*HEADER    ELECTRON TRANSPORT                      18-JUN-09   2KKD              
*TITLE     NMR STRUCTURE OF NI SUBSTITUED DESULFOVIBRIO VULGARIS                 
*TITLE    2 RUBREDOXIN                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RUBREDOXIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RD;                                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS STR.                     
*SOURCE   3 HILDENBOROUGH;                                                       
*SOURCE   4 ORGANISM_TAXID: 882;                                                 
*SOURCE   5 STRAIN: HIDENBOROUGH/ATCC 29579/NCIMB 8303;                          
*SOURCE   6 GENE: RUB, DVU_3184;                                                 
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PT7-7                                      
*KEYWDS    ELECTRON TRANSPORT, [FE-4S], IRON, METAL-BINDING, CYTOPLASM,          
*KEYWDS   2 TRANSPORT                                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    S.G.NUNES, B.F.VOLKMAN, J.J.G.MOURA, I.MOURA, A.L.MACEDO,             
*AUTHOR   2 J.L.MARKLEY, I.C.DUARTE                                              
*REVDAT   1   22-DEC-09 2KKD    0                                                


 33 LEU  HB2    46 LYS  HB2     4.26
 33 LEU  HN     33 LEU  HB2     2.77
 33 LEU  HN     33 LEU  HB3     3.30
  5 VAL  HN      5 VAL  HB      3.05
  5 VAL  HN      5 VAL  QG1     4.54
  5 VAL  HN      5 VAL  QG2     4.57
 33 LEU  HN     33 LEU  HG      2.87
 33 LEU  HN     33 LEU  QD1     5.23
 33 LEU  HN     33 LEU  QD2     5.75
 33 LEU  HB2    46 LYS  QD      5.67
  5 VAL  QG2    50 GLU  HN      6.53
 31 ASP  HN     32 ASP  HN      3.30
  3 LYS  HN      4 TYR  HN      4.35
 73 LTNS ME     39 CYSS SG      2.44
 22 ASN  HD21   37 TRP  HE1     5.50
 30 PHE  HB3    31 ASP  HN      3.39
 21 ASP  HB3    37 TRP  HD1     5.13
 30 PHE  HZ     46 LYS  HA      3.73
 25 LYS  HA     26 PRO  HD2     3.98
 25 LYS  HA     26 PRO  HD3     3.64
 30 PHE  HZ     46 LYS  HB3     3.52
 13 TYR  QD     30 PHE  HB2     7.64
 30 PHE  HZ     46 LYS  QG      5.11
 50 GLU  HN     50 GLU  HB2     4.02
 28 THR  QG2    30 PHE  HN      6.53
 13 TYR  QD     30 PHE  QD      9.02
 50 GLU  HN     50 GLU  HB3     4.57
 33 LEU  HB3    46 LYS  HB2     5.50
 22 ASN  HN     22 ASN  HB3     3.39
 50 GLU  HN     50 GLU  HG2     4.26
 50 GLU  HN     50 GLU  HG3     4.48
 28 THR  QG2    30 PHE  QD      8.65
 33 LEU  HB3    46 LYS  QD      6.72
 48 GLU  HN     49 PHE  HN      2.80
 48 GLU  HN     49 PHE  QD      6.66
  5 VAL  HA     13 TYR  HN      3.30
  4 TYR  HA     50 GLU  HN      5.50
 38 VAL  QG1    46 LYS  HN      6.43
 14 ASP  HA     15 PRO  HD2     3.33
 14 ASP  HA     15 PRO  HD3     3.70
 25 LYS  QG     28 THR  HG1     6.38
 24 VAL  QG1    28 THR  HN      6.53
 34 PRO  HB2    36 ASP  HN      3.11
 13 TYR  HH     18 GLY  HN      5.50
 24 VAL  QG1    28 THR  HB      3.89
 13 TYR  HH     18 GLY  HA1     5.00
 13 TYR  HH     18 GLY  HA2     5.50
 24 VAL  QG1    28 THR  HG1     4.73
  5 VAL  HA      5 VAL  HB      2.96
 33 LEU  HA     33 LEU  HG      3.18
 33 LEU  HA     33 LEU  QD1     5.44
 33 LEU  HA     33 LEU  QD2     3.61
  3 LYS  HA      4 TYR  HN      2.71
 30 PHE  QD     31 ASP  HN      7.62
 30 PHE  QD     31 ASP  HA      7.62
 38 VAL  QG2    46 LYS  HN      5.66
 28 THR  HN     28 THR  HB      2.90
 28 THR  HN     28 THR  HG1     5.04
 22 ASN  HA     22 ASN  HB3     2.87
 22 ASN  HA     22 ASN  HD21    5.50
  3 LYS  QG     14 ASP  HA      6.38
 48 GLU  HA     49 PHE  HN      3.33
 22 ASN  HD21   40 PRO  HB2     5.10
 22 ASN  HD21   40 PRO  HB3     4.14
 28 THR  HB     33 LEU  QD2     5.81
 22 ASN  HD21   40 PRO  HG3     5.13
 46 LYS  HA     48 GLU  HN      3.95
 16 ALA  HA     27 GLY  HN      3.21
 16 ALA  HA     27 GLY  HA2     4.97
 17 GLU  HN     17 GLU  HB2     4.11
 17 GLU  HN     17 GLU  HB3     3.24
 30 PHE  HZ     49 PHE  HB2     4.11
 30 PHE  HZ     49 PHE  HB3     3.52
 17 GLU  HN     17 GLU  QG      4.77
 30 PHE  HZ     49 PHE  QD      7.47
 31 ASP  HB2    32 ASP  HN      4.57
 22 ASN  HD22   40 PRO  HB2     4.97
 22 ASN  HD22   40 PRO  HB3     4.04
  5 VAL  HN     51 ALA  HA      3.70
  5 VAL  HN     51 ALA  QB      6.53
 22 ASN  HD22   40 PRO  HG3     5.19
  4 TYR  HB3    50 GLU  HN      5.50
  9 CYSS SG     39 CYSS SG      4.00
  4 TYR  HN     13 TYR  HN      3.24
