22          1HG       LYS  22   7.644 -11.289 -11.289
  166   1HD   LYS  22          2HD       LYS  22   5.688 -12.551 -12.551
  167   2HD   LYS  22          1HD       LYS  22   4.654 -11.534 -11.534
  168   1HE   LYS  22          2HE       LYS  22   6.801 -12.747 -12.747
  169   2HE   LYS  22          1HE       LYS  22   5.852 -13.969 -13.969
  170   1HZ   LYS  22          1HZ       LYS  22   3.891 -13.210 -13.210
  171   2HZ   LYS  22          2HZ       LYS  22   4.532 -11.782 -11.782
  172    H    THR  23           H        THR  23   5.731  -8.050  -8.050
  173    HA   THR  23           HA       THR  23   3.772  -7.008  -7.008
  174    HB   THR  23           HB       THR  23   4.035  -7.708  -7.708
  175    HG1  THR  23          1HG       THR  23   1.707  -7.253  -7.253
  176   1HG2  THR  23          3HG2      THR  23   4.527  -5.036  -5.036
  177   2HG2  THR  23          1HG2      THR  23   2.755  -4.983  -4.983
  178   3HG2  THR  23          2HG2      THR  23   3.498  -5.828  -5.828
  179    H    ALA  24           H        ALA  24   2.986  -4.571  -4.571
  180    HA   ALA  24           HA       ALA  24   4.798  -2.612  -2.612
  181   1HB   ALA  24          3HB       ALA  24   5.082  -3.739  -3.739
  182   2HB   ALA  24          1HB       ALA  24   4.910  -1.968  -1.968
  183   3HB   ALA  24          2HB       ALA  24   6.220  -2.763  -2.763
  184    H    ILE  25           H        ILE  25   3.462  -0.961  -0.961
  185    HA   ILE  25           HA       ILE  25   1.697   0.362   0.362
  186    HB   ILE  25           HB       ILE  25   1.310  -0.252  -0.252
  187   1HG1  ILE  25          2HG1      ILE  25   3.079   1.950   1.950
  188   2HG1  ILE  25          3HG1      ILE  25   3.718   0.343   0.343
  189   1HG2  ILE  25          1HG2      ILE  25   0.503   2.016   2.016
  190   2HG2  ILE  25          2HG2      ILE  25   0.618   2.217   2.217
  191   3HG2  ILE  25          3HG2      ILE  25  -0.508   1.023   1.023
  192   1HD1  ILE  25          1HD1      ILE  25   2.800   0.452   0.452
  193   2HD1  ILE  25          2HD1      ILE  25   2.357   2.147   2.147
  194   3HD1  ILE  25          3HD1      ILE  25   4.067   1.654   1.654
  195    H    CYS  26           H        CYS  26  -0.506   0.266   0.266
  196    HA   CYS  26           HA       CYS  26  -2.064  -1.938  -1.938
  197   1HB   CYS  26          2HB       CYS  26  -0.905  -3.131  -3.131
  198   2HB   CYS  26          1HB       CYS  26  -1.147  -1.842  -1.842
  199    H    LYS  27           H        LYS  27  -3.756  -0.609  -0.609
  200    HA   LYS  27           HA       LYS  27  -4.449   1.814   1.814
  201   1HB   LYS  27          2HB       LYS  27  -5.568   0.685   0.685
  202   2HB   LYS  27          1HB       LYS  27  -6.297  -0.475  -0.475
  203   1HG   LYS  27          2HG       LYS  27  -7.653   1.249   1.249
  204   2HG   LYS  27          1HG       LYS  27  -6.778   2.527   2.527
  205   1HD   LYS  27          2HD       LYS  27  -9.092   1.831   1.831
  206   2HD   LYS  27          1HD       LYS  27  -7.769   2.052   2.052
  207   1HE   LYS  27          2HE       LYS  27  -7.488  -0.271  -0.271
  208   2HE   LYS  27          1HE       LYS  27  -8.228  -0.695  -0.695
  209   1HZ   LYS  27          1HZ       LYS  27  -9.761  -1.143  -1.143
  210   2HZ   LYS  27          2HZ       LYS  27 -10.376   0.083   0.083
  211    H    CYS  28           H        CYS  28  -5.908   2.768   2.768
  212    HA   CYS  28           HA       CYS  28  -5.811   1.301   1.301
  213   1HB   CYS  28          2HB       CYS  28  -5.546   4.042   4.042
  214   2HB   CYS  28          1HB       CYS  28  -6.931   3.906   3.906
  215    H    TYR  29           H        TYR  29  -7.548  -0.138  -0.138
  216    HA   TYR  29           HA       TYR  29 -10.131   0.774   0.774
  217   1HB   TYR  29          2HB       TYR  29 -10.282  -1.513  -1.513
  218   2HB   TYR  29          1HB       TYR  29  -8.618  -1.641  -1.641
  219    HD1  TYR  29           HD1      TYR  29  -8.096  -2.286  -2.286
  220    HD2  TYR  29           HD2      TYR  29 -12.110  -2.244  -2.244
  221    HE1  TYR  29           HE1      TYR  29  -8.844  -3.711  -3.711
  222    HE2  TYR  29           HE2      TYR  29 -12.845  -3.669  -3.669
  223    HH   TYR  29           HH       TYR  29 -10.745  -5.356  -5.356
  224    H    VAL  30           H        VAL  30  -8.564   1.547   1.547
  225    HA   VAL  30           HA       VAL  30 -10.847   0.964   0.964
  226    HB   VAL  30           HB       VAL  30  -9.026   1.525   1.525
  227   1HG1  VAL  30          3HG1      VAL  30  -9.781  -0.949  -0.949
  228   2HG1  VAL  30          1HG1      VAL  30  -8.194  -1.050  -1.050
  229   3HG1  VAL  30          2HG1      VAL  30  -9.638  -0.603  -0.603
  230   1HG2  VAL  30          3HG2      VAL  30  -7.414   2.080   2.080
  231   2HG2  VAL  30          1HG2      VAL  30  -6.798   1.294   1.294
  232   3HG2  VAL  30          2HG2      VAL  30  -7.137   0.322   0.322
  233    H    LYS  31           H        LYS  31  -8.398   3.232   3.232
  234    HA   LYS  31           HA       LYS  31 -10.302   5.398   5.398
  235   1HB   LYS  31          2HB       LYS  31  -9.200   4.548   4.548
  236   2HB   LYS  31          1HB       LYS  31  -8.196   5.919   5.919
  237   1HG   LYS  31          2HG       LYS  31 -10.436   7.167   7.167
  238   2HG   LYS  31          1HG       LYS  31 -11.217   5.857   5.857
  239   1HD   LYS  31          2HD       LYS  31  -8.857   7.085   7.085
  240   2HD   LYS  31          1HD       LYS  31 -10.263   8.119   8.119
  241   1HE   LYS  31          2HE       LYS  31 -11.619   6.063   6.063
  242   2HE   LYS  31          1HE       LYS  31 -10.061   5.431   5.431
  243   1HZ   LYS  31          1HZ       LYS  31  -9.915   6.961   6.961
  244   2HZ   LYS  31          2HZ       LYS  31 -10.486   8.192   8.192
  245    H    LYS  32           H        LYS  32  -9.754   6.930   6.930
  246    HA   LYS  32           HA       LYS  32  -7.697   6.779   6.779
  247   1HB   LYS  32          2HB       LYS  32  -9.630   8.335   8.335
  248   2HB   LYS  32          1HB       LYS  32  -8.877   9.359   9.359
  249   1HG   LYS  32          2HG       LYS  32  -6.785   9.149   9.149
  250   2HG   LYS  32          1HG       LYS  32  -8.093   8.899   8.899
  251   1HD   LYS  32          2HD       LYS  32  -7.457  11.315  11.315
  252   2HD   LYS  32          1HD       LYS  32  -9.136  11.026  11.026
  253   1HE   LYS  32          2HE       LYS  32  -8.780  11.354  11.354
  254   2HE   LYS  32          1HE       LYS  32  -7.083  10.926  10.926
  255   1HZ   LYS  32          1HZ       LYS  32  -8.337  13.466  13.466
  256   2HZ   LYS  32          2HZ       LYS  32  -7.113  13.257  13.257
  257    H    CYS  33           H        CYS  33  -5.576   7.688   7.688
  258    HA   CYS  33           HA       CYS  33  -4.094   7.542   7.542
  259   1HB   CYS  33          2HB       CYS  33  -3.031   8.709   8.709
  260   2HB   CYS  33          1HB       CYS  33  -2.186   7.793   7.793
  261    HA   PRO  34           HA       PRO  34  -4.271  11.751  11.751
  262   1HB   PRO  34          2HB       PRO  34  -2.052  11.973  11.973
  263   2HB   PRO  34          1HB       PRO  34  -3.565  11.292  11.292
  264   1HG   PRO  34          2HG       PRO  34  -1.060   9.898   9.898
  265   2HG   PRO  34          1HG       PRO  34  -2.411   9.309   9.309
  266   1HD   PRO  34          2HD       PRO  34  -1.811   8.648   8.648
  267   2HD   PRO  34          1HD       PRO  34  -3.222   8.152   8.152
  268    H    ARG  35           H        ARG  35  -0.999  10.788  10.788
  269    HA   ARG  35           HA       ARG  35  -1.004  12.670  12.670
  270   1HB   ARG  35          2HB       ARG  35   0.751  14.204  14.204
  271   2HB   ARG  35          1HB       ARG  35  -0.663  14.269  14.269
  272   1HG   ARG  35          2HG       ARG  35   0.949  12.168  12.168
  273   2HG   ARG  35          1HG       ARG  35   2.063  13.467  13.467
  274   1HD   ARG  35          2HD       ARG  35   0.270  15.009  15.009
  275   2HD   ARG  35          1HD       ARG  35  -0.302  13.506  13.506
  276    HE   ARG  35           HE       ARG  35   2.547  13.623  13.623
  277   1HH1  ARG  35          2HH2      ARG  35  -0.378  15.160  15.160
  278   2HH1  ARG  35          1HH2      ARG  35   0.345  15.552  15.552
  279    HH2  ARG  35          1HH       ARG  35   2.626  14.944  14.944
  280    H    ASP  36           H        ASP  36   0.773  12.271  12.271
  281    HA   ASP  36           HA       ASP  36   1.802   9.872   9.872
  282   1HB   ASP  36          2HB       ASP  36   3.114  10.751  10.751
  283   2HB   ASP  36          1HB       ASP  36   2.214  12.216  12.216
  284    HD2  ASP  36          2HD       ASP  36   4.954  13.909  13.909
  285    H    GLY  37           H        GLY  37   3.231   8.587   8.587
  286   1HA   GLY  37          1HA       GLY  37   5.374   8.373   8.373
  287   2HA   GLY  37          2HA       GLY  37   5.164   9.960   9.960
  288    H    ALA  38           H        ALA  38   2.178   9.303   9.303
  289    HA   ALA  38           HA       ALA  38   2.251   8.729   8.729
  290   1HB   ALA  38          1HB       ALA  38   0.276   9.420   9.420
  291   2HB   ALA  38          2HB       ALA  38   0.117   7.720   7.720
  292   3HB   ALA  38          3HB       ALA  38  -0.090   8.164   8.164
  293    H    LYS  39           H        LYS  39   3.089   7.081   7.081
  294    HA   LYS  39           HA       LYS  39   3.985   4.721   4.721
  295   1HB   LYS  39          2HB       LYS  39   4.876   5.693   5.693
  296   2HB   LYS  39          1HB       LYS  39   3.374   5.332   5.332
  297   1HG   LYS  39          2HG       LYS  39   3.786   2.858   2.858
  298   2HG   LYS  39          1HG       LYS  39   5.433   3.384   3.384
  299   1HD   LYS  39          2HD       LYS  39   4.663   4.357   4.357
  300   2HD   LYS  39          1HD       LYS  39   4.189   2.672   2.672
  301   1HE   LYS  39          2HE       LYS  39   6.676   2.485   2.485
  302   2HE   LYS  39          1HE       LYS  39   6.933   3.882   3.882
  303   1HZ   LYS  39          1HZ       LYS  39   7.049   2.496   2.496
  304   2HZ   LYS  39          2HZ       LYS  39   5.533   1.956   1.956
  305    H    CYS  40           H        CYS  40   3.204   2.536   2.536
  306    HA   CYS  40           HA       CYS  40   0.565   2.094   2.094
  307   1HB   CYS  40          2HB       CYS  40  -0.131   3.061   3.061
  308   2HB   CYS  40          1HB       CYS  40   1.061   2.163   2.163
  309    H    GLU  41           H        GLU  41   0.009  -0.309  -0.309
  310    HA   GLU  41           HA       GLU  41   2.365  -1.881  -1.881
  311   1HB   GLU  41          2HB       GLU  41   1.504  -3.286  -3.286
  312   2HB   GLU  41          1HB       GLU  41   2.725  -2.035  -2.035
  313   1HG   GLU  41          2HG       GLU  41  -0.247  -1.435  -1.435
  314   2HG   GLU  41          1HG       GLU  41   0.760  -1.898  -1.898
  315    HE1  GLU  41          2HE       GLU  41   2.758   0.596   0.596
  316    H    PHE  42           H        PHE  42   1.897  -3.881  -3.881
  317    HA   PHE  42           HA       PHE  42  -0.925  -4.255  -4.255
  318   1HB   PHE  42          2HB       PHE  42   0.738  -4.126  -4.126
  319   2HB   PHE  42          1HB       PHE  42   1.750  -5.326  -5.326
  320    HD1  PHE  42          1HD       PHE  42   0.910  -7.700  -7.700
  321    HD2  PHE  42          2HD       PHE  42  -1.014  -4.770  -4.770
  322    HE1  PHE  42          1HE       PHE  42  -0.246  -9.514  -9.514
  323    HE2  PHE  42          2HE       PHE  42  -2.171  -6.584  -6.584
  324    HZ   PHE  42           HZ       PHE  42  -1.773  -8.935  -8.935
  325    H    ASP  43           H        ASP  43  -2.090  -5.742  -5.742
  326    HA   ASP  43           HA       ASP  43  -0.681  -7.600  -7.600
  327   1HB   ASP  43          2HB       ASP  43  -3.585  -6.865  -6.865
  328   2HB   ASP  43          1HB       ASP  43  -3.205  -8.342  -8.342
  329    HD2  ASP  43          2HD       ASP  43  -4.241  -7.120  -7.120
  330    H    SER  44           H        SER  44  -0.520  -9.860  -9.860
  331    HA   SER  44           HA       SER  44  -1.405 -10.669 -10.669
  332   1HB   SER  44          2HB       SER  44   0.244 -12.369 -12.369
  333   2HB   SER  44          1HB       SER  44   0.999 -10.992 -10.992
  334    HG   SER  44           HG       SER  44   0.214 -11.956 -11.956
  335    H    TYR  45           H        TYR  45  -2.956 -10.430 -10.430
  336    HA   TYR  45           HA       TYR  45  -3.778 -13.168 -13.168
  337   1HB   TYR  45          2HB       TYR  45  -5.093 -10.610 -10.610