 33 LEU  QD1    46 LYS  HB2     5.82
 33 LEU  QD1    46 LYS  HB3     7.03
 33 LEU  QD1    46 LYS  QG      7.90
 32 ASP  HN     33 LEU  HN      2.74
 22 ASN  HB2    22 ASN  HD21    2.99
 22 ASN  HB2    22 ASN  HD22    4.01
 26 PRO  HA     27 GLY  HN      2.65
 13 TYR  QE     33 LEU  QD1     8.66
 33 LEU  QD1    46 LYS  QD      7.90
 13 TYR  QE     33 LEU  QD2     8.29
 15 PRO  HB3    29 SER  HB2     4.45
 20 PRO  HB2    21 ASP  HN      3.18
 31 ASP  HB3    32 ASP  HN      5.50
 48 GLU  HB2    49 PHE  QD      7.62
  3 LYS  HA     15 PRO  HD2     5.31
  3 LYS  HA     15 PRO  HD3     3.86
  7 THR  QG2    49 PHE  HA      5.26
 25 LYS  QD     28 THR  HG1     6.38
 23 GLY  HN     23 GLY  HA2     2.93
 17 GLU  HA     17 GLU  HB3     3.12
 49 PHE  HN     50 GLU  HN      4.17
 21 ASP  HN     22 ASN  HN      2.90
  3 LYS  HD3    14 ASP  HA      4.23
  3 LYS  QB      4 TYR  HN      4.24
 20 PRO  HA     24 VAL  HN      2.99
  4 TYR  QD     50 GLU  HN      7.64
  4 TYR  QD     50 GLU  HA      6.83
 12 GLU  HN     12 GLU  QB      4.33
 12 GLU  HN     12 GLU  HG2     5.07
 12 GLU  HN     12 GLU  HG3     5.31
  4 TYR  HA      5 VAL  HN      2.65
  2 LYS  QD     51 ALA  QB      7.40
 26 PRO  HB2    27 GLY  HN      3.76
  4 TYR  HA      5 VAL  QG1     6.40
  4 TYR  HA      5 VAL  QG2     6.50
  4 TYR  QE     50 GLU  HA      7.63
 29 SER  HN     29 SER  HA      2.83
 42 CYSS CB     73 LTNS ME      3.30
 29 SER  HN     29 SER  HB3     3.11
  6 CYSS CB     73 LTNS ME      3.30
  9 CYSS SG     42 CYSS SG      4.00
 34 PRO  QG     36 ASP  HN      6.38
 27 GLY  HN     28 THR  HN      2.99
 49 PHE  HA     50 GLU  HN      2.40
 26 PRO  HB3    27 GLY  HN      3.58
 18 GLY  HN     26 PRO  HA      3.95
 13 TYR  HH     24 VAL  QG1     4.76
 46 LYS  HN     46 LYS  HB2     3.93
 46 LYS  HN     46 LYS  HB3     3.87
 46 LYS  HN     46 LYS  QG      5.51
 12 GLU  HA     12 GLU  HG2     3.80
 12 GLU  HA     12 GLU  HG3     4.51
 46 LYS  HN     46 LYS  QD      6.88
 16 ALA  HN     17 GLU  HN      2.40
 39 CYSS C      39 CYSS SG      3.10
 38 VAL  HA     39 CYSS HN      3.27
  4 TYR  HB2     5 VAL  HN      2.52
 15 PRO  HB3    16 ALA  HN      4.60
 30 PHE  QD     37 TRP  HE1     7.62
 24 VAL  QG2    34 PRO  HD3     5.35
 25 LYS  QE     28 THR  HG1     6.38
 19 ASP  HN     24 VAL  HN      3.21
  2 LYS  HB2     4 TYR  QD      7.64
 19 ASP  HN     24 VAL  HB      2.80
 19 ASP  HN     24 VAL  QG1     4.30
 19 ASP  HN     24 VAL  QG2     5.57
 21 ASP  HB2    22 ASN  HN      3.80
 32 ASP  HB3    33 LEU  HN      4.33
  4 TYR  HB3     5 VAL  HN      3.11
 19 ASP  HB2    37 TRP  HE1     4.32
 18 GLY  HA1    26 PRO  HA      3.76
 21 ASP  HB2    22 ASN  HD22    5.50
 30 PHE  QE     37 TRP  HZ3     6.38
 30 PHE  QE     37 TRP  HH2     7.62
 24 VAL  HN     24 VAL  HB      2.65
 24 VAL  HN     24 VAL  QG2     3.92
 46 LYS  HA     46 LYS  HB3     3.77
 24 VAL  HB     37 TRP  HD1     5.50
  2 LYS  HB3     4 TYR  QE      7.32
 50 GLU  HN     51 ALA  HN      4.48
 46 LYS  HA     46 LYS  QD      6.88
 29 SER  HN     32 ASP  HB2     4.57
 24 VAL  HB     37 TRP  HE1     5.50
 29 SER  HN     32 ASP  HB3     3.73
 27 GLY  HA2    28 THR  HN      3.42
 38 VAL  HB     39 CYSS HN      3.49
 49 PHE  HB3    50 GLU  HN      3.39
 21 ASP  HB3    22 ASN  HN      3.89
 19 ASP  HB3    37 TRP  HE1     3.55
  2 LYS  QE     51 ALA  QB      7.40
  5 VAL  HN     49 PHE  HA      4.26
  5 VAL  HN     49 PHE  QD      5.76
 21 ASP  HB3    22 ASN  HD22    5.50
 13 TYR  HN     13 TYR  HB3     3.36
  4 TYR  HA     51 ALA  HA      2.71
  7 THR  HA      7 THR  HB      3.30
  4 TYR  HA     51 ALA  QB      6.16
 73 LTNS ME     42 CYSS SG      2.44
 73 LTNS ME      6 CYSS SG      2.44
 34 PRO  HB2    37 TRP  HN      3.27
  6 CYSS C       6 CYSS SG      3.10
  5 VAL  HA      6 CYSS HN      2.99
 16 ALA  QB     17 GLU  HN      4.30
 38 VAL  QG1    39 CYSS HN      6.53
  4 TYR  QD      5 VAL  HN      7.64
 15 PRO  HG2    16 ALA  HN      4.17
 39 CYSS SG     42 CYSS SG      4.00
 34 PRO  HB2    37 TRP  HD1     5.50
 33 LEU  HA     34 PRO  HD3     3.42
  4 TYR  QD      5 VAL  QG1     8.64
 30 PHE  HN     30 PHE  HB2     2.96
 30 PHE  HN     30 PHE  HB3     2.99
 13 TYR  QE     15 PRO  HA      7.63
 25 LYS  QD     26 PRO  HD3     6.38
 13 TYR  QE     15 PRO  HB2     6.58
 13 TYR  QE     15 PRO  HB3     7.63
 24 VAL  QG2    37 TRP  HD1     3.86
 50 GLU  HA     51 ALA  HN      2.74
 24 VAL  QG2    37 TRP  HE1     4.39
 46 LYS  HB2    46 LYS  QE      4.31
 38 VAL  QG2    39 CYSS HN      6.53
 49 PHE  QD     50 GLU  HN      6.35
 46 LYS  HB2    46 LYS  QZ      5.82
 15 PRO  HG3    16 ALA  HN      4.04
  5 VAL  HA     49 PHE  QD      7.53
 47 SER  HN     47 SER  HB2     3.77
 19 ASP  HN     19 ASP  HB2     3.11
 19 ASP  HN     19 ASP  HB3     3.36
 46 LYS  HA     49 PHE  HN      4.29
 17 GLU  HN     18 GLY  HN      2.49
  2 LYS  HG2     4 TYR  QE      7.63
 19 ASP  HB2    24 VAL  HB      3.92
 19 ASP  HB2    24 VAL  QG1     6.53
 11 TYR  HA     12 GLU  HN      2.71
 19 ASP  HB2    24 VAL  QG2     5.32
 46 LYS  HA     49 PHE  QD      6.10
 46 LYS  HB3    46 LYS  QE      6.72
 46 LYS  HB3    46 LYS  QZ      4.99
 15 PRO  HB2    30 PHE  HN      5.04
  5 VAL  HN     52 ALA  HN      3.92
 36 ASP  HN     36 ASP  HB2     3.74
 36 ASP  HN     36 ASP  HB3     3.80
  5 VAL  HN     52 ALA  QB      5.91
 30 PHE  HA     30 PHE  HB2     3.02
  2 LYS  HG3     4 TYR  QD      7.64
 19 ASP  HB3    24 VAL  HB      2.74
 19 ASP  HB3    24 VAL  QG1     5.29
 19 ASP  HB3    24 VAL  QG2     4.36
  5 VAL  QG1     6 CYSS HN      6.53
 45 PRO  HG2    48 GLU  HB2     5.50
  6 CYSS SG      9 CYSS SG      4.00
 45 PRO  HG2    48 GLU  HG2     4.23
 45 PRO  HG2    48 GLU  HG3     3.89
 15 PRO  HB3    30 PHE  HN      5.07
 33 LEU  HB3    34 PRO  HD3     3.49
 26 PRO  HA     28 THR  HN      3.80
 17 GLU  HA     26 PRO  HA      2.87
 38 VAL  HA     45 PRO  HA      3.42
 25 LYS  HN     25 LYS  QD      5.02
  7 THR  QG2    50 GLU  HN      4.36
  7 THR  QG2    50 GLU  HB2     5.44
 30 PHE  HN     33 LEU  QD1     6.53
 45 PRO  HG3    48 GLU  HN      5.19
  7 THR  QG2    50 GLU  HG2     6.19
  5 VAL  QG2     6 CYSS HN      6.53
 45 PRO  HG3    48 GLU  HG2     4.69
 21 ASP  HN     23 GLY  HN      5.50
 14 ASP  HN     14 ASP  HB2     3.33
 14 ASP  HN     14 ASP  HB3     3.40
  4 TYR  QD     51 ALA  HN      7.14
  4 TYR  QD     51 ALA  HA      6.49
  4 TYR  QD     51 ALA  QB      8.14
 18 GLY  HA1    24 VAL  QG1     5.19
 18 GLY  HA1    24 VAL  QG2     4.98
 31 ASP  HN     31 ASP  HB2     4.11
 31 ASP  HN     31 ASP  HB3     3.49
  3 LYS  HN      3 LYS  QB      4.40
  3 LYS  HN      3 LYS  QG      5.17
 38 VAL  HB     45 PRO  HA      2.74
  4 TYR  QE     51 ALA  HN      7.14
  3 LYS  HN      3 LYS  HD2     4.08
  3 LYS  HN      3 LYS  HD3     5.50
 30 PHE  HA     33 LEU  HN      3.80
  4 TYR  QE     51 ALA  HA      7.01
  4 TYR  QE     51 ALA  QB      7.20
 25 LYS  HA     25 LYS  QD      5.38
 51 ALA  HA     52 ALA  HN      2.59
 30 PHE  HA     33 LEU  HG      2.83
 28 THR  QG2    29 SER  HN      4.79
 30 PHE  HA     33 LEU  QD1     3.55
 30 PHE  HA     33 LEU  QD2     5.23
 34 PRO  QG     37 TRP  HN      6.38
 18 GLY  HA2    24 VAL  QG1     4.57
  4 TYR  HB2    30 PHE  QD      6.82
 15 PRO  HG2    30 PHE  HN      5.50
 13 TYR  HH     33 LEU  QD1     6.53
  4 TYR  HB2    30 PHE  QE      7.62
 13 TYR  HH     33 LEU  QD2     5.07
 48 GLU  HN     48 GLU  HB2     3.11
 48 GLU  HN     48 GLU  HB3     3.58
 33 LEU  HB3    37 TRP  HB3     4.69
 48 GLU  HN     48 GLU  HG2     4.48
 14 ASP  HA     14 ASP  HB2     3.24
 48 GLU  HN     48 GLU  HG3     3.70
  5 VAL  HA     12 GLU  HA      2.90
 33 LEU  HB3    37 TRP  HE3     5.16
  5 VAL  HA     12 GLU  QB      6.16
 46 LYS  HN     47 SER  HN      3.42
  4 TYR  HA     49 PHE  QD      7.62
 25 LYS  HN     28 THR  HG1     5.41
 12 GLU  HA     13 TYR  HN      2.68
 23 GLY  HA2    24 VAL  HN      3.45
 17 GLU  HB3    18 GLY  HN      4.02
 50 GLU  HG2    51 ALA  HN      4.70
  9 CYSS CB     73 LTNS ME      3.30
 13 TYR  QD     13 TYR  HH      7.64
 46 LYS  QG     46 LYS  QZ      7.32
  4 TYR  HB3    30 PHE  QD      7.62
  4 TYR  HB3    30 PHE  QE      6.44
 37 TRP  HN     37 TRP  HB2     2.90
 33 LEU  QD1    34 PRO  HD2     6.53
 37 TRP  HN     37 TRP  HB3     2.71
 31 ASP  HA     31 ASP  HB2     3.33
  3 LYS  HA      3 LYS  HD2     5.50
  3 LYS  HA      3 LYS  HD3     4.26
 14 ASP  HN     17 GLU  HB3     4.45
 30 PHE  QE     46 LYS  HA      7.56
 19 ASP  HN     33 LEU  QD2     6.53
 30 PHE  QE     46 LYS  HB2     7.75
 30 PHE  QE     46 LYS  HB3     7.19
 14 ASP  HN     17 GLU  QG      6.38
  2 LYS  QD      4 TYR  QE      8.51
 30 PHE  QE     46 LYS  QG      9.00
 50 GLU  HG3    51 ALA  HN      3.80
 30 PHE  QE     46 LYS  QD      9.00
 13 TYR  QE     13 TYR  HH      5.90
 30 PHE  QE     46 LYS  QE      9.00