  338   2HB   TYR  45          1HB       TYR  45  -4.945 -12.146 -12.146
  339    HD1  TYR  45           HD1      TYR  45  -1.878 -12.401 -12.401
  340    HD2  TYR  45           HD2      TYR  45  -4.240  -9.362  -9.362
  341    HE1  TYR  45           HE1      TYR  45   0.181 -11.539 -11.539
  342    HE2  TYR  45           HE2      TYR  45  -2.174  -8.511  -8.511
  343    HH   TYR  45           HH       TYR  45   0.466 -10.195 -10.195
  344    H    LYS  46           H        LYS  46  -4.959 -10.182 -10.182
  345    HA   LYS  46           HA       LYS  46  -7.146 -11.792 -11.792
  346   1HB   LYS  46          2HB       LYS  46  -7.422  -8.950  -8.950
  347   2HB   LYS  46          1HB       LYS  46  -8.670  -9.883  -9.883
  348   1HG   LYS  46          2HG       LYS  46  -8.214 -11.666 -11.666
  349   2HG   LYS  46          1HG       LYS  46  -7.446 -10.335 -10.335
  350   1HD   LYS  46          2HD       LYS  46 -10.002  -9.453  -9.453
  351   2HD   LYS  46          1HD       LYS  46 -10.237 -10.918 -10.918
  352   1HE   LYS  46          2HE       LYS  46  -8.715  -9.724  -9.724
  353   2HE   LYS  46          1HE       LYS  46  -9.101  -8.259  -8.259
  354   1HZ   LYS  46          1HZ       LYS  46 -11.100 -10.121 -10.121
  355   2HZ   LYS  46          2HZ       LYS  46 -10.721  -8.649  -8.649
  356    H    GLY  47           H        GLY  47  -5.079  -8.837  -8.837
  357   1HA   GLY  47          1HA       GLY  47  -3.803  -8.618  -8.618
  358   2HA   GLY  47          2HA       GLY  47  -5.229  -9.117  -9.117
  359    H    LYS  48           H        LYS  48  -5.785  -7.094  -7.094
  360    HA   LYS  48           HA       LYS  48  -6.942  -5.075  -5.075
  361   1HB   LYS  48          2HB       LYS  48  -6.324  -5.203  -5.203
  362   2HB   LYS  48          1HB       LYS  48  -7.240  -3.920  -3.920
  363   1HG   LYS  48          2HG       LYS  48  -8.785  -5.769  -5.769
  364   2HG   LYS  48          1HG       LYS  48  -7.968  -6.877  -6.877
  365   1HD   LYS  48          2HD       LYS  48  -8.529  -5.024  -5.024
  366   2HD   LYS  48          1HD       LYS  48  -9.749  -4.528  -4.528
  367   1HE   LYS  48          2HE       LYS  48 -10.965  -6.523  -6.523
  368   2HE   LYS  48          1HE       LYS  48  -9.556  -7.468  -7.468
  369   1HZ   LYS  48          1HZ       LYS  48 -10.870  -5.474  -5.474
  370   2HZ   LYS  48          2HZ       LYS  48 -10.988  -7.090  -7.090
  371    H    CYS  49           H        CYS  49  -6.160  -2.661  -2.661
  372    HA   CYS  49           HA       CYS  49  -3.293  -2.510  -2.510
  373   1HB   CYS  49          2HB       CYS  49  -3.693  -1.935  -1.935
  374   2HB   CYS  49          1HB       CYS  49  -5.329  -1.393  -1.393
  375    H    TYR  50           H        TYR  50  -3.162  -2.043  -2.043
  376    HA   TYR  50           HA       TYR  50  -4.841  -0.171  -0.171
  377   1HB   TYR  50          2HB       TYR  50  -2.086  -1.445  -1.445
  378   2HB   TYR  50          1HB       TYR  50  -2.714  -0.292  -0.292
  379    HD1  TYR  50           HD2      TYR  50  -3.541  -3.530  -3.530
  380    HD2  TYR  50           HD1      TYR  50  -4.154  -0.998  -0.998
  381    HE1  TYR  50           HE2      TYR  50  -4.821  -5.391  -5.391
  382    HE2  TYR  50           HE1      TYR  50  -5.431  -2.868  -2.868
  383    HH   TYR  50           HH       TYR  50  -5.950  -5.979  -5.979
  384    H    CYS  51           H        CYS  51  -4.634   1.485   1.485
  385    HA   CYS  51           HA       CYS  51  -2.184   2.940   2.940
  386   1HB   CYS  51          2HB       CYS  51  -4.834   3.873   3.873
  387   2HB   CYS  51          1HB       CYS  51  -3.223   4.323   4.323

  Start of MODEL   38
    1    H    ALA   1           H        ALA   1   4.076 -11.692 -11.692
    2    HA   ALA   1           HA       ALA   1   5.288 -10.858 -10.858
    3   1HB   ALA   1          1HB       ALA   1   2.869 -12.625 -12.625
    4   2HB   ALA   1          2HB       ALA   1   3.510 -12.193 -12.193
    5   3HB   ALA   1          3HB       ALA   1   4.553 -13.020 -13.020
    6    H    THR   2           H        THR   2   4.004  -8.486  -8.486
    7    HA   THR   2           HA       THR   2   2.282  -7.708  -7.708
    8    HB   THR   2           HB       THR   2   2.889  -5.879  -5.879
    9    HG1  THR   2          1HG       THR   2   1.237  -8.303  -8.303
   10   1HG2  THR   2          2HG2      THR   2   0.867  -6.117  -6.117
   11   2HG2  THR   2          3HG2      THR   2   0.108  -6.707  -6.707
   12   3HG2  THR   2          1HG2      THR   2   0.812  -5.074  -5.074
   13    H    TYR   3           H        TYR   3   3.060  -6.664  -6.664
   14    HA   TYR   3           HA       TYR   3   5.799  -5.765  -5.765
   15   1HB   TYR   3          2HB       TYR   3   3.538  -5.646  -5.646
   16   2HB   TYR   3          1HB       TYR   3   5.229  -5.354  -5.354
   17    HD1  TYR   3           HD1      TYR   3   6.385  -7.618  -7.618
   18    HD2  TYR   3           HD2      TYR   3   3.152  -7.501  -7.501
   19    HE1  TYR   3           HE1      TYR   3   6.706 -10.093 -10.093
   20    HE2  TYR   3           HE2      TYR   3   3.484  -9.977  -9.977
   21    HH   TYR   3           HH       TYR   3   5.212 -11.973 -11.973
   22    H    ASN   4           H        ASN   4   6.446  -3.731  -3.731
   23    HA   ASN   4           HA       ASN   4   4.428  -1.746  -1.746
   24   1HB   ASN   4          2HB       ASN   4   7.370  -1.082  -1.082
   25   2HB   ASN   4          1HB       ASN   4   6.071  -0.556  -0.556
   26   1HD2  ASN   4          2HD2      ASN   4   5.918  -4.020  -4.020
   27   2HD2  ASN   4          1HD2      ASN   4   4.876  -3.076  -3.076
   28    H    GLY   5           H        GLY   5   4.757   0.511   0.511
   29   1HA   GLY   5          1HA       GLY   5   6.491   0.965   0.965
   30   2HA   GLY   5          2HA       GLY   5   4.970   0.368   0.368
   31    H    LYS   6           H        LYS   6   4.568   2.458   2.458
   32    HA   LYS   6           HA       LYS   6   3.443   4.341   4.341
   33   1HB   LYS   6          2HB       LYS   6   5.227   5.247   5.247
   34   2HB   LYS   6          1HB       LYS   6   4.492   6.240   6.240
   35   1HG   LYS   6          2HG       LYS   6   5.832   5.109   5.109
   36   2HG   LYS   6          1HG       LYS   6   6.509   4.015   4.015
   37   1HD   LYS   6          2HD       LYS   6   7.421   6.073   6.073
   38   2HD   LYS   6          1HD       LYS   6   6.914   7.037   7.037
   39   1HE   LYS   6          2HE       LYS   6   8.307   5.001   5.001
   40   2HE   LYS   6          1HE       LYS   6   9.199   5.141   5.141
   41   1HZ   LYS   6          1HZ       LYS   6   9.785   7.326   7.326
   42   2HZ   LYS   6          2HZ       LYS   6   8.529   7.596   7.596
   43    H    CYS   7           H        CYS   7   1.825   5.796   5.796
   44    HA   CYS   7           HA       CYS   7   0.815   4.678   4.678
   45   1HB   CYS   7          2HB       CYS   7  -1.487   5.401   5.401
   46   2HB   CYS   7          1HB       CYS   7  -0.807   3.795   3.795
   47    H    TYR   8           H        TYR   8  -0.359   6.275   6.275
   48    HA   TYR   8           HA       TYR   8   0.339   9.034   9.034
   49   1HB   TYR   8          2HB       TYR   8  -0.065   7.612   7.612
   50   2HB   TYR   8          1HB       TYR   8   0.360   9.304   9.304
   51    HD1  TYR   8           HD2      TYR   8   2.201   8.262   8.262
   52    HD2  TYR   8           HD1      TYR   8   2.009   7.571   7.571
   53    HE1  TYR   8           HE2      TYR   8   4.667   7.643   7.643
   54    HE2  TYR   8           HE1      TYR   8   4.476   6.955   6.955
   55    HH   TYR   8           HH       TYR   8   6.535   7.754   7.754
   56    H    LYS   9           H        LYS   9  -1.200  10.693  10.693
   57    HA   LYS   9           HA       LYS   9  -3.917   9.723   9.723
   58   1HB   LYS   9          2HB       LYS   9  -4.477  12.039  12.039
   59   2HB   LYS   9          1HB       LYS   9  -3.242  11.391  11.391
   60   1HG   LYS   9          2HG       LYS   9  -2.166  13.362  13.362
   61   2HG   LYS   9          1HG       LYS   9  -1.628  12.470  12.470
   62   1HD   LYS   9          2HD       LYS   9  -2.508  14.594  14.594
   63   2HD   LYS   9          1HD       LYS   9  -3.635  13.346  13.346
   64   1HE   LYS   9          2HE       LYS   9  -5.315  14.196  14.196
   65   2HE   LYS   9          1HE       LYS   9  -4.269  14.374  14.374
   66   1HZ   LYS   9          1HZ       LYS   9  -3.635  16.274  16.274
   67   2HZ   LYS   9          2HZ       LYS   9  -5.183  16.423  16.423
   68    H    LYS  10           H        LYS  10  -1.778  11.797  11.797
   69    HA   LYS  10           HA       LYS  10  -3.716  12.500  12.500
   70   1HB   LYS  10          2HB       LYS  10  -0.935  12.870  12.870
   71   2HB   LYS  10          1HB       LYS  10  -1.117  12.207  12.207
   72   1HG   LYS  10          2HG       LYS  10  -2.326  14.035  14.035
   73   2HG   LYS  10          1HG       LYS  10  -3.065  14.354  14.354
   74   1HD   LYS  10          2HD       LYS  10  -0.683  15.056  15.056
   75   2HD   LYS  10          1HD       LYS  10  -0.246  15.064  15.064
   76   1HE   LYS  10          2HE       LYS  10  -2.564  16.527  16.527
   77   2HE   LYS  10          1HE       LYS  10  -2.034  16.932  16.932
   78   1HZ   LYS  10          1HZ       LYS  10  -0.033  17.827  17.827
   79   2HZ   LYS  10          2HZ       LYS  10  -0.156  17.094  17.094
   80    H    ASP  11           H        ASP  11  -2.043   9.468   9.468
   81    HA   ASP  11           HA       ASP  11  -3.125   8.474   8.474
   82   1HB   ASP  11          2HB       ASP  11  -0.655   7.898   7.898
   83   2HB   ASP  11          1HB       ASP  11  -1.454   6.477   6.477
   84    HD2  ASP  11          2HD       ASP  11   1.072   8.457   8.457
   85    H    ASN  12           H        ASN  12  -3.477   8.588   8.588
   86    HA   ASN  12           HA       ASN  12  -4.416   7.321   7.321
   87   1HB   ASN  12          2HB       ASN  12  -6.286   8.102   8.102
   88   2HB   ASN  12          1HB       ASN  12  -6.486   6.369   6.369
   89   1HD2  ASN  12          2HD2      ASN  12  -8.520   6.104   6.104
   90   2HD2  ASN  12          1HD2      ASN  12  -8.038   5.591   5.591
   91    H    ILE  13           H        ILE  13  -2.344   5.807   5.807
   92    HA   ILE  13           HA       ILE  13  -3.492   3.133   3.133
   93    HB   ILE  13           HB       ILE  13  -1.532   2.546   2.546
   94   1HG1  ILE  13          2HG1      ILE  13  -0.640   4.664   4.664
   95   2HG1  ILE  13          3HG1      ILE  13  -1.073   5.508   5.508
   96   1HG2  ILE  13          2HG2      ILE  13  -3.979   3.818   3.818
   97   2HG2  ILE  13          3HG2      ILE  13  -2.732   4.416   4.416
   98   3HG2  ILE  13          1HG2      ILE  13  -3.019   2.667   2.667
   99   1HD1  ILE  13          3HD1      ILE  13   0.288   3.075   3.075
  100   2HD1  ILE  13          1HD1      ILE  13   1.253   3.909   3.909
  101   3HD1  ILE  13          2HD1      ILE  13   0.809   4.757   4.757
  102    H    CYS  14           H        CYS  14  -1.630   1.449   1.449
  103    HA   CYS  14           HA       CYS  14  -0.162   2.556   2.556
  104   1HB   CYS  14          2HB       CYS  14  -2.229   0.579   0.579
  105   2HB   CYS  14          1HB       CYS  14  -0.721  -0.197  -0.197
  106    H    LYS  15           H        LYS  15   1.937   2.584   2.584
  107    HA   LYS  15           HA       LYS  15   2.789   0.323   0.323
  108   1HB   LYS  15          2HB       LYS  15   4.521   1.704   1.704
  109   2HB   LYS  15          1HB       LYS  15   3.094   2.720   2.720
  110   1HG   LYS  15          2HG       LYS  15   3.822   3.866   3.866
  111   2HG   LYS  15          1HG       LYS  15   5.005   2.633   2.633
  112   1HD   LYS  15          2HD       LYS  15   5.849   4.867   4.867
  113   2HD   LYS  15          1HD       LYS  15   6.517   3.359   3.359
  114   1HE   LYS  15          2HE       LYS  15   4.838   3.374   3.374
  115   2HE   LYS  15          1HE       LYS  15   4.218   4.906   4.906
  116   1HZ   LYS  15          1HZ       LYS  15   6.789   4.361   4.361
  117   2HZ   LYS  15          2HZ       LYS  15   5.779   5.619   5.619
  118    H    TYR  16           H        TYR  16   4.338  -1.142  -1.142
  119    HA   TYR  16           HA       TYR  16   6.058  -0.661  -0.661
  120   1HB   TYR  16          2HB       TYR  16   4.927  -2.301  -2.301
  121   2HB   TYR  16          1HB       TYR  16   3.863  -0.950  -0.950
  122    HD1  TYR  16           HD1      TYR  16   2.311  -1.346  -1.346
  123    HD2  TYR  16           HD2      TYR  16   4.005  -4.426  -4.426