 33 LEU  QD2    34 PRO  HD2     4.57
 48 GLU  HA     48 GLU  HB3     2.96
  6 CYSS SG     39 CYSS SG      4.00
 48 GLU  HA     48 GLU  HG3     3.21
  4 TYR  HB2    49 PHE  QD      6.78
 18 GLY  HA1    19 ASP  HN      3.24
  4 TYR  QD     30 PHE  HN      7.64
 28 THR  QG2    32 ASP  HN      4.92
  4 TYR  QD     30 PHE  HB2     6.12
  4 TYR  QD     30 PHE  HB3     7.11
 28 THR  QG2    32 ASP  HB2     3.80
 28 THR  QG2    32 ASP  HB3     4.02
  5 VAL  HN     50 GLU  HN      2.83
 22 ASN  HB2    37 TRP  HD1     4.66
  5 VAL  QG1    12 GLU  HA      6.53
 13 TYR  HH     28 THR  HN      4.57
  4 TYR  HB3    49 PHE  QD      6.44
 18 GLY  HA2    19 ASP  HN      2.87
  4 TYR  HA     52 ALA  HN      2.99
 29 SER  HB2    30 PHE  HN      3.61
 13 TYR  HH     28 THR  HB      2.99
 13 TYR  HH     28 THR  QG2     4.67
 25 LYS  QB     25 LYS  QE      6.45
 30 PHE  QD     49 PHE  QD      9.74
 16 ALA  QB     18 GLY  HN      6.53
  4 TYR  QE     30 PHE  HB2     7.51
 32 ASP  HN     32 ASP  HB2     3.15
  4 TYR  QE     30 PHE  HB3     6.14
 32 ASP  HN     32 ASP  HB3     3.24
  4 TYR  HN      4 TYR  HB2     3.02
  4 TYR  HN      4 TYR  HB3     3.49
 22 ASN  HB3    37 TRP  HD1     5.04
 22 ASN  HB3    37 TRP  HE1     5.50
 30 PHE  HN     31 ASP  HN      3.55
  5 VAL  QG2    12 GLU  HA      6.53
 33 LEU  QD1    37 TRP  HD1     6.53
 33 LEU  QD1    37 TRP  HE3     4.70
 24 VAL  HA     25 LYS  HN      2.65
 46 LYS  HB2    47 SER  HN      4.70
 33 LEU  QD1    37 TRP  HE1     6.53
 33 LEU  QD1    37 TRP  HZ3     5.81
 29 SER  HB3    30 PHE  HN      4.94
 33 LEU  QD1    37 TRP  HZ2     6.53
 33 LEU  QD1    37 TRP  HH2     6.53
 30 PHE  QD     33 LEU  QD1     6.54
 30 PHE  QD     33 LEU  QD2     8.65
 30 PHE  QE     49 PHE  HB2     7.62
 30 PHE  QE     49 PHE  HB3     7.62
 30 PHE  QE     49 PHE  QD      9.59
 73 LTNS ME      9 CYSS SG      2.44
 49 PHE  HN     49 PHE  HB2     3.55
 49 PHE  HN     49 PHE  HB3     3.30
 21 ASP  HN     21 ASP  HB2     3.43
 21 ASP  HN     21 ASP  HB3     3.80
 33 LEU  HN     46 LYS  QE      6.88
 13 TYR  HN     49 PHE  QD      7.62
 39 CYSS CB     73 LTNS ME      3.30
 47 SER  HN     48 GLU  HN      3.18
 20 PRO  HA     23 GLY  HN      3.80
 42 CYSS C      42 CYSS SG      3.10
 33 LEU  QD2    37 TRP  HD1     5.13
 13 TYR  HA     14 ASP  HN      2.87
 33 LEU  QD2    37 TRP  HE3     6.53
  4 TYR  QD     49 PHE  HB3     6.28
  6 CYSS SG     42 CYSS SG      4.00
  4 TYR  QD     49 PHE  QD      9.76
 33 LEU  QD2    37 TRP  HE1     5.88
 19 ASP  HN     20 PRO  QD      5.29
 17 GLU  QG     18 GLY  HN      5.32
 30 PHE  QE     33 LEU  QD1     7.41
 38 VAL  HN     38 VAL  HB      4.11
 38 VAL  HN     38 VAL  QG1     4.45
 38 VAL  HN     38 VAL  QG2     3.68
  4 TYR  HA      4 TYR  HB3     2.74
 38 VAL  HB     43 GLY  HA1     3.70
 36 ASP  HN     37 TRP  HN      3.02
 38 VAL  HB     43 GLY  HA2     5.50
 24 VAL  HB     33 LEU  QD2     6.09
 14 ASP  HB3    17 GLU  HN      3.86
  2 LYS  HA      3 LYS  HN      3.02
 24 VAL  HB     25 LYS  HN      4.35
 25 LYS  QB     28 THR  HG1     6.38
 12 GLU  HG2    13 TYR  HN      5.50
 14 ASP  HB3    17 GLU  QG      5.29
  5 VAL  QG1     7 THR  HA      6.53
 21 ASP  HA     21 ASP  HB3     3.40
  5 VAL  HB     50 GLU  HN      5.50
 38 VAL  QG1    43 GLY  HA1     6.53
 24 VAL  QG1    33 LEU  QD1     7.56
 38 VAL  QG1    43 GLY  HA2     6.53
 24 VAL  QG1    33 LEU  QD2     5.35
 38 VAL  HA     46 LYS  HN      3.67
 24 VAL  QG1    25 LYS  HN      4.85
 13 TYR  HH     15 PRO  HA      3.39
 12 GLU  HG3    13 TYR  HN      4.88
 13 TYR  HH     15 PRO  HB2     5.50
 13 TYR  HH     15 PRO  HB3     4.88
 13 TYR  HH     15 PRO  HG3     5.50
 13 TYR  HB3    30 PHE  QD      5.58
 16 ALA  HN     16 ALA  QB      3.64
 38 VAL  HA     38 VAL  HB      2.62
 38 VAL  HA     38 VAL  QG1     3.71
  5 VAL  QG1    50 GLU  HN      6.22
 15 PRO  HA     18 GLY  HN      4.48
 38 VAL  QG2    43 GLY  HA1     4.95
  9 CYSS C       9 CYSS SG      3.10
 38 VAL  QG2    43 GLY  HA2     5.54
 24 VAL  QG2    33 LEU  QD2     5.70
 30 PHE  HB2    31 ASP  HN      3.95
  2 LYS  HB2     3 LYS  HN      3.89
 24 VAL  QG2    25 LYS  HN      6.43
  4 TYR  QD     52 ALA  HN      7.64
#dmax 6.0 K46 SC + 0.5
#surface residues 2,3,5,7,12,14,17,21,25,31,32,36,41,46,47,50 have 0.5 added to SC
#(if below 5 A)
#QG1/2 swapped for V38 and V5
#removed HE1 37-QD 49 and relaxed 50-49 HN and 4-5
#NH 37 - QG 38 removed...