  124    HE1  TYR  16           HE1      TYR  16   0.516  -2.966  -2.966
  125    HE2  TYR  16           HE2      TYR  16   2.205  -6.035  -6.035
  126    HH   TYR  16           HH       TYR  16   0.540  -6.347  -6.347
  127    H    LYS  17           H        LYS  17   7.104  -2.871  -2.871
  128    HA   LYS  17           HA       LYS  17   7.530  -4.353  -4.353
  129   1HB   LYS  17          2HB       LYS  17   9.164  -3.772  -3.772
  130   2HB   LYS  17          1HB       LYS  17   9.481  -5.257  -5.257
  131   1HG   LYS  17          2HG       LYS  17   9.183  -2.778  -2.778
  132   2HG   LYS  17          1HG       LYS  17  10.614  -2.864  -2.864
  133   1HD   LYS  17          2HD       LYS  17   9.762  -5.101  -5.101
  134   2HD   LYS  17          1HD       LYS  17  10.885  -3.833  -3.833
  135   1HE   LYS  17          2HE       LYS  17  12.279  -4.521  -4.521
  136   2HE   LYS  17          1HE       LYS  17  11.249  -5.934  -5.934
  137   1HZ   LYS  17          1HZ       LYS  17  12.165  -6.822  -6.822
  138   2HZ   LYS  17          2HZ       LYS  17  12.410  -5.391  -5.391
  139    H    ALA  18           H        ALA  18   7.008  -6.499  -6.499
  140    HA   ALA  18           HA       ALA  18   5.398  -7.619  -7.619
  141   1HB   ALA  18          1HB       ALA  18   4.932  -7.491  -7.491
  142   2HB   ALA  18          2HB       ALA  18   5.880  -8.998  -8.998
  143   3HB   ALA  18          3HB       ALA  18   4.392  -8.881  -8.881
  144    H    GLN  19           H        GLN  19   8.207  -7.330  -7.330
  145    HA   GLN  19           HA       GLN  19   9.825  -8.477  -8.477
  146   1HB   GLN  19          2HB       GLN  19   8.457  -9.904  -9.904
  147   2HB   GLN  19          1HB       GLN  19   7.730 -10.634 -10.634
  148   1HG   GLN  19          2HG       GLN  19   9.235 -12.259 -12.259
  149   2HG   GLN  19          1HG       GLN  19   9.897 -11.789 -11.789
  150   1HE2  GLN  19          2HE2      GLN  19  11.584 -10.231 -10.231
  151   2HE2  GLN  19          1HE2      GLN  19   9.883 -10.528 -10.528
  152    H    SER  20           H        SER  20   8.398 -10.615 -10.615
  153    HA   SER  20           HA       SER  20  11.071 -11.150 -11.150
  154   1HB   SER  20          2HB       SER  20   9.424 -12.451 -12.451
  155   2HB   SER  20          1HB       SER  20  10.010 -13.147 -13.147
  156    HG   SER  20           HG       SER  20   7.963 -13.294 -13.294
  157    H    GLY  21           H        GLY  21   9.139  -8.563  -8.563
  158   1HA   GLY  21          1HA       GLY  21   9.186  -6.840  -6.840
  159   2HA   GLY  21          2HA       GLY  21  10.267  -7.751  -7.751
  160    H    LYS  22           H        LYS  22   7.721  -9.834  -9.834
  161    HA   LYS  22           HA       LYS  22   6.754  -9.889  -9.889
  162   1HB   LYS  22          2HB       LYS  22   6.516 -11.685 -11.685
  163   2HB   LYS  22          1HB       LYS  22   5.339 -10.721 -10.721
  164   1HG   LYS  22          2HG       LYS  22   4.231 -10.624 -10.624
  165   2HG   LYS  22          1HG       LYS  22   5.058 -12.165 -12.165
  166   1HD   LYS  22          2HD       LYS  22   3.957 -12.702 -12.702
  167   2HD   LYS  22          1HD       LYS  22   2.906 -11.340 -11.340
  168   1HE   LYS  22          2HE       LYS  22   2.699 -12.646 -12.646
  169   2HE   LYS  22          1HE       LYS  22   3.042 -14.017 -14.017
  170   1HZ   LYS  22          1HZ       LYS  22   0.863 -13.927 -13.927
  171   2HZ   LYS  22          2HZ       LYS  22   1.166 -12.591 -12.591
  172    H    THR  23           H        THR  23   4.473  -9.002  -9.002
  173    HA   THR  23           HA       THR  23   2.826  -7.491  -7.491
  174    HB   THR  23           HB       THR  23   3.059  -8.275  -8.275
  175    HG1  THR  23          1HG       THR  23   1.166  -6.624  -6.624
  176   1HG2  THR  23          1HG2      THR  23   3.894  -5.747  -5.747
  177   2HG2  THR  23          2HG2      THR  23   2.182  -5.375  -5.375
  178   3HG2  THR  23          3HG2      THR  23   2.636  -6.343  -6.343
  179    H    ALA  24           H        ALA  24   2.361  -5.003  -5.003
  180    HA   ALA  24           HA       ALA  24   4.307  -3.246  -3.246
  181   1HB   ALA  24          3HB       ALA  24   4.645  -4.354  -4.354
  182   2HB   ALA  24          1HB       ALA  24   4.910  -2.610  -2.610
  183   3HB   ALA  24          2HB       ALA  24   5.872  -3.793  -3.793
  184    H    ILE  25           H        ILE  25   3.072  -1.484  -1.484
  185    HA   ILE  25           HA       ILE  25   1.463   0.018   0.018
  186    HB   ILE  25           HB       ILE  25   1.331  -0.553  -0.553
  187   1HG1  ILE  25          2HG1      ILE  25   3.499   0.773   0.773
  188   2HG1  ILE  25          3HG1      ILE  25   3.636  -0.374  -0.374
  189   1HG2  ILE  25          3HG2      ILE  25  -0.362   0.975   0.975
  190   2HG2  ILE  25          1HG2      ILE  25   0.902   1.972   1.972
  191   3HG2  ILE  25          2HG2      ILE  25   0.818   1.840   1.840
  192   1HD1  ILE  25          2HD1      ILE  25   2.746   1.362   1.362
  193   2HD1  ILE  25          3HD1      ILE  25   2.701   2.523   2.523
  194   3HD1  ILE  25          1HD1      ILE  25   4.258   1.866   1.866
  195    H    CYS  26           H        CYS  26  -0.712   0.040   0.040
  196    HA   CYS  26           HA       CYS  26  -2.435  -1.873  -1.873
  197   1HB   CYS  26          2HB       CYS  26  -1.631  -3.370  -3.370
  198   2HB   CYS  26          1HB       CYS  26  -1.638  -2.155  -2.155
  199    H    LYS  27           H        LYS  27  -4.089  -0.484  -0.484
  200    HA   LYS  27           HA       LYS  27  -4.579   1.978   1.978
  201   1HB   LYS  27          2HB       LYS  27  -6.847  -0.014  -0.014
  202   2HB   LYS  27          1HB       LYS  27  -6.868   1.691   1.691
  203   1HG   LYS  27          2HG       LYS  27  -4.861   0.998   0.998
  204   2HG   LYS  27          1HG       LYS  27  -5.570  -0.597  -0.597
  205   1HD   LYS  27          2HD       LYS  27  -7.469  -0.022  -0.022
  206   2HD   LYS  27          1HD       LYS  27  -7.528   1.596   1.596
  207   1HE   LYS  27          2HE       LYS  27  -5.776   2.374   2.374
  208   2HE   LYS  27          1HE       LYS  27  -5.431   0.741   0.741
  209   1HZ   LYS  27          1HZ       LYS  27  -8.104   1.042   1.042
  210   2HZ   LYS  27          2HZ       LYS  27  -7.504   2.504   2.504
  211    H    CYS  28           H        CYS  28  -5.575   3.174   3.174
  212    HA   CYS  28           HA       CYS  28  -5.358   1.933   1.933
  213   1HB   CYS  28          2HB       CYS  28  -6.039   4.704   4.704
  214   2HB   CYS  28          1HB       CYS  28  -6.250   4.252   4.252
  215    H    TYR  29           H        TYR  29  -7.011   0.251   0.251
  216    HA   TYR  29           HA       TYR  29  -9.643   0.716   0.716
  217   1HB   TYR  29          2HB       TYR  29  -9.907  -1.496  -1.496
  218   2HB   TYR  29          1HB       TYR  29  -8.200  -1.443  -1.443
  219    HD1  TYR  29           HD1      TYR  29  -6.861  -0.114  -0.114
  220    HD2  TYR  29           HD2      TYR  29 -10.308  -2.635  -2.635
  221    HE1  TYR  29           HE1      TYR  29  -6.292  -0.665  -0.665
  222    HE2  TYR  29           HE2      TYR  29  -9.728  -3.178  -3.178
  223    HH   TYR  29           HH       TYR  29  -8.467  -2.046  -2.046
  224    H    VAL  30           H        VAL  30 -11.168   2.014   2.014
  225    HA   VAL  30           HA       VAL  30 -12.420   3.043   3.043
  226    HB   VAL  30           HB       VAL  30 -12.987   1.910   1.910
  227   1HG1  VAL  30          1HG1      VAL  30 -12.255   0.215   0.215
  228   2HG1  VAL  30          2HG1      VAL  30 -11.030  -0.257  -0.257
  229   3HG1  VAL  30          3HG1      VAL  30 -12.760  -0.366  -0.366
  230   1HG2  VAL  30          3HG2      VAL  30 -10.086   2.088   2.088
  231   2HG2  VAL  30          1HG2      VAL  30 -11.510   2.461   2.461
  232   3HG2  VAL  30          2HG2      VAL  30 -10.997   0.771   0.771
  233    H    LYS  31           H        LYS  31 -12.314   4.933   4.933
  234    HA   LYS  31           HA       LYS  31 -11.374   6.749   6.749
  235   1HB   LYS  31          2HB       LYS  31 -10.437   4.839   4.839
  236   2HB   LYS  31          1HB       LYS  31  -8.904   5.265   5.265
  237   1HG   LYS  31          2HG       LYS  31  -8.751   7.111   7.111
  238   2HG   LYS  31          1HG       LYS  31 -10.267   7.720   7.720
  239   1HD   LYS  31          2HD       LYS  31 -11.098   5.694   5.694
  240   2HD   LYS  31          1HD       LYS  31  -9.716   6.380   6.380
  241   1HE   LYS  31          2HE       LYS  31 -12.039   8.030   8.030
  242   2HE   LYS  31          1HE       LYS  31 -11.910   7.511   7.511
  243   1HZ   LYS  31          1HZ       LYS  31  -9.643   8.969   8.969
  244   2HZ   LYS  31          2HZ       LYS  31 -10.960   9.823   9.823
  245    H    LYS  32           H        LYS  32  -8.984   7.993   7.993
  246    HA   LYS  32           HA       LYS  32  -7.814   7.526   7.526
  247   1HB   LYS  32          2HB       LYS  32  -9.632   9.158   9.158
  248   2HB   LYS  32          1HB       LYS  32  -8.938  10.197  10.197
  249   1HG   LYS  32          2HG       LYS  32  -6.740   9.779   9.779
  250   2HG   LYS  32          1HG       LYS  32  -8.030   9.701   9.701
  251   1HD   LYS  32          2HD       LYS  32  -7.665  11.978  11.978
  252   2HD   LYS  32          1HD       LYS  32  -7.121  12.030  12.030
  253   1HE   LYS  32          2HE       LYS  32  -9.574  11.507  11.507
  254   2HE   LYS  32          1HE       LYS  32  -9.992  11.843  11.843
  255   1HZ   LYS  32          1HZ       LYS  32  -9.684  14.052  14.052
  256   2HZ   LYS  32          2HZ       LYS  32  -8.327  13.874  13.874
  257    H    CYS  33           H        CYS  33  -5.634   8.239   8.239
  258    HA   CYS  33           HA       CYS  33  -4.207   8.106   8.106
  259   1HB   CYS  33          2HB       CYS  33  -3.583   7.778   7.778
  260   2HB   CYS  33          1HB       CYS  33  -2.936   9.389   9.389
  261    HA   PRO  34           HA       PRO  34  -4.390  12.286  12.286
  262   1HB   PRO  34          2HB       PRO  34  -2.315  12.368  12.368
  263   2HB   PRO  34          1HB       PRO  34  -3.899  11.739  11.739
  264   1HG   PRO  34          2HG       PRO  34  -1.398  10.256  10.256
  265   2HG   PRO  34          1HG       PRO  34  -2.852   9.702   9.702
  266   1HD   PRO  34          2HD       PRO  34  -2.037   9.089   9.089
  267   2HD   PRO  34          1HD       PRO  34  -3.544   8.631   8.631
  268    H    ARG  35           H        ARG  35  -1.153  11.144  11.144
  269    HA   ARG  35           HA       ARG  35  -0.901  13.179  13.179
  270   1HB   ARG  35          2HB       ARG  35   0.992  14.427  14.427
  271   2HB   ARG  35          1HB       ARG  35  -0.486  14.605  14.605
  272   1HG   ARG  35          2HG       ARG  35   0.925  12.241  12.241
  273   2HG   ARG  35          1HG       ARG  35   2.040  13.592  13.592
  274   1HD   ARG  35          2HD       ARG  35   0.122  14.934  14.934
  275   2HD   ARG  35          1HD       ARG  35  -0.587  13.363  13.363
  276    HE   ARG  35           HE       ARG  35   2.261  13.636  13.636
  277   1HH1  ARG  35          2HH2      ARG  35  -1.106  13.773  13.773
  278   2HH1  ARG  35          1HH2      ARG  35  -0.701  13.569  13.569
  279    HH2  ARG  35          1HH       ARG  35   1.600  13.332  13.332
  280    H    ASP  36           H        ASP  36   0.810  12.660  12.660
  281    HA   ASP  36           HA       ASP  36   1.650  10.191  10.191
  282   1HB   ASP  36          2HB       ASP  36   2.349  11.507  11.507
  283   2HB   ASP  36          1HB       ASP  36   2.805  12.844  12.844
  284    HD2  ASP  36          2HD       ASP  36   5.205  11.479  11.479
  285    H    GLY  37           H        GLY  37   2.987   8.765   8.765
  286   1HA   GLY  37          1HA       GLY  37   5.148   8.406   8.406
  287   2HA   GLY  37          2HA       GLY  37   4.981   9.943   9.943
  288    H    ALA  38           H        ALA  38   1.974   9.365   9.365
  289    HA   ALA  38           HA       ALA  38   1.949   8.639   8.639
  290   1HB   ALA  38          1HB       ALA  38   0.072   9.077   9.077
  291   2HB   ALA  38          2HB       ALA  38  -0.231   7.374   7.374
  292   3HB   ALA  38          3HB       ALA  38  -0.302   8.627   8.627
  293    H    LYS  39           H        LYS  39   2.640   6.929   6.929
  294    HA   LYS  39           HA       LYS  39   3.691   4.649   4.649
  295   1HB   LYS  39          2HB       LYS  39   4.282   5.643   5.643
  296   2HB   LYS  39          1HB       LYS  39   2.811   4.936   4.936