  2 LYS  
         HA      3 LYS  HN      3.02                
         HB2     3 LYS  HN      3.89#                
         HB2     4 TYR  QD      7.64                
         HB3     4 TYR  QE      7.32                
         HG2     4 TYR  QE      7.63                
         HG3     4 TYR  QD      7.64                
         QD      4 TYR  QE      8.51                
         QD     51 ALA  QB      7.40                
         QE     51 ALA  QB      7.40                
  3 LYS  
         HN      3 LYS  QB      4.40#                
         HN      3 LYS  QG      5.17                
         HN      3 LYS  HD2     4.08#                
         HN      3 LYS  HD3     5.50                
         HN      4 TYR  HN      4.35                
         HA      3 LYS  HD2     5.50                
         HA      3 LYS  HD3     4.26#                
         HA      4 TYR  HN      2.71                
         HA     15 PRO  HD2     5.31                
         HA     15 PRO  HD3     3.86                
         QB      4 TYR  HN      4.24                
         QG     14 ASP  HA      6.38                
         HD3    14 ASP  HA      4.23#                
  4 TYR  
         HN      4 TYR  HB2     3.02                
         HN      4 TYR  HB3     3.49                
         HN     13 TYR  HN      3.24                
         HA      4 TYR  HB3     2.74                
         HA      5 VAL  HN      2.65                
         HA      5 VAL  QG2     6.50                
         HA      5 VAL  QG1     6.40                
         HA     49 PHE  QD      7.62                
         HA     50 GLU  HN      5.50                
         HA     51 ALA  HA      2.71                
         HA     51 ALA  QB      6.16                
         HA     52 ALA  HN      2.99                
         HB2     5 VAL  HN      2.52                
         HB2    30 PHE  QD      6.82                
         HB2    30 PHE  QE      7.62                
         HB2    49 PHE  QD      6.78                
         HB3     5 VAL  HN      3.11                
         HB3    30 PHE  QD      7.62                
         HB3    30 PHE  QE      6.44                
         HB3    49 PHE  QD      6.44                
         HB3    50 GLU  HN      5.50                
         QD      5 VAL  HN      7.64                
         QD      5 VAL  QG1     8.64                
         QD     30 PHE  HN      7.64                
         QD     30 PHE  HB2     6.12                
         QD     30 PHE  HB3     7.11                
         QD     49 PHE  HB3     6.28                
         QD     49 PHE  QD      9.76                
         QD     50 GLU  HN      7.64                
         QD     50 GLU  HA      6.83                
         QD     51 ALA  HN      7.14                
         QD     51 ALA  HA      6.49                
         QD     51 ALA  QB      8.14                
         QD     52 ALA  HN      7.64                
         QE     30 PHE  HB2     7.51                
         QE     30 PHE  HB3     6.14                
         QE     50 GLU  HA      7.63                
         QE     51 ALA  HN      7.14                
         QE     51 ALA  HA      7.01                
         QE     51 ALA  QB      7.20                
  5 VAL  
         HN      5 VAL  HB      3.05                
         HN      5 VAL  QG2     4.57                
         HN      5 VAL  QG1     4.54                
         HN     49 PHE  HA      4.26                
         HN     49 PHE  QD      5.76                
         HN     50 GLU  HN      2.83                
         HN     51 ALA  HA      3.70                
         HN     51 ALA  QB      6.53                
         HN     52 ALA  HN      3.92                
         HN     52 ALA  QB      5.91                
         HA      5 VAL  HB      2.96                
         HA      6 CYSS HN      2.99                
         HA     12 GLU  HA      2.90                
         HA     12 GLU  QB      6.16                
         HA     13 TYR  HN      3.30                
         HA     49 PHE  QD      7.53                
         HB     50 GLU  HN      5.50                
         QG2     6 CYSS HN      6.53                
         QG2    12 GLU  HA      6.53                
         QG2    50 GLU  HN      6.53                
         QG1     6 CYSS HN      6.53                
         QG1     7 THR  HA      6.53                
         QG1    12 GLU  HA      6.53                
         QG1    50 GLU  HN      6.22                
  7 THR  
         HA      7 THR  HB      3.30#                
         QG2    49 PHE  HA      5.26                
         QG2    50 GLU  HN      4.36                
         QG2    50 GLU  HB2     5.44                
         QG2    50 GLU  HG2     6.19                
 11 TYR  
         HA     12 GLU  HN      2.71                
 12 GLU  
         HN     12 GLU  QB      4.33#                
         HN     12 GLU  HG2     5.07                
         HN     12 GLU  HG3     5.31                
         HA     12 GLU  HG2     3.80#                
         HA     12 GLU  HG3     4.51#                
         HA     13 TYR  HN      2.68                
         HG2    13 TYR  HN      5.50                
         HG3    13 TYR  HN      4.88#                
 13 TYR  
         HN     13 TYR  HB3     3.36                
         HN     49 PHE  QD      7.62                
         HA     14 ASP  HN      2.87                
         HB3    30 PHE  QD      5.58                
         QD     13 TYR  HH      7.64                
         QD     30 PHE  HB2     7.64                
         QD     30 PHE  QD      9.02                
         QE     13 TYR  HH      5.90                
         QE     15 PRO  HA      7.63                
         QE     15 PRO  HB2     6.58                
         QE     15 PRO  HB3     7.63                
         QE     33 LEU  QD1     8.66                
         QE     33 LEU  QD2     8.29                
         HH     15 PRO  HA      3.39                
         HH     15 PRO  HB2     5.50                
         HH     15 PRO  HB3     4.88                
         HH     15 PRO  HG3     5.50                
         HH     18 GLY  HN      5.50                
         HH     18 GLY  HA1     5.00                
         HH     18 GLY  HA2     5.50                
         HH     24 VAL  QG1     4.76                
         HH     28 THR  HN      4.57                
         HH     28 THR  HB      2.99                
         HH     28 THR  QG2     4.67                
         HH     33 LEU  QD1     6.53                
         HH     33 LEU  QD2     5.07                
 14 ASP  
         HN     14 ASP  HB2     3.33#                
         HN     14 ASP  HB3     3.40#                
         HN     17 GLU  HB3     4.45#                
         HN     17 GLU  QG      6.38                
         HA     14 ASP  HB2     3.24#                
         HA     15 PRO  HD2     3.33                
         HA     15 PRO  HD3     3.70                
         HB3    17 GLU  HN      3.86#                
         HB3    17 GLU  QG      5.29                
 15 PRO  
         HA     18 GLY  HN      4.48                
         HB2    30 PHE  HN      5.04                
         HB3    16 ALA  HN      4.60                
         HB3    29 SER  HB2     4.45                
         HB3    30 PHE  HN      5.07                
         HG2    16 ALA  HN      4.17                