  297   1HG   LYS  39          2HG       LYS  39   4.327   2.960   2.960
  298   2HG   LYS  39          1HG       LYS  39   5.326   3.662   3.662
  299   1HD   LYS  39          2HD       LYS  39   2.581   2.381   2.381
  300   2HD   LYS  39          1HD       LYS  39   4.120   1.673   1.673
  301   1HE   LYS  39          2HE       LYS  39   4.276   2.920   2.920
  302   2HE   LYS  39          1HE       LYS  39   3.756   4.389   4.389
  303   1HZ   LYS  39          1HZ       LYS  39   1.865   4.037   4.037
  304   2HZ   LYS  39          2HZ       LYS  39   1.479   2.939   2.939
  305    H    CYS  40           H        CYS  40   2.952   2.415   2.415
  306    HA   CYS  40           HA       CYS  40   0.192   1.980   1.980
  307   1HB   CYS  40          2HB       CYS  40  -0.283   1.019   1.019
  308   2HB   CYS  40          1HB       CYS  40  -0.302   2.763   2.763
  309    H    GLU  41           H        GLU  41  -0.274  -0.504  -0.504
  310    HA   GLU  41           HA       GLU  41   2.102  -2.073  -2.073
  311   1HB   GLU  41          2HB       GLU  41   0.948  -3.320  -3.320
  312   2HB   GLU  41          1HB       GLU  41   2.339  -2.257  -2.257
  313   1HG   GLU  41          2HG       GLU  41  -0.449  -1.070  -1.070
  314   2HG   GLU  41          1HG       GLU  41   0.225  -1.777  -1.777
  315    HE1  GLU  41          2HE       GLU  41   3.047   0.324   0.324
  316    H    PHE  42           H        PHE  42   1.683  -4.016  -4.016
  317    HA   PHE  42           HA       PHE  42  -1.130  -4.498  -4.498
  318   1HB   PHE  42          2HB       PHE  42   0.422  -4.240  -4.240
  319   2HB   PHE  42          1HB       PHE  42   1.590  -5.317  -5.317
  320    HD1  PHE  42          2HD       PHE  42  -1.609  -5.141  -5.141
  321    HD2  PHE  42          1HD       PHE  42   1.351  -7.709  -7.709
  322    HE1  PHE  42          2HE       PHE  42  -2.592  -7.075  -7.075
  323    HE2  PHE  42          1HE       PHE  42   0.368  -9.643  -9.643
  324    HZ   PHE  42           HZ       PHE  42  -1.592  -9.302  -9.302
  325    H    ASP  43           H        ASP  43  -1.902  -5.683  -5.683
  326    HA   ASP  43           HA       ASP  43  -0.487  -7.576  -7.576
  327   1HB   ASP  43          2HB       ASP  43  -3.449  -7.205  -7.205
  328   2HB   ASP  43          1HB       ASP  43  -2.902  -8.560  -8.560
  329    HD1  ASP  43          2HD       ASP  43  -2.180  -4.938  -4.938
  330    H    SER  44           H        SER  44   0.368  -9.517  -9.517
  331    HA   SER  44           HA       SER  44  -0.469 -10.527 -10.527
  332   1HB   SER  44          2HB       SER  44   1.297 -12.130 -12.130
  333   2HB   SER  44          1HB       SER  44   1.886 -10.632 -10.632
  334    HG   SER  44           HG       SER  44   1.558 -11.429 -11.429
  335    H    TYR  45           H        TYR  45  -1.943 -10.618 -10.618
  336    HA   TYR  45           HA       TYR  45  -2.644 -13.399 -13.399
  337   1HB   TYR  45          2HB       TYR  45  -4.133 -11.082 -11.082
  338   2HB   TYR  45          1HB       TYR  45  -3.771 -12.652 -12.652
  339    HD1  TYR  45           HD1      TYR  45  -0.790 -12.729 -12.729
  340    HD2  TYR  45           HD2      TYR  45  -3.283  -9.654  -9.654
  341    HE1  TYR  45           HE1      TYR  45   1.213 -11.733 -11.733
  342    HE2  TYR  45           HE2      TYR  45  -1.271  -8.668  -8.668
  343    HH   TYR  45           HH       TYR  45   0.857  -9.352  -9.352
  344    H    LYS  46           H        LYS  46  -3.808 -10.506 -10.506
  345    HA   LYS  46           HA       LYS  46  -6.029 -12.083 -12.083
  346   1HB   LYS  46          2HB       LYS  46  -6.272  -9.449  -9.449
  347   2HB   LYS  46          1HB       LYS  46  -7.426  -9.902  -9.902
  348   1HG   LYS  46          2HG       LYS  46  -7.017 -12.185 -12.185
  349   2HG   LYS  46          1HG       LYS  46  -7.322 -10.782 -10.782
  350   1HD   LYS  46          2HD       LYS  46  -9.072 -11.495 -11.495
  351   2HD   LYS  46          1HD       LYS  46  -9.397 -12.092 -12.092
  352   1HE   LYS  46          2HE       LYS  46  -9.784  -9.879  -9.879
  353   2HE   LYS  46          1HE       LYS  46  -9.046  -9.115  -9.115
  354   1HZ   LYS  46          1HZ       LYS  46 -10.898  -9.640  -9.640
  355   2HZ   LYS  46          2HZ       LYS  46 -11.456 -10.796 -10.796
  356    H    GLY  47           H        GLY  47  -4.078  -9.041  -9.041
  357   1HA   GLY  47          1HA       GLY  47  -2.817  -8.591  -8.591
  358   2HA   GLY  47          2HA       GLY  47  -4.091  -9.313  -9.313
  359    H    LYS  48           H        LYS  48  -4.123  -6.874  -6.874
  360    HA   LYS  48           HA       LYS  48  -6.009  -5.298  -5.298
  361   1HB   LYS  48          2HB       LYS  48  -4.831  -5.062  -5.062
  362   2HB   LYS  48          1HB       LYS  48  -5.903  -3.858  -3.858
  363   1HG   LYS  48          2HG       LYS  48  -6.777  -6.739  -6.739
  364   2HG   LYS  48          1HG       LYS  48  -6.830  -5.956  -5.956
  365   1HD   LYS  48          2HD       LYS  48  -8.380  -4.295  -4.295
  366   2HD   LYS  48          1HD       LYS  48  -8.035  -4.592  -4.592
  367   1HE   LYS  48          2HE       LYS  48 -10.148  -5.642  -5.642
  368   2HE   LYS  48          1HE       LYS  48  -8.997  -6.963  -6.963
  369   1HZ   LYS  48          1HZ       LYS  48  -9.081  -6.125  -6.125
  370   2HZ   LYS  48          2HZ       LYS  48 -10.639  -6.123  -6.123
  371    H    CYS  49           H        CYS  49  -3.755  -3.506  -3.506
  372    HA   CYS  49           HA       CYS  49  -1.638  -2.973  -2.973
  373   1HB   CYS  49          2HB       CYS  49  -2.387  -0.929  -0.929
  374   2HB   CYS  49          1HB       CYS  49  -2.572  -2.543  -2.543
  375    H    TYR  50           H        TYR  50  -4.451  -1.840  -1.840
  376    HA   TYR  50           HA       TYR  50  -4.772  -0.095  -0.095
  377   1HB   TYR  50          2HB       TYR  50  -2.003  -1.247  -1.247
  378   2HB   TYR  50          1HB       TYR  50  -2.858  -0.165  -0.165
  379    HD1  TYR  50           HD2      TYR  50  -3.078  -3.489  -3.489
  380    HD2  TYR  50           HD1      TYR  50  -4.518  -0.979  -0.979
  381    HE1  TYR  50           HE2      TYR  50  -4.298  -5.468  -5.468
  382    HE2  TYR  50           HE1      TYR  50  -5.734  -2.967  -2.967
  383    HH   TYR  50           HH       TYR  50  -6.472  -5.030  -5.030
  384    H    CYS  51           H        CYS  51  -4.752   1.763   1.763
  385    HA   CYS  51           HA       CYS  51  -2.254   2.985   2.985
  386   1HB   CYS  51          2HB       CYS  51  -4.805   4.493   4.493
  387   2HB   CYS  51          1HB       CYS  51  -3.433   4.407   4.407

  Start of MODEL   39
    1    H    ALA   1           H        ALA   1   2.748 -11.761 -11.761
    2    HA   ALA   1           HA       ALA   1   4.423 -10.738 -10.738
    3   1HB   ALA   1          1HB       ALA   1   2.801 -12.929 -12.929
    4   2HB   ALA   1          2HB       ALA   1   2.710 -11.982 -11.982
    5   3HB   ALA   1          3HB       ALA   1   4.292 -12.499 -12.499
    6    H    THR   2           H        THR   2   2.886  -8.488  -8.488
    7    HA   THR   2           HA       THR   2   1.759  -7.542  -7.542
    8    HB   THR   2           HB       THR   2   2.156  -5.808  -5.808
    9    HG1  THR   2          1HG       THR   2   1.229  -7.430  -7.430
   10   1HG2  THR   2          2HG2      THR   2   0.588  -5.602  -5.602
   11   2HG2  THR   2          3HG2      THR   2  -0.540  -6.380  -6.380
   12   3HG2  THR   2          1HG2      THR   2   0.202  -4.816  -4.816
   13    H    TYR   3           H        TYR   3   2.618  -6.045  -6.045
   14    HA   TYR   3           HA       TYR   3   5.476  -5.660  -5.660
   15   1HB   TYR   3          2HB       TYR   3   3.372  -4.855  -4.855
   16   2HB   TYR   3          1HB       TYR   3   5.104  -4.768  -4.768
   17    HD1  TYR   3           HD2      TYR   3   4.816  -7.627  -7.627
   18    HD2  TYR   3           HD1      TYR   3   3.811  -6.173  -6.173
   19    HE1  TYR   3           HE2      TYR   3   4.806 -10.007 -10.007
   20    HE2  TYR   3           HE1      TYR   3   3.804  -8.558  -8.558
   21    HH   TYR   3           HH       TYR   3   4.463 -10.641 -10.641
   22    H    ASN   4           H        ASN   4   6.074  -3.307  -3.307
   23    HA   ASN   4           HA       ASN   4   4.438  -1.280  -1.280
   24   1HB   ASN   4          2HB       ASN   4   7.418  -1.086  -1.086
   25   2HB   ASN   4          1HB       ASN   4   6.109  -0.392  -0.392
   26   1HD2  ASN   4          2HD2      ASN   4   5.280  -3.455  -3.455
   27   2HD2  ASN   4          1HD2      ASN   4   4.548  -2.115  -2.115
   28    H    GLY   5           H        GLY   5   4.641   0.736   0.736
   29   1HA   GLY   5          1HA       GLY   5   6.828   1.280   1.280
   30   2HA   GLY   5          2HA       GLY   5   5.434   0.697   0.697
   31    H    LYS   6           H        LYS   6   4.795   2.614   2.614
   32    HA   LYS   6           HA       LYS   6   3.735   4.637   4.637
   33   1HB   LYS   6          2HB       LYS   6   5.346   5.335   5.335
   34   2HB   LYS   6          1HB       LYS   6   4.660   6.444   6.444
   35   1HG   LYS   6          2HG       LYS   6   6.150   5.643   5.643
   36   2HG   LYS   6          1HG       LYS   6   6.699   4.308   4.308
   37   1HD   LYS   6          2HD       LYS   6   7.388   6.279   6.279
   38   2HD   LYS   6          1HD       LYS   6   7.373   7.243   7.243
   39   1HE   LYS   6          2HE       LYS   6   8.821   4.590   4.590
   40   2HE   LYS   6          1HE       LYS   6   9.581   5.935   5.935
   41   1HZ   LYS   6          1HZ       LYS   6  10.047   6.907   6.907
   42   2HZ   LYS   6          2HZ       LYS   6   8.546   6.699   6.699
   43    H    CYS   7           H        CYS   7   2.057   6.015   6.015
   44    HA   CYS   7           HA       CYS   7   0.895   4.660   4.660
   45   1HB   CYS   7          2HB       CYS   7  -1.369   5.196   5.196
   46   2HB   CYS   7          1HB       CYS   7  -0.479   3.786   3.786
   47    H    TYR   8           H        TYR   8  -0.432   6.127   6.127
   48    HA   TYR   8           HA       TYR   8   0.212   8.951   8.951
   49   1HB   TYR   8          2HB       TYR   8  -0.302   7.319   7.319
   50   2HB   TYR   8          1HB       TYR   8   0.014   9.043   9.043
   51    HD1  TYR   8           HD2      TYR   8   2.087   8.270   8.270
   52    HD2  TYR   8           HD1      TYR   8   1.670   7.348   7.348
   53    HE1  TYR   8           HE2      TYR   8   4.583   7.811   7.811
   54    HE2  TYR   8           HE1      TYR   8   4.167   6.892   6.892
   55    HH   TYR   8           HH       TYR   8   6.308   7.952   7.952
   56    H    LYS   9           H        LYS   9  -1.428  10.481  10.481
   57    HA   LYS   9           HA       LYS   9  -4.093   9.416   9.416
   58   1HB   LYS   9          2HB       LYS   9  -4.714  11.691  11.691
   59   2HB   LYS   9          1HB       LYS   9  -3.351  11.133  11.133
   60   1HG   LYS   9          2HG       LYS   9  -2.548  13.225  13.225
   61   2HG   LYS   9          1HG       LYS   9  -1.922  12.281  12.281
   62   1HD   LYS   9          2HD       LYS   9  -2.964  13.954  13.954
   63   2HD   LYS   9          1HD       LYS   9  -4.318  12.850  12.850
   64   1HE   LYS   9          2HE       LYS   9  -5.493  14.274  14.274
   65   2HE   LYS   9          1HE       LYS   9  -4.096  14.631  14.631
   66   1HZ   LYS   9          1HZ       LYS   9  -4.118  15.765  15.765
   67   2HZ   LYS   9          2HZ       LYS   9  -5.131  16.436  16.436
   68    H    LYS  10           H        LYS  10  -2.205  11.614  11.614
   69    HA   LYS  10           HA       LYS  10  -4.284  12.189  12.189
   70   1HB   LYS  10          2HB       LYS  10  -1.555  12.785  12.785
   71   2HB   LYS  10          1HB       LYS  10  -1.697  12.009  12.009
   72   1HG   LYS  10          2HG       LYS  10  -2.469  13.981  13.981
   73   2HG   LYS  10          1HG       LYS  10  -3.940  13.708  13.708
   74   1HD   LYS  10          2HD       LYS  10  -3.403  15.276  15.276
   75   2HD   LYS  10          1HD       LYS  10  -1.727  14.770  14.770
   76   1HE   LYS  10          2HE       LYS  10  -1.378  16.816  16.816
   77   2HE   LYS  10          1HE       LYS  10  -1.680  15.893  15.893
   78   1HZ   LYS  10          1HZ       LYS  10  -4.182  16.590  16.590
   79   2HZ   LYS  10          2HZ       LYS  10  -3.323  17.919  17.919
   80    H    ASP  11           H        ASP  11  -2.305   9.288   9.288
   81    HA   ASP  11           HA       ASP  11  -3.479   8.225   8.225
   82   1HB   ASP  11          2HB       ASP  11  -0.940   7.781   7.781