         HG2    30 PHE  HN      5.50                
         HG3    16 ALA  HN      4.04                
 16 ALA  
         HN     16 ALA  QB      3.64                
         HN     17 GLU  HN      2.40                
         HA     27 GLY  HN      3.21                
         HA     27 GLY  HA2     4.97                
         QB     17 GLU  HN      4.30               
         QB     18 GLY  HN      6.53                
 17 GLU  
         HN     17 GLU  HB2     4.11#                
         HN     17 GLU  HB3     3.24#                
         HN     17 GLU  QG      4.77#                
         HN     18 GLY  HN      2.49                
         HA     17 GLU  HB3     3.12#                
         HA     26 PRO  HA      2.87                
         HB3    18 GLY  HN      4.02#                
         QG     18 GLY  HN      5.32                
 18 GLY  
         HN     26 PRO  HA      3.95                
         HA1    19 ASP  HN      3.24                
         HA1    24 VAL  QG1     5.19                
         HA1    24 VAL  QG2     4.98                
         HA1    26 PRO  HA      3.76                
         HA2    19 ASP  HN      2.87                
         HA2    24 VAL  QG1     4.57                
 19 ASP  
         HN     19 ASP  HB2     3.11#                
         HN     19 ASP  HB3     3.36#                
         HN     20 PRO  QD      5.29                
         HN     24 VAL  HN      3.21                
         HN     24 VAL  HB      2.80                
         HN     24 VAL  QG1     4.30                
         HN     24 VAL  QG2     5.57                
         HN     33 LEU  QD2     6.53                
         HB2    24 VAL  HB      3.92                
         HB2    24 VAL  QG1     6.53                
         HB2    24 VAL  QG2     5.32                
         HB2    37 TRP  HE1     4.32                
         HB3    24 VAL  HB      2.74                
         HB3    24 VAL  QG1     5.29                
         HB3    24 VAL  QG2     4.36                
         HB3    37 TRP  HE1     3.55                
 20 PRO  
         HA     23 GLY  HN      3.80                
         HA     24 VAL  HN      2.99                
         HB2    21 ASP  HN      3.18#                
 21 ASP  
         HN     21 ASP  HB2     3.43#                
         HN     21 ASP  HB3     3.80#                
         HN     22 ASN  HN      2.90                
         HN     23 GLY  HN      5.50                
         HA     21 ASP  HB3     3.40#                
         HB2    22 ASN  HN      3.80                
         HB2    22 ASN  HD22    5.50                
         HB3    22 ASN  HN      3.89#                
         HB3    22 ASN  HD22    5.50                
         HB3    37 TRP  HD1     5.13                
 22 ASN  
         HN     22 ASN  HB3     3.39                
         HA     22 ASN  HB3     2.87                
         HA     22 ASN  HD21    5.50                
         HB2    22 ASN  HD21    2.99                
         HB2    22 ASN  HD22    4.01                
         HB2    37 TRP  HD1     4.66                
         HB3    37 TRP  HD1     5.04                
         HB3    37 TRP  HE1     5.50                
         HD21   37 TRP  HE1     5.50                
         HD21   40 PRO  HB2     5.10                
         HD21   40 PRO  HB3     4.14                
         HD21   40 PRO  HG3     5.13                
         HD22   40 PRO  HB2     4.97                
         HD22   40 PRO  HB3     4.04                
         HD22   40 PRO  HG3     5.19                
 23 GLY  
         HN     23 GLY  HA2     2.93                
         HA2    24 VAL  HN      3.45                
 24 VAL  
         HN     24 VAL  HB      2.65                
         HN     24 VAL  QG2     3.92                
         HA     25 LYS  HN      2.65                
         HB     25 LYS  HN      4.35                
         HB     33 LEU  QD2     6.09                
         HB     37 TRP  HD1     5.50                
         HB     37 TRP  HE1     5.50                
         QG1    25 LYS  HN      4.85                
         QG1    28 THR  HN      6.53                
         QG1    28 THR  HB      3.89                
         QG1    28 THR  HG1     4.73                
         QG1    33 LEU  QD1     7.56                
         QG1    33 LEU  QD2     5.35                
         QG2    25 LYS  HN      6.43                
         QG2    33 LEU  QD2     5.70                
         QG2    34 PRO  HD3     5.35                
         QG2    37 TRP  HD1     3.86                
         QG2    37 TRP  HE1     4.39                
 25 LYS  
         HN     25 LYS  QD      5.02#                
         HN     28 THR  HG1     5.41                
         HA     25 LYS  QD      5.38                
         HA     26 PRO  HD2     3.98                
         HA     26 PRO  HD3     3.64                
         QB     25 LYS  QE      6.45                
         QB     28 THR  HG1     6.38                
         QG     28 THR  HG1     6.38                
         QD     26 PRO  HD3     6.38                
         QD     28 THR  HG1     6.38                
         QE     28 THR  HG1     6.38                
 26 PRO  
         HA     27 GLY  HN      2.65                
         HA     28 THR  HN      3.80                
         HB2    27 GLY  HN      3.76                
         HB3    27 GLY  HN      3.58                
 27 GLY  
         HN     28 THR  HN      2.99                
         HA2    28 THR  HN      3.42                
 28 THR  
         HN     28 THR  HB      2.90                
         HN     28 THR  HG1     5.04                
         HB     33 LEU  QD2     5.81                
         QG2    29 SER  HN      4.79                
         QG2    30 PHE  HN      6.53                
         QG2    30 PHE  QD      8.65                
         QG2    32 ASP  HN      4.92                
         QG2    32 ASP  HB2     3.80                
         QG2    32 ASP  HB3     4.02                
 29 SER  
         HN     29 SER  HA      2.83                
         HN     29 SER  HB3     3.11                
         HN     32 ASP  HB2     4.57                
         HN     32 ASP  HB3     3.73                
         HB2    30 PHE  HN      3.61                
         HB3    30 PHE  HN      4.94                
 30 PHE  
         HN     30 PHE  HB2     2.96                
         HN     30 PHE  HB3     2.99                
         HN     31 ASP  HN      3.55                
         HN     33 LEU  QD1     6.53                
         HA     30 PHE  HB2     3.02                
         HA     33 LEU  HN      3.80                
         HA     33 LEU  HG      2.83                
         HA     33 LEU  QD1     3.55                
         HA     33 LEU  QD2     5.23                
         HB2    31 ASP  HN      3.95                
         HB3    31 ASP  HN      3.39                
         QD     31 ASP  HN      7.62                
         QD     31 ASP  HA      7.62                
         QD     33 LEU  QD1     6.54                
         QD     33 LEU  QD2     8.65                
         QD     37 TRP  HE1     7.62                
         QD     49 PHE  QD      9.74                
         QE     33 LEU  QD1     7.41                
         QE     37 TRP  HZ3     6.38                
         QE     37 TRP  HH2     7.62                
         QE     46 LYS  HA      7.56                