   83   2HB   ASP  11          1HB       ASP  11  -1.694   6.307   6.307
   84    HD1  ASP  11          2HD       ASP  11  -1.381   8.175   8.175
   85    H    ASN  12           H        ASN  12  -3.769   8.337   8.337
   86    HA   ASN  12           HA       ASN  12  -4.658   7.070   7.070
   87   1HB   ASN  12          2HB       ASN  12  -6.744   7.690   7.690
   88   2HB   ASN  12          1HB       ASN  12  -6.494   6.610   6.610
   89   1HD2  ASN  12          2HD2      ASN  12  -7.722   5.152   5.152
   90   2HD2  ASN  12          1HD2      ASN  12  -6.835   6.633   6.633
   91    H    ILE  13           H        ILE  13  -2.452   5.713   5.713
   92    HA   ILE  13           HA       ILE  13  -3.363   2.941   2.941
   93    HB   ILE  13           HB       ILE  13  -1.505   2.409   2.409
   94   1HG1  ILE  13          2HG1      ILE  13  -0.788   4.511   4.511
   95   2HG1  ILE  13          3HG1      ILE  13  -1.155   5.391   5.391
   96   1HG2  ILE  13          1HG2      ILE  13  -4.044   3.507   3.507
   97   2HG2  ILE  13          2HG2      ILE  13  -2.913   4.180   4.180
   98   3HG2  ILE  13          3HG2      ILE  13  -3.061   2.417   2.417
   99   1HD1  ILE  13          1HD1      ILE  13   0.310   3.189   3.189
  100   2HD1  ILE  13          2HD1      ILE  13   1.118   3.624   3.624
  101   3HD1  ILE  13          3HD1      ILE  13   0.936   4.838   4.838
  102    H    CYS  14           H        CYS  14  -1.416   1.441   1.441
  103    HA   CYS  14           HA       CYS  14   0.183   2.835   2.835
  104   1HB   CYS  14          2HB       CYS  14  -1.360   1.742   1.742
  105   2HB   CYS  14          1HB       CYS  14  -1.485   0.362   0.362
  106    H    LYS  15           H        LYS  15   2.204   2.836   2.836
  107    HA   LYS  15           HA       LYS  15   3.001   0.439   0.439
  108   1HB   LYS  15          2HB       LYS  15   4.458   1.758   1.758
  109   2HB   LYS  15          1HB       LYS  15   3.171   2.901   2.901
  110   1HG   LYS  15          2HG       LYS  15   4.449   3.706   3.706
  111   2HG   LYS  15          1HG       LYS  15   5.755   2.617   2.617
  112   1HD   LYS  15          2HD       LYS  15   4.727   4.968   4.968
  113   2HD   LYS  15          1HD       LYS  15   6.288   4.839   4.839
  114   1HE   LYS  15          2HE       LYS  15   6.285   2.555   2.555
  115   2HE   LYS  15          1HE       LYS  15   5.362   3.658   3.658
  116   1HZ   LYS  15          1HZ       LYS  15   7.993   4.377   4.377
  117   2HZ   LYS  15          2HZ       LYS  15   7.824   3.781   3.781
  118    H    TYR  16           H        TYR  16   4.443  -1.017  -1.017
  119    HA   TYR  16           HA       TYR  16   6.273  -0.206  -0.206
  120   1HB   TYR  16          2HB       TYR  16   5.340  -2.207  -2.207
  121   2HB   TYR  16          1HB       TYR  16   4.321  -0.782  -0.782
  122    HD1  TYR  16           HD1      TYR  16   2.567  -0.768  -0.768
  123    HD2  TYR  16           HD2      TYR  16   4.339  -4.267  -4.267
  124    HE1  TYR  16           HE1      TYR  16   0.642  -2.180  -2.180
  125    HE2  TYR  16           HE2      TYR  16   2.408  -5.667  -5.667
  126    HH   TYR  16           HH       TYR  16   0.220  -4.474  -4.474
  127    H    LYS  17           H        LYS  17   7.425  -2.439  -2.439
  128    HA   LYS  17           HA       LYS  17   8.090  -3.805  -3.805
  129   1HB   LYS  17          2HB       LYS  17   9.692  -2.545  -2.545
  130   2HB   LYS  17          1HB       LYS  17  10.031  -4.263  -4.263
  131   1HG   LYS  17          2HG       LYS  17   9.827  -3.100  -3.100
  132   2HG   LYS  17          1HG       LYS  17  11.176  -2.514  -2.514
  133   1HD   LYS  17          2HD       LYS  17  10.564  -5.487  -5.487
  134   2HD   LYS  17          1HD       LYS  17  11.593  -4.631  -4.631
  135   1HE   LYS  17          2HE       LYS  17  12.680  -3.828  -3.828
  136   2HE   LYS  17          1HE       LYS  17  12.141  -5.448  -5.448
  137   1HZ   LYS  17          1HZ       LYS  17  13.390  -5.527  -5.527
  138   2HZ   LYS  17          2HZ       LYS  17  14.389  -4.736  -4.736
  139    H    ALA  18           H        ALA  18   6.714  -5.545  -5.545
  140    HA   ALA  18           HA       ALA  18   5.606  -6.919  -6.919
  141   1HB   ALA  18          2HB       ALA  18   5.602  -7.074  -7.074
  142   2HB   ALA  18          3HB       ALA  18   6.451  -8.577  -8.577
  143   3HB   ALA  18          1HB       ALA  18   4.824  -8.259  -8.259
  144    H    GLN  19           H        GLN  19   6.106  -9.226  -9.226
  145    HA   GLN  19           HA       GLN  19   8.530  -9.232  -9.232
  146   1HB   GLN  19          2HB       GLN  19   6.357 -10.581 -10.581
  147   2HB   GLN  19          1HB       GLN  19   6.979 -11.758 -11.758
  148   1HG   GLN  19          2HG       GLN  19   7.708 -12.496 -12.496
  149   2HG   GLN  19          1HG       GLN  19   9.129 -11.834 -11.834
  150   1HE2  GLN  19          2HE2      GLN  19   7.836 -10.409 -10.409
  151   2HE2  GLN  19          1HE2      GLN  19   7.293 -11.861 -11.861
  152    H    SER  20           H        SER  20   7.582 -10.446 -10.446
  153    HA   SER  20           HA       SER  20  10.318 -11.407 -11.407
  154   1HB   SER  20          2HB       SER  20   9.058 -12.603 -12.603
  155   2HB   SER  20          1HB       SER  20   9.183 -13.341 -13.341
  156    HG   SER  20           HG       SER  20   7.008 -13.443 -13.443
  157    H    GLY  21           H        GLY  21   8.400  -8.788  -8.788
  158   1HA   GLY  21          1HA       GLY  21   8.732  -6.987  -6.987
  159   2HA   GLY  21          2HA       GLY  21  10.035  -7.827  -7.827
  160    H    LYS  22           H        LYS  22   7.456  -9.978  -9.978
  161    HA   LYS  22           HA       LYS  22   7.051  -9.767  -9.767
  162   1HB   LYS  22          2HB       LYS  22   6.662 -11.712 -11.712
  163   2HB   LYS  22          1HB       LYS  22   5.031 -11.073 -11.073
  164   1HG   LYS  22          2HG       LYS  22   4.722 -12.449 -12.449
  165   2HG   LYS  22          1HG       LYS  22   5.429 -11.115 -11.115
  166   1HD   LYS  22          2HD       LYS  22   7.686 -12.477 -12.477
  167   2HD   LYS  22          1HD       LYS  22   6.563 -13.786 -13.786
  168   1HE   LYS  22          2HE       LYS  22   6.841 -11.611 -11.611
  169   2HE   LYS  22          1HE       LYS  22   8.122 -12.799 -12.799
  170   1HZ   LYS  22          1HZ       LYS  22   6.629 -14.532 -14.532
  171   2HZ   LYS  22          2HZ       LYS  22   5.296 -13.650 -13.650
  172    H    THR  23           H        THR  23   5.262  -8.452  -8.452
  173    HA   THR  23           HA       THR  23   3.195  -7.365  -7.365
  174    HB   THR  23           HB       THR  23   3.488  -8.113  -8.113
  175    HG1  THR  23          1HG       THR  23   1.403  -8.123  -8.123
  176   1HG2  THR  23          3HG2      THR  23   4.362  -5.554  -5.554
  177   2HG2  THR  23          1HG2      THR  23   2.617  -5.223  -5.223
  178   3HG2  THR  23          2HG2      THR  23   3.255  -6.206  -6.206
  179    H    ALA  24           H        ALA  24   2.681  -4.863  -4.863
  180    HA   ALA  24           HA       ALA  24   4.602  -3.046  -3.046
  181   1HB   ALA  24          2HB       ALA  24   4.758  -4.127  -4.127
  182   2HB   ALA  24          3HB       ALA  24   5.049  -2.392  -2.392
  183   3HB   ALA  24          1HB       ALA  24   6.064  -3.602  -3.602
  184    H    ILE  25           H        ILE  25   3.234  -1.439  -1.439
  185    HA   ILE  25           HA       ILE  25   1.544  -0.021  -0.021
  186    HB   ILE  25           HB       ILE  25   1.522  -0.380  -0.380
  187   1HG1  ILE  25          2HG1      ILE  25   3.098   1.805   1.805
  188   2HG1  ILE  25          3HG1      ILE  25   3.773   0.192   0.192
  189   1HG2  ILE  25          1HG2      ILE  25   0.400   1.650   1.650
  190   2HG2  ILE  25          2HG2      ILE  25   0.947   2.167   2.167
  191   3HG2  ILE  25          3HG2      ILE  25  -0.318   0.923   0.923
  192   1HD1  ILE  25          1HD1      ILE  25   2.687   0.877   0.877
  193   2HD1  ILE  25          2HD1      ILE  25   4.087   1.847   1.847
  194   3HD1  ILE  25          3HD1      ILE  25   4.213   0.073   0.073
  195    H    CYS  26           H        CYS  26  -0.640  -0.126  -0.126
  196    HA   CYS  26           HA       CYS  26  -2.238  -2.072  -2.072
  197   1HB   CYS  26          2HB       CYS  26  -1.497  -3.615  -3.615
  198   2HB   CYS  26          1HB       CYS  26  -1.391  -2.436  -2.436
  199    H    LYS  27           H        LYS  27  -3.800  -0.585  -0.585
  200    HA   LYS  27           HA       LYS  27  -4.433   1.770   1.770
  201   1HB   LYS  27          2HB       LYS  27  -6.607  -0.126  -0.126
  202   2HB   LYS  27          1HB       LYS  27  -6.537   1.615   1.615
  203   1HG   LYS  27          2HG       LYS  27  -4.194   0.843   0.843
  204   2HG   LYS  27          1HG       LYS  27  -5.242  -0.513  -0.513
  205   1HD   LYS  27          2HD       LYS  27  -5.844   0.867   0.867
  206   2HD   LYS  27          1HD       LYS  27  -6.998   1.442   1.442
  207   1HE   LYS  27          2HE       LYS  27  -5.399   3.267   3.267
  208   2HE   LYS  27          1HE       LYS  27  -4.268   2.701   2.701
  209   1HZ   LYS  27          1HZ       LYS  27  -5.978   4.567   4.567
  210   2HZ   LYS  27          2HZ       LYS  27  -5.635   3.433   3.433
  211    H    CYS  28           H        CYS  28  -5.574   2.672   2.672
  212    HA   CYS  28           HA       CYS  28  -5.976   0.872   0.872
  213   1HB   CYS  28          2HB       CYS  28  -4.976   3.378   3.378
  214   2HB   CYS  28          1HB       CYS  28  -6.642   3.748   3.748
  215    H    TYR  29           H        TYR  29  -7.972   0.033   0.033
  216    HA   TYR  29           HA       TYR  29 -10.302   1.287   1.287
  217   1HB   TYR  29          2HB       TYR  29 -11.045  -0.941  -0.941
  218   2HB   TYR  29          1HB       TYR  29  -9.317  -1.233  -1.233
  219    HD1  TYR  29           HD1      TYR  29  -8.245  -1.740  -1.740
  220    HD2  TYR  29           HD2      TYR  29 -12.406  -2.154  -2.154
  221    HE1  TYR  29           HE1      TYR  29  -8.522  -3.337  -3.337
  222    HE2  TYR  29           HE2      TYR  29 -12.668  -3.750  -3.750
  223    HH   TYR  29           HH       TYR  29  -9.966  -5.076  -5.076
  224    H    VAL  30           H        VAL  30  -8.776   1.633   1.633
  225    HA   VAL  30           HA       VAL  30 -11.221   1.347   1.347
  226    HB   VAL  30           HB       VAL  30  -8.318   1.071   1.071
  227   1HG1  VAL  30          3HG1      VAL  30 -10.568   1.939   1.939
  228   2HG1  VAL  30          1HG1      VAL  30 -10.038   0.338   0.338
  229   3HG1  VAL  30          2HG1      VAL  30  -8.879   1.687   1.687
  230   1HG2  VAL  30          2HG2      VAL  30 -10.592  -0.850  -0.850
  231   2HG2  VAL  30          3HG2      VAL  30  -8.879  -0.998  -0.998
  232   3HG2  VAL  30          1HG2      VAL  30  -9.362  -1.196  -1.196
  233    H    LYS  31           H        LYS  31  -8.418   2.930   2.930
  234    HA   LYS  31           HA       LYS  31  -9.853   5.458   5.458
  235   1HB   LYS  31          2HB       LYS  31  -8.475   4.147   4.147
  236   2HB   LYS  31          1HB       LYS  31  -7.437   5.484   5.484
  237   1HG   LYS  31          2HG       LYS  31  -9.375   7.057   7.057
  238   2HG   LYS  31          1HG       LYS  31 -10.413   5.720   5.720
  239   1HD   LYS  31          2HD       LYS  31  -8.112   5.593   5.593
  240   2HD   LYS  31          1HD       LYS  31  -8.620   7.270   7.270
  241   1HE   LYS  31          2HE       LYS  31 -11.039   6.341   6.341
  242   2HE   LYS  31          1HE       LYS  31 -10.250   4.839   4.839
  243   1HZ   LYS  31          1HZ       LYS  31  -9.494   5.738   5.738
  244   2HZ   LYS  31          2HZ       LYS  31  -9.139   7.190   7.190
  245    H    LYS  32           H        LYS  32  -9.456   6.360   6.360
  246    HA   LYS  32           HA       LYS  32  -7.375   6.111   6.111
  247   1HB   LYS  32          2HB       LYS  32  -8.590   8.821   8.821
  248   2HB   LYS  32          1HB       LYS  32  -7.942   8.228   8.228
  249   1HG   LYS  32          2HG       LYS  32 -10.048   7.565   7.565
  250   2HG   LYS  32          1HG       LYS  32  -9.872   6.300   6.300
  251   1HD   LYS  32          2HD       LYS  32 -11.929   7.709   7.709
  252   2HD   LYS  32          1HD       LYS  32 -10.863   7.698   7.698
  253   1HE   LYS  32          2HE       LYS  32 -10.226   9.920   9.920
  254   2HE   LYS  32          1HE       LYS  32 -10.383   9.862   9.862
  255   1HZ   LYS  32          1HZ       LYS  32 -12.557  10.148  10.148