         QE     46 LYS  HB2     7.75                
         QE     46 LYS  HB3     7.19                
         QE     46 LYS  QG      9.00                
         QE     46 LYS  QD      9.00                
         QE     46 LYS  QE      9.00                
         QE     49 PHE  HB2     7.62                
         QE     49 PHE  HB3     7.62                
         QE     49 PHE  QD      9.59                
         HZ     46 LYS  HA      3.73                
         HZ     46 LYS  HB3     3.52                
         HZ     46 LYS  QG      5.11                
         HZ     49 PHE  HB2     4.11                
         HZ     49 PHE  HB3     3.52                
         HZ     49 PHE  QD      7.47                
 31 ASP  
         HN     31 ASP  HB2     4.11#                
         HN     31 ASP  HB3     3.49#                
         HN     32 ASP  HN      3.30                
         HA     31 ASP  HB2     3.33#                
         HB2    32 ASP  HN      4.57#                
         HB3    32 ASP  HN      5.50                
 32 ASP  
         HN     32 ASP  HB2     3.15#                
         HN     32 ASP  HB3     3.24#                
         HN     33 LEU  HN      2.74                
         HB3    33 LEU  HN      4.33#                
 33 LEU  
         HN     33 LEU  HB2     2.77                
         HN     33 LEU  HB3     3.30                
         HN     33 LEU  HG      2.87                
         HN     33 LEU  QD1     5.23                
         HN     33 LEU  QD2     5.75                
         HN     46 LYS  QE      6.88                
         HA     33 LEU  HG      3.18                
         HA     33 LEU  QD1     5.44                
         HA     33 LEU  QD2     3.61                
         HA     34 PRO  HD3     3.42                
         HB2    46 LYS  HB2     4.26                
         HB2    46 LYS  QD      5.67                
         HB3    34 PRO  HD3     3.49                
         HB3    37 TRP  HB3     4.69                
         HB3    37 TRP  HE3     5.16                
         HB3    46 LYS  HB2     5.50                
         HB3    46 LYS  QD      6.72                
         QD1    34 PRO  HD2     6.53                
         QD1    37 TRP  HD1     6.53                
         QD1    37 TRP  HE3     4.70                
         QD1    37 TRP  HE1     6.53                
         QD1    37 TRP  HZ3     5.81                
         QD1    37 TRP  HZ2     6.53                
         QD1    37 TRP  HH2     6.53                
         QD1    46 LYS  HB2     5.82                
         QD1    46 LYS  HB3     7.03                
         QD1    46 LYS  QG      7.90                
         QD1    46 LYS  QD      7.90                
         QD2    34 PRO  HD2     4.57                
         QD2    37 TRP  HD1     5.13                
         QD2    37 TRP  HE3     6.53                
         QD2    37 TRP  HE1     5.88                
 34 PRO  
         HB2    36 ASP  HN      3.11                
         HB2    37 TRP  HN      3.27                
         HB2    37 TRP  HD1     5.50                
         QG     36 ASP  HN      6.38                
         QG     37 TRP  HN      6.38                
 36 ASP  
         HN     36 ASP  HB2     3.74#                
         HN     36 ASP  HB3     3.80#                
         HN     37 TRP  HN      3.02                
 37 TRP  
         HN     37 TRP  HB2     2.90                
         HN     37 TRP  HB3     2.71                
#         HN     38 VAL  QG2     6.53                
         HB2    37 TRP  HD1     3.42                
         HE3    38 VAL  HA      4.01                
         HE3    46 LYS  HN      5.04                
         HE3    46 LYS  HA      4.07                
#         HE1    49 PHE  QD      7.62                
         HZ3    46 LYS  HA      5.50                
         HZ3    46 LYS  HB3     6.00                
         HZ3    46 LYS  QG      6.88                
         HZ3    49 PHE  QD      7.62                
         HZ2    40 PRO  HG2     5.50                
 38 VAL  
         HN     38 VAL  HB      4.11                
         HN     38 VAL  QG2     3.68                
         HN     38 VAL  QG1     4.45                
         HA     38 VAL  HB      2.62                
         HA     38 VAL  QG1     3.71                
         HA     39 CYSS HN      3.27                
         HA     45 PRO  HA      3.42                
         HA     46 LYS  HN      3.67                
         HB     39 CYSS HN      3.49                
         HB     43 GLY  HA1     3.70                
         HB     43 GLY  HA2     5.50                
         HB     45 PRO  HA      2.74                
         QG2    39 CYSS HN      6.53                
         QG2    43 GLY  HA1     4.95                
         QG2    43 GLY  HA2     5.54                
         QG2    46 LYS  HN      5.66                
         QG1    39 CYSS HN      6.53                
         QG1    43 GLY  HA1     6.53                
         QG1    43 GLY  HA2     6.53                
         QG1    46 LYS  HN      6.43                
 45 PRO  
         HG2    48 GLU  HB2     5.50                
         HG2    48 GLU  HG2     4.23                
         HG2    48 GLU  HG3     3.89                
         HG3    48 GLU  HN      5.19                
         HG3    48 GLU  HG2     4.69                
 46 LYS  
         HN     46 LYS  HB2     3.93#                
         HN     46 LYS  HB3     3.87#                
         HN     46 LYS  QG      5.51                
         HN     46 LYS  QD      6.88                
         HN     47 SER  HN      3.42                
         HA     46 LYS  HB3     3.77#                
         HA     46 LYS  QD      6.88                
         HA     48 GLU  HN      3.95                
         HA     49 PHE  HN      4.29                
         HA     49 PHE  QD      6.10                
         HB2    46 LYS  QE      4.31#                
         HB2    46 LYS  QZ      5.82                
         HB2    47 SER  HN      4.70#                
         HB3    46 LYS  QE      6.72                
         HB3    46 LYS  QZ      4.99                
         QG     46 LYS  QZ      7.32                
 47 SER  
         HN     47 SER  HB2     3.77#                
         HN     48 GLU  HN      3.18                
 48 GLU  
         HN     48 GLU  HB2     3.11                
         HN     48 GLU  HB3     3.58                
         HN     48 GLU  HG2     4.48                
         HN     48 GLU  HG3     3.70                
         HN     49 PHE  HN      2.80                
         HN     49 PHE  QD      6.66                
         HA     48 GLU  HB3     2.96                
         HA     48 GLU  HG3     3.21                
         HA     49 PHE  HN      3.33                
         HB2    49 PHE  QD      7.62                
 49 PHE  
         HN     49 PHE  HB2     3.55                
         HN     49 PHE  HB3     3.30                
         HN     50 GLU  HN      4.17                
         HA     50 GLU  HN      2.40                
         HB3    50 GLU  HN      3.39                
         QD     50 GLU  HN      6.35                
 50 GLU  
         HN     50 GLU  HB2     4.02#                
         HN     50 GLU  HB3     4.57#                
         HN     50 GLU  HG2     4.26#                
         HN     50 GLU  HG3     4.48#                
         HN     51 ALA  HN      4.48                