  256   2HZ   LYS  32          2HZ       LYS  32 -12.206  11.133  11.133
  257    H    CYS  33           H        CYS  33  -5.325   7.134   7.134
  258    HA   CYS  33           HA       CYS  33  -3.770   7.356   7.356
  259   1HB   CYS  33          2HB       CYS  33  -2.633   6.736   6.736
  260   2HB   CYS  33          1HB       CYS  33  -3.358   7.996   7.996
  261    HA   PRO  34           HA       PRO  34  -4.588  11.506  11.506
  262   1HB   PRO  34          2HB       PRO  34  -2.559  11.928  11.928
  263   2HB   PRO  34          1HB       PRO  34  -4.051  11.110  11.110
  264   1HG   PRO  34          2HG       PRO  34  -1.371   9.953   9.953
  265   2HG   PRO  34          1HG       PRO  34  -2.746   9.241   9.241
  266   1HD   PRO  34          2HD       PRO  34  -1.830   8.643   8.643
  267   2HD   PRO  34          1HD       PRO  34  -3.271   8.018   8.018
  268    H    ARG  35           H        ARG  35  -1.210  10.787  10.787
  269    HA   ARG  35           HA       ARG  35  -1.230  12.815  12.815
  270   1HB   ARG  35          2HB       ARG  35   0.490  14.284  14.284
  271   2HB   ARG  35          1HB       ARG  35  -0.919  14.226  14.226
  272   1HG   ARG  35          2HG       ARG  35   0.558  12.100  12.100
  273   2HG   ARG  35          1HG       ARG  35   1.833  13.191  13.191
  274   1HD   ARG  35          2HD       ARG  35   0.243  14.997  14.997
  275   2HD   ARG  35          1HD       ARG  35  -0.249  13.563  13.563
  276    HE   ARG  35           HE       ARG  35   2.669  13.912  13.912
  277   1HH1  ARG  35          2HH2      ARG  35  -0.190  14.464  14.464
  278   2HH1  ARG  35          1HH2      ARG  35   0.724  14.668  14.668
  279    HH2  ARG  35          1HH       ARG  35   3.113  14.497  14.497
  280    H    ASP  36           H        ASP  36   0.439  12.419  12.419
  281    HA   ASP  36           HA       ASP  36   1.526  10.074  10.074
  282   1HB   ASP  36          2HB       ASP  36   2.054  11.499  11.499
  283   2HB   ASP  36          1HB       ASP  36   2.455  12.832  12.832
  284    HD1  ASP  36          2HD       ASP  36   5.354  11.189  11.189
  285    H    GLY  37           H        GLY  37   3.135   8.781   8.781
  286   1HA   GLY  37          1HA       GLY  37   5.243   8.529   8.529
  287   2HA   GLY  37          2HA       GLY  37   5.055  10.090  10.090
  288    H    ALA  38           H        ALA  38   2.113   9.466   9.466
  289    HA   ALA  38           HA       ALA  38   2.278   8.788   8.788
  290   1HB   ALA  38          2HB       ALA  38   0.126   8.063   8.063
  291   2HB   ALA  38          3HB       ALA  38  -0.089   7.961   7.961
  292   3HB   ALA  38          1HB       ALA  38   0.219   9.536   9.536
  293    H    LYS  39           H        LYS  39   2.933   7.061   7.061
  294    HA   LYS  39           HA       LYS  39   3.830   4.729   4.729
  295   1HB   LYS  39          2HB       LYS  39   4.821   5.750   5.750
  296   2HB   LYS  39          1HB       LYS  39   3.427   5.183   5.183
  297   1HG   LYS  39          2HG       LYS  39   4.044   2.840   2.840
  298   2HG   LYS  39          1HG       LYS  39   5.628   3.574   3.574
  299   1HD   LYS  39          2HD       LYS  39   6.016   2.922   2.922
  300   2HD   LYS  39          1HD       LYS  39   4.915   4.193   4.193
  301   1HE   LYS  39          2HE       LYS  39   3.409   2.663   2.663
  302   2HE   LYS  39          1HE       LYS  39   3.339   1.920   1.920
  303   1HZ   LYS  39          1HZ       LYS  39   5.348   0.637   0.637
  304   2HZ   LYS  39          2HZ       LYS  39   5.362   1.302   1.302
  305    H    CYS  40           H        CYS  40   3.028   2.548   2.548
  306    HA   CYS  40           HA       CYS  40   0.364   2.261   2.261
  307   1HB   CYS  40          2HB       CYS  40   0.012   0.988   0.988
  308   2HB   CYS  40          1HB       CYS  40  -0.662   2.542   2.542
  309    H    GLU  41           H        GLU  41  -0.235  -0.290  -0.290
  310    HA   GLU  41           HA       GLU  41   2.138  -1.883  -1.883
  311   1HB   GLU  41          2HB       GLU  41   0.715  -3.033  -3.033
  312   2HB   GLU  41          1HB       GLU  41   2.252  -2.195  -2.195
  313   1HG   GLU  41          2HG       GLU  41  -0.323  -0.594  -0.594
  314   2HG   GLU  41          1HG       GLU  41   0.201  -1.360  -1.360
  315    HE1  GLU  41          2HE       GLU  41   2.767  -0.158  -0.158
  316    H    PHE  42           H        PHE  42   1.737  -3.605  -3.605
  317    HA   PHE  42           HA       PHE  42  -1.035  -4.150  -4.150
  318   1HB   PHE  42          2HB       PHE  42   0.393  -3.982  -3.982
  319   2HB   PHE  42          1HB       PHE  42   1.752  -4.707  -4.707
  320    HD1  PHE  42          1HD       PHE  42   1.838  -7.171  -7.171
  321    HD2  PHE  42          2HD       PHE  42  -1.175  -5.323  -5.323
  322    HE1  PHE  42          1HE       PHE  42   1.320  -9.380  -9.380
  323    HE2  PHE  42          2HE       PHE  42  -1.693  -7.531  -7.531
  324    HZ   PHE  42           HZ       PHE  42  -0.439  -9.534  -9.534
  325    H    ASP  43           H        ASP  43  -2.152  -5.745  -5.745
  326    HA   ASP  43           HA       ASP  43  -0.782  -7.534  -7.534
  327   1HB   ASP  43          2HB       ASP  43  -3.651  -7.132  -7.132
  328   2HB   ASP  43          1HB       ASP  43  -3.230  -8.598  -8.598
  329    HD2  ASP  43          2HD       ASP  43  -4.763  -7.231  -7.231
  330    H    SER  44           H        SER  44  -0.005  -9.587  -9.587
  331    HA   SER  44           HA       SER  44  -0.289 -10.424 -10.424
  332   1HB   SER  44          2HB       SER  44   1.342 -11.123 -11.123
  333   2HB   SER  44          1HB       SER  44   0.857 -12.546 -12.546
  334    HG   SER  44           HG       SER  44   1.724 -11.544 -11.544
  335    H    TYR  45           H        TYR  45  -2.442 -10.508 -10.508
  336    HA   TYR  45           HA       TYR  45  -3.317 -13.258 -13.258
  337   1HB   TYR  45          2HB       TYR  45  -4.830 -11.217 -11.217
  338   2HB   TYR  45          1HB       TYR  45  -4.404 -12.858 -12.858
  339    HD1  TYR  45           HD1      TYR  45  -1.617 -13.106 -13.106
  340    HD2  TYR  45           HD2      TYR  45  -3.927  -9.613  -9.613
  341    HE1  TYR  45           HE1      TYR  45   0.266 -12.219 -12.219
  342    HE2  TYR  45           HE2      TYR  45  -2.037  -8.738  -8.738
  343    HH   TYR  45           HH       TYR  45   0.541  -9.116  -9.116
  344    H    LYS  46           H        LYS  46  -4.360  -9.847  -9.847
  345    HA   LYS  46           HA       LYS  46  -6.539 -10.925 -10.925
  346   1HB   LYS  46          2HB       LYS  46  -6.452  -8.646  -8.646
  347   2HB   LYS  46          1HB       LYS  46  -7.475  -8.497  -8.497
  348   1HG   LYS  46          2HG       LYS  46  -7.759 -11.151 -11.151
  349   2HG   LYS  46          1HG       LYS  46  -8.076  -9.887  -9.887
  350   1HD   LYS  46          2HD       LYS  46  -9.587  -8.806  -8.806
  351   2HD   LYS  46          1HD       LYS  46  -9.462 -10.337 -10.337
  352   1HE   LYS  46          2HE       LYS  46 -10.307 -10.235 -10.235
  353   2HE   LYS  46          1HE       LYS  46 -11.475  -9.980  -9.980
  354   1HZ   LYS  46          1HZ       LYS  46  -9.732 -12.380 -12.380
  355   2HZ   LYS  46          2HZ       LYS  46 -11.254 -12.346 -12.346
  356    H    GLY  47           H        GLY  47  -3.958  -8.457  -8.457
  357   1HA   GLY  47          1HA       GLY  47  -2.622  -7.609  -7.609
  358   2HA   GLY  47          2HA       GLY  47  -3.615  -8.371  -8.371
  359    H    LYS  48           H        LYS  48  -3.985  -5.840  -5.840
  360    HA   LYS  48           HA       LYS  48  -5.664  -4.347  -4.347
  361   1HB   LYS  48          2HB       LYS  48  -5.336  -4.061  -4.061
  362   2HB   LYS  48          1HB       LYS  48  -6.416  -3.115  -3.115
  363   1HG   LYS  48          2HG       LYS  48  -6.583  -6.047  -6.047
  364   2HG   LYS  48          1HG       LYS  48  -7.831  -4.821  -4.821
  365   1HD   LYS  48          2HD       LYS  48  -7.835  -4.715  -4.715
  366   2HD   LYS  48          1HD       LYS  48  -6.698  -6.049  -6.049
  367   1HE   LYS  48          2HE       LYS  48  -8.384  -7.546  -7.546
  368   2HE   LYS  48          1HE       LYS  48  -8.895  -6.767  -6.767
  369   1HZ   LYS  48          1HZ       LYS  48  -9.826  -6.205  -6.205
  370   2HZ   LYS  48          2HZ       LYS  48 -10.720  -6.515  -6.515
  371    H    CYS  49           H        CYS  49  -3.748  -3.037  -3.037
  372    HA   CYS  49           HA       CYS  49  -1.482  -2.234  -2.234
  373   1HB   CYS  49          2HB       CYS  49  -2.041   0.124   0.124
  374   2HB   CYS  49          1HB       CYS  49  -2.180  -1.261  -1.261
  375    H    TYR  50           H        TYR  50  -4.430  -1.536  -1.536
  376    HA   TYR  50           HA       TYR  50  -4.883  -0.200  -0.200
  377   1HB   TYR  50          2HB       TYR  50  -2.198  -1.590  -1.590
  378   2HB   TYR  50          1HB       TYR  50  -3.020  -0.701  -0.701
  379    HD1  TYR  50           HD2      TYR  50  -3.512  -3.516  -3.516
  380    HD2  TYR  50           HD1      TYR  50  -4.668  -1.747  -1.747
  381    HE1  TYR  50           HE2      TYR  50  -4.896  -5.575  -5.575
  382    HE2  TYR  50           HE1      TYR  50  -6.049  -3.812  -3.812
  383    HH   TYR  50           HH       TYR  50  -6.963  -6.008  -6.008
  384    H    CYS  51           H        CYS  51  -4.577   1.837   1.837
  385    HA   CYS  51           HA       CYS  51  -2.066   3.181   3.181
  386   1HB   CYS  51          2HB       CYS  51  -4.495   4.031   4.031
  387   2HB   CYS  51          1HB       CYS  51  -3.021   4.966   4.966

  Start of MODEL   40
    1    H    ALA   1           H        ALA   1   4.371 -10.846 -10.846
    2    HA   ALA   1           HA       ALA   1   4.923 -11.053 -11.053
    3   1HB   ALA   1          3HB       ALA   1   2.482 -12.524 -12.524
    4   2HB   ALA   1          1HB       ALA   1   2.456 -11.777 -11.777
    5   3HB   ALA   1          2HB       ALA   1   3.808 -12.835 -12.835
    6    H    THR   2           H        THR   2   2.717  -8.784  -8.784
    7    HA   THR   2           HA       THR   2   1.763  -7.566  -7.566
    8    HB   THR   2           HB       THR   2   2.601  -6.075  -6.075
    9    HG1  THR   2          1HG       THR   2   0.297  -7.832  -7.832
   10   1HG2  THR   2          3HG2      THR   2   1.270  -4.961  -4.961
   11   2HG2  THR   2          1HG2      THR   2  -0.042  -6.102  -6.102
   12   3HG2  THR   2          2HG2      THR   2   0.493  -4.920  -4.920
   13    H    TYR   3           H        TYR   3   2.601  -6.324  -6.324
   14    HA   TYR   3           HA       TYR   3   5.475  -5.876  -5.876
   15   1HB   TYR   3          2HB       TYR   3   3.399  -5.312  -5.312
   16   2HB   TYR   3          1HB       TYR   3   5.125  -5.512  -5.512
   17    HD1  TYR   3           HD1      TYR   3   5.921  -7.932  -7.932
   18    HD2  TYR   3           HD2      TYR   3   2.165  -7.056  -7.056
   19    HE1  TYR   3           HE1      TYR   3   5.566 -10.406 -10.406
   20    HE2  TYR   3           HE2      TYR   3   1.823  -9.533  -9.533
   21    HH   TYR   3           HH       TYR   3   2.840 -11.502 -11.502
   22    H    ASN   4           H        ASN   4   6.264  -3.963  -3.963
   23    HA   ASN   4           HA       ASN   4   4.514  -1.779  -1.779
   24   1HB   ASN   4          2HB       ASN   4   7.531  -1.487  -1.487
   25   2HB   ASN   4          1HB       ASN   4   6.337  -0.753  -0.753
   26   1HD2  ASN   4          2HD2      ASN   4   5.720  -3.871  -3.871
   27   2HD2  ASN   4          1HD2      ASN   4   4.830  -2.672  -2.672
   28    H    GLY   5           H        GLY   5   4.884   0.415   0.415
   29   1HA   GLY   5          1HA       GLY   5   6.653   0.915   0.915
   30   2HA   GLY   5          2HA       GLY   5   5.195   0.260   0.260
   31    H    LYS   6           H        LYS   6   4.615   2.258   2.258
   32    HA   LYS   6           HA       LYS   6   3.368   4.115   4.115
   33   1HB   LYS   6          2HB       LYS   6   4.998   5.302   5.302
   34   2HB   LYS   6          1HB       LYS   6   4.474   6.017   6.017
   35   1HG   LYS   6          2HG       LYS   6   6.769   5.636   5.636
   36   2HG   LYS   6          1HG       LYS   6   6.022   4.246   4.246
   37   1HD   LYS   6          2HD       LYS   6   6.783   2.762   2.762
   38   2HD   LYS   6          1HD       LYS   6   6.693   3.947   3.947
   39   1HE   LYS   6          2HE       LYS   6   8.708   4.527   4.527
   40   2HE   LYS   6          1HE       LYS   6   9.044   3.118   3.118
   41   1HZ   LYS   6          1HZ       LYS   6   8.656   5.896   5.896
   42   2HZ   LYS   6          2HZ       LYS   6   9.987   4.972   4.972
   43    H    CYS   7           H        CYS   7   1.809   5.583   5.583
   44    HA   CYS   7           HA       CYS   7   0.931   4.343   4.343
   45   1HB   CYS   7          2HB       CYS   7  -0.549   3.489   3.489
   46   2HB   CYS   7          1HB       CYS   7  -0.740   5.059   5.059
   47    H    TYR   8           H        TYR   8  -0.335   5.888   5.888
   48    HA   TYR   8           HA       TYR   8   0.399   8.670   8.670
   49   1HB   TYR   8          2HB       TYR   8  -0.111   7.252   7.252
   50   2HB   TYR   8          1HB       TYR   8   0.546   8.865   8.865
   51    HD1  TYR   8           HD1      TYR   8   2.323   7.795   7.795
   52    HD2  TYR   8           HD2      TYR   8   1.834   6.683   6.683
   53    HE1  TYR   8           HE1      TYR   8   4.678   6.837   6.837
   54    HE2  TYR   8           HE2      TYR   8   4.190   5.728   5.728
   55    HH   TYR   8           HH       TYR   8   6.418   6.393   6.393
   56    H    LYS   9           H        LYS   9  -1.122  10.332  10.332
   57    HA   LYS   9           HA       LYS   9  -3.848   9.384   9.384
   58   1HB   LYS   9          2HB       LYS   9  -4.403  11.688  11.688
   59   2HB   LYS   9          1HB       LYS   9  -3.070  11.168  11.168
   60   1HG   LYS   9          2HG       LYS   9  -1.459  12.248  12.248
   61   2HG   LYS   9          1HG       LYS   9  -2.815  12.808  12.808
   62   1HD   LYS   9          2HD       LYS   9  -2.826  13.466  13.466
   63   2HD   LYS   9          1HD       LYS   9  -1.694  14.334  14.334
   64   1HE   LYS   9          2HE       LYS   9  -3.945  14.536  14.536
   65   2HE   LYS   9          1HE       LYS   9  -4.688  14.444  14.444
   66   1HZ   LYS   9          1HZ       LYS   9  -2.593  16.213  16.213
   67   2HZ   LYS   9          2HZ       LYS   9  -3.240  16.616  16.616
   68    H    LYS  10           H        LYS  10  -1.786  11.455  11.455
   69    HA   LYS  10           HA       LYS  10  -3.704  12.006  12.006
   70   1HB   LYS  10          2HB       LYS  10  -0.966  12.455  12.455
   71   2HB   LYS  10          1HB       LYS  10  -1.064  11.579  11.579
   72   1HG   LYS  10          2HG       LYS  10  -2.944  13.216  13.216
   73   2HG   LYS  10          1HG       LYS  10  -2.510  14.162  14.162
   74   1HD   LYS  10          2HD       LYS  10  -0.173  14.378  14.378
   75   2HD   LYS  10          1HD       LYS  10  -0.585  13.407  13.407
   76   1HE   LYS  10          2HE       LYS  10  -2.550  15.296  15.296
   77   2HE   LYS  10          1HE       LYS  10  -1.322  16.246  16.246
   78   1HZ   LYS  10          1HZ       LYS  10  -0.001  16.207  16.207
   79   2HZ   LYS  10          2HZ       LYS  10  -0.358  14.670  14.670
   80    H    ASP  11           H        ASP  11  -1.861   9.032   9.032
   81    HA   ASP  11           HA       ASP  11  -3.027   7.902   7.902
   82   1HB   ASP  11          2HB       ASP  11  -0.911   6.716   6.716
   83   2HB   ASP  11          1HB       ASP  11  -1.391   6.077   6.077
   84    HD1  ASP  11          2HD       ASP  11  -0.749   9.606   9.606
   85    H    ASN  12           H        ASN  12  -3.261   8.097   8.097
   86    HA   ASN  12           HA       ASN  12  -4.295   6.965   6.965
   87   1HB   ASN  12          2HB       ASN  12  -6.148   7.647   7.647
   88   2HB   ASN  12          1HB       ASN  12  -6.332   5.907   5.907
   89   1HD2  ASN  12          2HD2      ASN  12  -8.448   5.763   5.763
   90   2HD2  ASN  12          1HD2      ASN  12  -7.960   5.224   5.224
   91    H    ILE  13           H        ILE  13  -2.197   5.423   5.423
   92    HA   ILE  13           HA       ILE  13  -3.291   2.736   2.736
   93    HB   ILE  13           HB       ILE  13  -1.409   2.129   2.129
   94   1HG1  ILE  13          2HG1      ILE  13  -1.051   3.794   3.794
   95   2HG1  ILE  13          3HG1      ILE  13  -2.029   4.964   4.964
   96   1HG2  ILE  13          1HG2      ILE  13  -4.163   3.192   3.192
   97   2HG2  ILE  13          2HG2      ILE  13  -3.119   2.553   2.553
   98   3HG2  ILE  13          3HG2      ILE  13  -3.591   1.508   1.508
   99   1HD1  ILE  13          1HD1      ILE  13   0.304   3.691   3.691
  100   2HD1  ILE  13          2HD1      ILE  13   0.613   4.983   4.983
  101   3HD1  ILE  13          3HD1      ILE  13  -0.419   5.301   5.301
  102    H    CYS  14           H        CYS  14  -1.920   1.249   1.249
  103    HA   CYS  14           HA       CYS  14   0.087   2.606   2.606
  104   1HB   CYS  14          2HB       CYS  14  -1.080   1.442   1.442
  105   2HB   CYS  14          1HB       CYS  14  -1.679   0.285   0.285
  106    H    LYS  15           H        LYS  15   2.154   2.588   2.588
  107    HA   LYS  15           HA       LYS  15   2.893   0.375   0.375
  108   1HB   LYS  15          2HB       LYS  15   3.522   3.226   3.226
  109   2HB   LYS  15          1HB       LYS  15   4.962   2.238   2.238
  110   1HG   LYS  15          2HG       LYS  15   4.475   2.289   2.289
  111   2HG   LYS  15          1HG       LYS  15   3.379   0.982   0.982
  112   1HD   LYS  15          2HD       LYS  15   1.489   2.306   2.306
  113   2HD   LYS  15          1HD       LYS  15   2.289   3.739   3.739
  114   1HE   LYS  15          2HE       LYS  15   3.211   4.299   4.299
  115   2HE   LYS  15          1HE       LYS  15   3.158   2.647   2.647
  116   1HZ   LYS  15          1HZ       LYS  15   1.397   4.246   4.246
  117   2HZ   LYS  15          2HZ       LYS  15   0.844   2.805   2.805
  118    H    TYR  16           H        TYR  16   3.640  -1.362  -1.362
  119    HA   TYR  16           HA       TYR  16   5.747  -0.814  -0.814
  120   1HB   TYR  16          2HB       TYR  16   4.668  -2.606  -2.606
  121   2HB   TYR  16          1HB       TYR  16   3.525  -1.311  -1.311
  122    HD1  TYR  16           HD1      TYR  16   1.949  -1.634  -1.634
  123    HD2  TYR  16           HD2      TYR  16   4.024  -4.809  -4.809
  124    HE1  TYR  16           HE1      TYR  16   0.297  -3.316  -3.316
  125    HE2  TYR  16           HE2      TYR  16   2.365  -6.480  -6.480
  126    HH   TYR  16           HH       TYR  16   0.310  -6.645  -6.645
  127    H    LYS  17           H        LYS  17   6.417  -3.403  -3.403
  128    HA   LYS  17           HA       LYS  17   7.641  -4.273  -4.273
  129   1HB   LYS  17          2HB       LYS  17   7.932  -4.911  -4.911
  130   2HB   LYS  17          1HB       LYS  17   8.545  -6.051  -6.051
  131   1HG   LYS  17          2HG       LYS  17   9.241  -3.211  -3.211
  132   2HG   LYS  17          1HG       LYS  17   9.927  -3.836  -3.836
  133   1HD   LYS  17          2HD       LYS  17  10.875  -5.784  -5.784
  134   2HD   LYS  17          1HD       LYS  17  10.185  -5.165  -5.165
  135   1HE   LYS  17          2HE       LYS  17  11.762  -3.482  -3.482
  136   2HE   LYS  17          1HE       LYS  17  11.864  -3.217  -3.217
  137   1HZ   LYS  17          1HZ       LYS  17  12.863  -5.798  -5.798
  138   2HZ   LYS  17          2HZ       LYS  17  13.713  -4.558  -4.558
  139    H    ALA  18           H        ALA  18   7.511  -6.497  -6.497
  140    HA   ALA  18           HA       ALA  18   4.850  -7.626  -7.626
  141   1HB   ALA  18          1HB       ALA  18   5.370  -6.655  -6.655
  142   2HB   ALA  18          2HB       ALA  18   6.546  -7.977  -7.977
  143   3HB   ALA  18          3HB       ALA  18   4.818  -8.347  -8.347
  144    H    GLN  19           H        GLN  19   7.027  -8.152  -8.152
  145    HA   GLN  19           HA       GLN  19   7.961  -9.837  -9.837
  146   1HB   GLN  19          2HB       GLN  19   6.118 -11.266 -11.266
  147   2HB   GLN  19          1HB       GLN  19   6.128 -11.325 -11.325
  148   1HG   GLN  19          2HG       GLN  19   6.883 -13.486 -13.486
  149   2HG   GLN  19          1HG       GLN  19   8.220 -12.702 -12.702
  150   1HE2  GLN  19          2HE2      GLN  19   8.135 -12.740 -12.740
  151   2HE2  GLN  19          1HE2      GLN  19   6.684 -12.612 -12.612
  152    H    SER  20           H        SER  20   7.901 -10.695 -10.695
  153    HA   SER  20           HA       SER  20  10.252 -12.002 -12.002
  154   1HB   SER  20          2HB       SER  20  10.152 -10.445 -10.445
  155   2HB   SER  20          1HB       SER  20   9.569 -12.082 -12.082
  156    HG   SER  20           HG       SER  20   7.625 -11.268 -11.268
  157    H    GLY  21           H        GLY  21   9.662  -8.521  -8.521
  158   1HA   GLY  21          1HA       GLY  21  11.496  -7.334  -7.334
  159   2HA   GLY  21          2HA       GLY  21  12.586  -8.065  -8.065
  160    H    LYS  22           H        LYS  22  10.083  -7.716  -7.716
  161    HA   LYS  22           HA       LYS  22  11.102  -5.331  -5.331
  162   1HB   LYS  22          2HB       LYS  22  10.261  -7.266  -7.266
  163   2HB   LYS  22          1HB       LYS  22   8.641  -6.957  -6.957
  164   1HG   LYS  22          2HG       LYS  22   9.107  -4.492  -4.492
  165   2HG   LYS  22          1HG       LYS  22  10.312  -5.307  -5.307
  166   1HD   LYS  22          2HD       LYS  22   8.591  -6.837  -6.837
  167   2HD   LYS  22          1HD       LYS  22   7.373  -6.133  -6.133
  168   1HE   LYS  22          2HE       LYS  22   8.936  -4.508  -4.508
  169   2HE   LYS  22          1HE       LYS  22   7.394  -5.263  -5.263
  170   1HZ   LYS  22          1HZ       LYS  22   7.249  -3.764  -3.764
  171   2HZ   LYS  22          2HZ       LYS  22   7.760  -2.810  -2.810
  172    H    THR  23           H        THR  23   7.677  -5.387  -5.387
  173    HA   THR  23           HA       THR  23   7.114  -3.780  -3.780
  174    HB   THR  23           HB       THR  23   7.455  -2.497  -2.497
  175    HG1  THR  23          1HG       THR  23   9.337  -2.221  -2.221
  176   1HG2  THR  23          2HG2      THR  23   5.574  -1.828  -1.828
  177   2HG2  THR  23          3HG2      THR  23   6.824  -0.568  -0.568
  178   3HG2  THR  23          1HG2      THR  23   5.836  -0.994  -0.994
  179    H    ALA  24           H        ALA  24   4.871  -3.398  -3.398
  180    HA   ALA  24           HA       ALA  24   3.172  -4.648  -4.648
  181   1HB   ALA  24          1HB       ALA  24   3.551  -5.421  -5.421
  182   2HB   ALA  24          2HB       ALA  24   1.910  -5.505  -5.505
  183   3HB   ALA  24          3HB       ALA  24   3.231  -6.442  -6.442
  184    H    ILE  25           H        ILE  25   1.211  -3.596  -3.596
  185    HA   ILE  25           HA       ILE  25   0.819  -1.227  -1.227
  186    HB   ILE  25           HB       ILE  25  -0.193  -1.550  -1.550
  187   1HG1  ILE  25          2HG1      ILE  25   2.476  -0.350  -0.350
  188   2HG1  ILE  25          3HG1      ILE  25   2.275  -1.915  -1.915
  189   1HG2  ILE  25          2HG2      ILE  25   0.106   0.699   0.699
  190   2HG2  ILE  25          3HG2      ILE  25   0.137   1.033   1.033
  191   3HG2  ILE  25          1HG2      ILE  25  -1.283   0.248   0.248
  192   1HD1  ILE  25          3HD1      ILE  25   0.976  -0.683  -0.683
  193   2HD1  ILE  25          1HD1      ILE  25   1.609   0.819   0.819
  194   3HD1  ILE  25          2HD1      ILE  25   2.733  -0.404  -0.404
  195    H    CYS  26           H        CYS  26  -1.258  -0.787  -0.787
  196    HA   CYS  26           HA       CYS  26  -3.371  -2.627  -2.627
  197   1HB   CYS  26          2HB       CYS  26  -3.839  -3.186  -3.186
  198   2HB   CYS  26          1HB       CYS  26  -2.371  -3.904  -3.904
  199    H    LYS  27           H        LYS  27  -4.870  -1.080  -1.080
  200    HA   LYS  27           HA       LYS  27  -4.939   1.522   1.522
  201   1HB   LYS  27          2HB       LYS  27  -7.445  -0.170  -0.170
  202   2HB   LYS  27          1HB       LYS  27  -7.258   1.513   1.513
  203   1HG   LYS  27          2HG       LYS  27  -5.348   0.513   0.513
  204   2HG   LYS  27          1HG       LYS  27  -6.286  -0.957  -0.957
  205   1HD   LYS  27          2HD       LYS  27  -8.350   0.634   0.634
  206   2HD   LYS  27          1HD       LYS  27  -7.119   1.685   1.685
  207   1HE   LYS  27          2HE       LYS  27  -6.301  -0.228  -0.228
  208   2HE   LYS  27          1HE       LYS  27  -7.589  -1.231  -1.231
  209   1HZ   LYS  27          1HZ       LYS  27  -7.979   0.075   0.075
  210   2HZ   LYS  27          2HZ       LYS  27  -9.193   0.023   0.023
  211    H    CYS  28           H        CYS  28  -5.876   2.903   2.903
  212    HA   CYS  28           HA       CYS  28  -5.732   1.784   1.784
  213   1HB   CYS  28          2HB       CYS  28  -5.183   4.232   4.232
  214   2HB   CYS  28          1HB       CYS  28  -6.772   4.532   4.532
  215    H    TYR  29           H        TYR  29  -7.449   0.840   0.840
  216    HA   TYR  29           HA       TYR  29 -10.119   1.341   1.341
  217   1HB   TYR  29          2HB       TYR  29 -10.532  -0.860  -0.860
  218   2HB   TYR  29          1HB       TYR  29  -8.818  -0.971  -0.971
  219    HD1  TYR  29           HD1      TYR  29  -7.152  -0.919  -0.919
  220    HD2  TYR  29           HD2      TYR  29 -11.354  -0.865  -0.865
  221    HE1  TYR  29           HE1      TYR  29  -6.705  -1.549  -1.549
  222    HE2  TYR  29           HE2      TYR  29 -10.893  -1.495  -1.495
  223    HH   TYR  29           HH       TYR  29  -7.680  -2.388  -2.388
  224    H    VAL  30           H        VAL  30  -8.301   2.965   2.965
  225    HA   VAL  30           HA       VAL  30 -10.214   2.960   2.960
  226    HB   VAL  30           HB       VAL  30  -8.534   4.147   4.147
  227   1HG1  VAL  30          1HG1      VAL  30  -7.950   1.595   1.595
  228   2HG1  VAL  30          2HG1      VAL  30  -6.499   2.430   2.430
  229   3HG1  VAL  30          3HG1      VAL  30  -7.836   2.047   2.047
  230   1HG2  VAL  30          2HG2      VAL  30  -7.619   4.951   4.951
  231   2HG2  VAL  30          3HG2      VAL  30  -7.078   5.516   5.516
  232   3HG2  VAL  30          1HG2      VAL  30  -6.280   4.123   4.123
  233    H    LYS  31           H        LYS  31  -9.052   5.862   5.862
  234    HA   LYS  31           HA       LYS  31 -11.158   7.106   7.106
  235   1HB   LYS  31          2HB       LYS  31 -10.201   7.403   7.403
  236   2HB   LYS  31          1HB       LYS  31  -9.943   8.920   8.920
  237   1HG   LYS  31          2HG       LYS  31 -12.356   8.782   8.782
  238   2HG   LYS  31          1HG       LYS  31 -12.573   7.383   7.383
  239   1HD   LYS  31          2HD       LYS  31 -13.069   8.798   8.798
  240   2HD   LYS  31          1HD       LYS  31 -11.393   9.312   9.312
  241   1HE   LYS  31          2HE       LYS  31 -12.752  11.305  11.305
  242   2HE   LYS  31          1HE       LYS  31 -11.979  11.018  11.018
  243   1HZ   LYS  31          1HZ       LYS  31 -14.784  10.881  10.881
  244   2HZ   LYS  31          2HZ       LYS  31 -14.084  11.138  11.138
  245    H    LYS  32           H        LYS  32  -9.094   6.296   6.296
  246    HA   LYS  32           HA       LYS  32  -7.623   7.004   7.004
  247   1HB   LYS  32          2HB       LYS  32  -9.267   8.514   8.514
  248   2HB   LYS  32          1HB       LYS  32  -9.056   9.591   9.591
  249   1HG   LYS  32          2HG       LYS  32  -6.488   9.311   9.311
  250   2HG   LYS  32          1HG       LYS  32  -7.668   9.612   9.612
  251   1HD   LYS  32          2HD       LYS  32  -6.675  11.718  11.718
  252   2HD   LYS  32          1HD       LYS  32  -8.425  11.658  11.658
  253   1HE   LYS  32          2HE       LYS  32  -8.446  11.285  11.285
  254   2HE   LYS  32          1HE       LYS  32  -6.841  10.580  10.580
  255   1HZ   LYS  32          1HZ       LYS  32  -5.861  12.703  12.703
  256   2HZ   LYS  32          2HZ       LYS  32  -7.228  13.432  13.432
  257    H    CYS  33           H        CYS  33  -5.439   7.651   7.651
  258    HA   CYS  33           HA       CYS  33  -4.070   7.800   7.800
  259   1HB   CYS  33          2HB       CYS  33  -3.356   7.168   7.168
  260   2HB   CYS  33          1HB       CYS  33  -2.817   8.835   8.835
  261    HA   PRO  34           HA       PRO  34  -4.348  12.078  12.078
  262   1HB   PRO  34          2HB       PRO  34  -2.369  12.342  12.342
  263   2HB   PRO  34          1HB       PRO  34  -3.973  11.748  11.748
  264   1HG   PRO  34          2HG       PRO  34  -1.448  10.232  10.232
  265   2HG   PRO  34          1HG       PRO  34  -2.942   9.751   9.751
  266   1HD   PRO  34          2HD       PRO  34  -1.987   8.886   8.886
  267   2HD   PRO  34          1HD       PRO  34  -3.532   8.497   8.497
  268    H    ARG  35           H        ARG  35  -1.263  10.726  10.726
  269    HA   ARG  35           HA       ARG  35  -0.868  12.638  12.638
  270   1HB   ARG  35          2HB       ARG  35   1.040  13.934  13.934
  271   2HB   ARG  35          1HB       ARG  35  -0.467  14.241  14.241
  272   1HG   ARG  35          2HG       ARG  35   0.710  11.974  11.974
  273   2HG   ARG  35          1HG       ARG  35   2.009  13.126  13.126
  274   1HD   ARG  35          2HD       ARG  35   0.237  14.888  14.888
  275   2HD   ARG  35          1HD       ARG  35  -0.556  13.468  13.468
  276    HE   ARG  35           HE       ARG  35   2.335  13.636  13.636
  277   1HH1  ARG  35          2HH2      ARG  35  -0.935  14.340  14.340
  278   2HH1  ARG  35          1HH2      ARG  35  -0.450  14.457  14.457
  279    HH2  ARG  35          1HH       ARG  35   1.853  14.131  14.131
  280    H    ASP  36           H        ASP  36   1.186  12.248  12.248
  281    HA   ASP  36           HA       ASP  36   1.909   9.640   9.640
  282   1HB   ASP  36          2HB       ASP  36   2.630  10.758  10.758
  283   2HB   ASP  36          1HB       ASP  36   3.030  12.215  12.215
  284    HD2  ASP  36          2HD       ASP  36   5.814  11.635  11.635
  285    H    GLY  37           H        GLY  37   3.326   8.363   8.363
  286   1HA   GLY  37          1HA       GLY  37   5.460   8.176   8.176
  287   2HA   GLY  37          2HA       GLY  37   5.220   9.770   9.770
  288    H    ALA  38           H        ALA  38   2.216   9.079   9.079
  289    HA   ALA  38           HA       ALA  38   2.238   8.526   8.526
  290   1HB   ALA  38          2HB       ALA  38   0.333   9.156   9.156
  291   2HB   ALA  38          3HB       ALA  38   0.059   7.397   7.397
  292   3HB   ALA  38          1HB       ALA  38  -0.072   8.277   8.277
  293    H    LYS  39           H        LYS  39   3.103   6.870   6.870
  294    HA   LYS  39           HA       LYS  39   3.874   4.467   4.467
  295   1HB   LYS  39          2HB       LYS  39   4.873   5.526   5.526
  296   2HB   LYS  39          1HB       LYS  39   3.456   5.036   5.036
  297   1HG   LYS  39          2HG       LYS  39   4.001   2.630   2.630
  298   2HG   LYS  39          1HG       LYS  39   5.605   3.303   3.303
  299   1HD   LYS  39          2HD       LYS  39   5.622   3.946   3.946
  300   2HD   LYS  39          1HD       LYS  39   4.074   3.147   3.147
  301   1HE   LYS  39          2HE       LYS  39   5.603   1.192   1.192
  302   2HE   LYS  39          1HE       LYS  39   6.782   1.968   1.968
  303   1HZ   LYS  39          1HZ       LYS  39   4.511   1.651   1.651
  304   2HZ   LYS  39          2HZ       LYS  39   4.659   0.241   0.241
  305    H    CYS  40           H        CYS  40   3.040   2.302   2.302
  306    HA   CYS  40           HA       CYS  40   0.503   1.926   1.926
  307   1HB   CYS  40          2HB       CYS  40  -0.647   2.765   2.765
  308   2HB   CYS  40          1HB       CYS  40   0.635   2.445   2.445
  309    H    GLU  41           H        GLU  41  -0.149  -0.442  -0.442
  310    HA   GLU  41           HA       GLU  41   2.133  -2.041  -2.041
  311   1HB   GLU  41          2HB       GLU  41   0.519  -2.954  -2.954
  312   2HB   GLU  41          1HB       GLU  41   2.199  -3.270  -3.270
  313   1HG   GLU  41          2HG       GLU  41   2.819  -0.954  -0.954
  314   2HG   GLU  41          1HG       GLU  41   1.137  -0.528  -0.528
  315    HE2  GLU  41          2HE       GLU  41   1.939  -0.920  -0.920
  316    H    PHE  42           H        PHE  42   1.616  -4.045  -4.045
  317    HA   PHE  42           HA       PHE  42  -1.205  -4.263  -4.263
  318   1HB   PHE  42          2HB       PHE  42   0.537  -4.100  -4.100
  319   2HB   PHE  42          1HB       PHE  42   1.434  -5.422  -5.422
  320    HD1  PHE  42          1HD       PHE  42   0.477  -7.733  -7.733
  321    HD2  PHE  42          2HD       PHE  42  -1.279  -4.509  -4.509
  322    HE1  PHE  42          1HE       PHE  42  -0.775  -9.365  -9.365
  323    HE2  PHE  42          2HE       PHE  42  -2.531  -6.141  -6.141
  324    HZ   PHE  42           HZ       PHE  42  -2.264  -8.549  -8.549
  325    H    ASP  43           H        ASP  43  -2.350  -5.583  -5.583
  326    HA   ASP  43           HA       ASP  43  -1.108  -7.564  -7.564
  327   1HB   ASP  43          2HB       ASP  43  -4.038  -7.144  -7.144
  328   2HB   ASP  43          1HB       ASP  43  -3.503  -8.290  -8.290
  329    HD2  ASP  43          2HD       ASP  43  -3.905  -5.824  -5.824
  330    H    SER  44           H        SER  44  -0.195  -9.371  -9.371
  331    HA   SER  44           HA       SER  44  -1.249 -10.302 -10.302
  332   1HB   SER  44          2HB       SER  44   0.687 -11.549 -11.549
  333   2HB   SER  44          1HB       SER  44   1.215 -10.382 -10.382
  334    HG   SER  44           HG       SER  44   0.448 -11.974 -11.974
  335    H    TYR  45           H        TYR  45  -2.445 -10.528 -10.528
  336    HA   TYR  45           HA       TYR  45  -2.998 -13.328 -13.328
  337   1HB   TYR  45          2HB       TYR  45  -4.531 -11.047 -11.047
  338   2HB   TYR  45          1HB       TYR  45  -4.120 -12.605 -12.605
  339    HD1  TYR  45           HD1      TYR  45  -1.158 -12.633 -12.633
  340    HD2  TYR  45           HD2      TYR  45  -3.653  -9.595  -9.595
  341    HE1  TYR  45           HE1      TYR  45   0.865 -11.592 -11.592
  342    HE2  TYR  45           HE2      TYR  45  -1.621  -8.565  -8.565
  343    HH   TYR  45           HH       TYR  45   0.623  -9.418  -9.418
  344    H    LYS  46           H        LYS  46  -4.648 -10.397 -10.397
  345    HA   LYS  46           HA       LYS  46  -6.747 -12.178 -12.178
  346   1HB   LYS  46          2HB       LYS  46  -7.254  -9.351  -9.351
  347   2HB   LYS  46          1HB       LYS  46  -8.433 -10.556 -10.556
  348   1HG   LYS  46          2HG       LYS  46  -7.296 -11.992 -11.992
  349   2HG   LYS  46          1HG       LYS  46  -6.773 -10.421 -10.421
  350   1HD   LYS  46          2HD       LYS  46  -9.346  -9.780  -9.780
  351   2HD   LYS  46          1HD       LYS  46  -9.578 -11.510 -11.510
  352   1HE   LYS  46          2HE       LYS  46  -7.819 -10.293 -10.293
  353   2HE   LYS  46          1HE       LYS  46  -9.486  -9.755  -9.755
  354   1HZ   LYS  46          1HZ       LYS  46  -8.615 -12.596 -12.596
  355   2HZ   LYS  46          2HZ       LYS  46  -9.200 -11.766 -11.766
  356    H    GLY  47           H        GLY  47  -4.923  -9.078  -9.078
  357   1HA   GLY  47          1HA       GLY  47  -3.850  -8.607  -8.607
  358   2HA   GLY  47          2HA       GLY  47  -5.177  -9.377  -9.377
  359    H    LYS  48           H        LYS  48  -5.587  -7.184  -7.184
  360    HA   LYS  48           HA       LYS  48  -7.413  -5.585  -5.585
  361   1HB   LYS  48          2HB       LYS  48  -6.219  -5.380  -5.380
  362   2HB   LYS  48          1HB       LYS  48  -7.355  -4.205  -4.205
  363   1HG   LYS  48          2HG       LYS  48  -7.953  -7.194  -7.194
  364   2HG   LYS  48          1HG       LYS  48  -8.343  -6.166  -6.166
  365   1HD   LYS  48          2HD       LYS  48  -9.808  -4.770  -4.770
  366   2HD   LYS  48          1HD       LYS  48  -9.299  -5.598  -5.598
  367   1HE   LYS  48          2HE       LYS  48 -10.501  -7.225  -7.225
  368   2HE   LYS  48          1HE       LYS  48 -11.568  -6.280  -6.280
  369   1HZ   LYS  48          1HZ       LYS  48 -11.432  -8.212  -8.212
  370   2HZ   LYS  48          2HZ       LYS  48 -10.154  -7.455  -7.455
  371    H    CYS  49           H        CYS  49  -5.562  -3.489  -3.489
  372    HA   CYS  49           HA       CYS  49  -3.356  -2.803  -2.803
  373   1HB   CYS  49          2HB       CYS  49  -4.083  -2.654  -2.654
  374   2HB   CYS  49          1HB       CYS  49  -5.678  -2.080  -2.080
  375    H    TYR  50           H        TYR  50  -3.226  -2.101  -2.101
  376    HA   TYR  50           HA       TYR  50  -5.001  -0.186  -0.186
  377   1HB   TYR  50          2HB       TYR  50  -2.190  -1.276  -1.276
  378   2HB   TYR  50          1HB       TYR  50  -2.829   0.005   0.005
  379    HD1  TYR  50           HD2      TYR  50  -4.397  -3.095  -3.095
  380    HD2  TYR  50           HD1      TYR  50  -3.391  -0.862  -0.862
  381    HE1  TYR  50           HE2      TYR  50  -5.582  -4.818  -4.818
  382    HE2  TYR  50           HE1      TYR  50  -4.580  -2.593  -2.593
  383    HH   TYR  50           HH       TYR  50  -6.172  -4.248  -4.248
  384    H    CYS  51           H        CYS  51  -4.715   1.073   1.073
  385    HA   CYS  51           HA       CYS  51  -2.406   2.768   2.768
  386   1HB   CYS  51          2HB       CYS  51  -4.854   3.196   3.196
  387   2HB   CYS  51          1HB       CYS  51  -3.186   3.602   3.602