         HA     51 ALA  HN      2.74                
         HG2    51 ALA  HN      4.70#                
         HG3    51 ALA  HN      3.80#                
 51 ALA  
         HA     52 ALA  HN      2.59                
 73 LTNS ME     9  CYSS SG      2.44 20.00
 73 LTNS ME     39 CYSS SG      2.44 20.00
 73 LTNS ME     6  CYSS SG      2.44 20.00
 73 LTNS ME     42 CYSS SG      2.44 20.00
  6 CYSS SG      9 CYSS SG      4.00 20.00
  6 CYSS SG     39 CYSS SG      4.00 20.00
  6 CYSS SG     42 CYSS SG      4.00 20.00
  9 CYSS SG     39 CYSS SG      4.00 20.00
  9 CYSS SG     42 CYSS SG      4.00 20.00
 39 CYSS SG     42 CYSS SG      4.00 20.00
  6 CYSS CB     73 LTNS ME      3.30 20.00
  9 CYSS CB     73 LTNS ME      3.30 20.00
 39 CYSS CB     73 LTNS ME      3.30 20.00
 42 CYSS CB     73 LTNS ME      3.30 20.00
  6 CYSS  C      6 CYSS SG      3.10 20.00
  9 CYSS  C      9 CYSS SG      3.10 20.00
 39 CYSS  C     39 CYSS SG      3.10 20.00
 42 CYSS  C     42 CYSS SG      3.10 20.00
  2 LYS  HA      0.17 1   0.10  1.00
  3 LYS  HN      0.22 1   0.10  1.00
  3 LYS  HA      0.32 1   0.10  1.00
  4 TYR  HN      0.57 1   0.10  1.00
  4 TYR  HA      0.77 1   0.10  1.00
 12 GLU  HA      0.46 1   0.10  1.00
 13 TYR  HN      0.80 1   0.10  1.00
 13 TYR  HA      0.04 1   0.10  1.00
 14 ASP  HN     -0.11 1   0.10  1.00
 14 ASP  HA      0.08 1   0.10  1.00
 15 PRO  HA      0.14 1   0.10  1.00
 16 ALA  HN      0.01 1   0.10  1.00
 16 ALA  HA     -0.00 1   0.10  1.00
 17 GLU  HN     -0.08 1   0.10  1.00
 17 GLU  HA     -0.14 1   0.10  1.00
 18 GLY  HN     -0.05 1   0.10  1.00
 18 GLY  HA1     0.07 1   0.10  1.00
 18 GLY  HA2    -0.02 1   0.10  1.00
 19 ASP  HN     -0.03 1   0.10  1.00
 19 ASP  HA     -0.28 1   0.10  1.00
 21 ASP  HN     -0.23 1   0.10  1.00
 21 ASP  HA     -0.16 1   0.10  1.00
 22 ASN  HN     -0.08 1   0.10  1.00
 22 ASN  HA      0.02 1   0.10  1.00
 23 GLY  HN      0.00 1   0.10  1.00
 23 GLY  HA1     0.06 1   0.10  1.00
 23 GLY  HA2     0.02 1   0.10  1.00
 24 VAL  HN      0.03 1   0.10  1.00
 24 VAL  HA      0.11 1   0.10  1.00
 25 LYS  HN      0.08 1   0.10  1.00
 25 LYS  HA     -0.00 1   0.10  1.00
 26 PRO  HA     -0.01 1   0.10  1.00
 27 GLY  HN      0.04 1   0.10  1.00
 27 GLY  HA1     0.04 1   0.10  1.00
 27 GLY  HA2     0.05 1   0.10  1.00
 28 THR  HN      0.09 1   0.10  1.00
 28 THR  HA      0.13 1   0.10  1.00
 29 SER  HN      0.19 1   0.10  1.00
 29 SER  HA      0.19 1   0.10  1.00
 30 PHE  HN      0.33 1   0.10  1.00
 30 PHE  HA      0.52 1   0.10  1.00
 31 ASP  HN      0.32 1   0.10  1.00
 31 ASP  HA      0.30 1   0.10  1.00
 32 ASP  HN      0.25 1   0.10  1.00
 32 ASP  HA      0.19 1   0.10  1.00
 33 LEU  HN      0.38 1   0.10  1.00
 33 LEU  HA      0.35 1   0.10  1.00
 34 PRO  HA      0.25 1   0.10  1.00
 35 ALA  HN      0.03 1   0.10  1.00
 35 ALA  HA      0.28 1   0.10  1.00
 36 ASP  HN      0.28 1   0.10  1.00
 36 ASP  HA      0.30 1   0.10  1.00
 37 TRP  HN      0.54 1   0.10  1.00
 37 TRP  HA      0.70 1   0.10  1.00
 46 LYS  HN      0.67 1   0.10  1.00
 46 LYS  HA      1.33 1   0.10  1.00
 47 SER  HN      0.01 1   0.10  1.00
 47 SER  HA     -0.01 1   0.10  1.00
 48 GLU  HN     -0.59 1   0.10  1.00
 49 PHE  HN      0.35 1   0.10  1.00
 49 PHE  HA      1.46 1   0.10  1.00
 50 GLU  HN      1.05 1   0.10  1.00
 51 ALA  HN      0.36 1   0.10  1.00
 51 ALA  HA      0.53 1   0.10  1.00
 52 ALA  HN      0.41 1   0.10  1.00
 52 ALA  HA      0.34 1   0.10  1.00
 73 LTNS PCN

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1  -1.612 -10.680   7.007
    2    HA   MET   1           HA       MET   1  -1.145 -11.143   4.763
    3    HB2  MET   1           1HB      MET   1  -2.507 -12.835   6.266
    4    HB3  MET   1           2HB      MET   1  -3.880 -12.413   5.262
    5    HG2  MET   1           1HG      MET   1  -3.168 -13.875   3.679
    6    HG3  MET   1           2HG      MET   1  -1.701 -12.939   3.473
    7    HE1  MET   1           3HE      MET   1  -1.181 -15.126   2.622
    8    HE2  MET   1           1HE      MET   1   0.234 -15.747   3.505
    9    HE3  MET   1           2HE      MET   1  -1.295 -16.659   3.521
   10    H    LYS   2           H        LYS   2  -2.165  -8.552   4.491
   11    HA   LYS   2           HA       LYS   2  -4.027  -8.915   2.249
   12    HB2  LYS   2           1HB      LYS   2  -4.040  -6.837   4.439
   13    HB3  LYS   2           2HB      LYS   2  -4.797  -6.536   2.888
   14    HG2  LYS   2           1HG      LYS   2  -6.609  -7.749   3.502
   15    HG3  LYS   2           2HG      LYS   2  -5.608  -9.164   3.755
   16    HD2  LYS   2           1HD      LYS   2  -5.189  -8.590   6.060
   17    HD3  LYS   2           2HD      LYS   2  -5.792  -6.959   5.845
   18    HE2  LYS   2           1HE      LYS   2  -8.079  -7.739   5.591
   19    HE3  LYS   2           2HE      LYS   2  -7.565  -9.408   5.446
   20    HZ1  LYS   2           2HZ      LYS   2  -6.653  -9.144   7.781
   21    HZ3  LYS   2           1HZ      LYS   2  -8.278  -9.109   7.678
   22    H    LYS   3           H        LYS   3  -0.925  -8.689   2.763
   23    HA   LYS   3           HA       LYS   3   0.135  -6.372   1.932
   24    HB2  LYS   3           1HB      LYS   3   0.886  -9.204   1.170
   25    HB3  LYS   3           2HB      LYS   3   1.877  -7.816   0.766
   26    HG2  LYS   3           1HG      LYS   3   1.876  -7.190   3.241
   27    HG3  LYS   3           2HG      LYS   3   1.056  -8.703   3.570
   28    HD2  LYS   3           1HD      LYS   3   2.967  -9.941   2.479
   29    HD3  LYS   3           2HD      LYS   3   3.794  -8.414   2.244
   30    HE2  LYS   3           1HE      LYS   3   4.171  -8.099   4.558
   31    HE3  LYS   3           2HE      LYS   3   2.845  -9.145   5.024
   32    HZ1  LYS   3           2HZ      LYS   3   5.514  -9.939   4.055
   33    HZ3  LYS   3           1HZ      LYS   3   4.269 -10.979   3.908
   34    H    TYR   4           H        TYR   4  -0.613  -4.974   0.426
   35    HA   TYR   4           HA       TYR   4  -1.784  -6.064  -2.006
   36    HB2  TYR   4           1HB      TYR   4  -1.387  -3.122  -1.346
   37    HB3  TYR   4           2HB      TYR   4  -2.776  -3.881  -2.099
   38    HD1  TYR   4           1HD      TYR   4  -1.143  -3.078   1.098
   39    HD2  TYR   4           2HD      TYR   4  -4.552  -4.884  -0.751
   40    HE1  TYR   4           1HE      TYR   4  -2.366  -3.067   3.326
   41    HE2  TYR   4           2HE      TYR   4  -5.764  -4.867   1.484
   42    HH   TYR   4           HH       TYR   4  -5.740  -3.824   3.533
   43    H    VAL   5           H        VAL   5  -1.273  -3.972  -3.800
   44    HA   VAL   5           HA       VAL   5   1.562  -3.536  -3.923
   45    HB   VAL   5           HB       VAL   5   0.162  -5.487  -5.744
   46   HG11  VAL   5          1HG1      VAL   5   2.869  -4.210  -6.251
   47   HG12  VAL   5          2HG1      VAL   5   2.030  -5.404  -7.270
   48   HG13  VAL   5          3HG1      VAL   5   1.367  -3.762  -7.095
   49   HG21  VAL   5          3HG2      VAL   5   1.156  -6.572  -3.876
   50   HG22  VAL   5          1HG2      VAL   5   2.271  -6.815  -5.242
   51   HG23  VAL   5          2HG2      VAL   5   2.638  -5.594  -4.001
   52    H    CYS   6           H        CYS   6   2.121  -2.037  -5.685
   53    HA   CYS   6           HA       CYS   6  -0.096  -0.275  -6.175
   54    HB2  CYS   6           1HB      CYS   6   1.855   0.824  -5.488
   55    HB3  CYS   6           2HB      CYS   6   2.878  -0.095  -6.574
   56    H    THR   7           H        THR   7  -0.849   0.309  -8.309
   57    HA   THR   7           HA       THR   7  -0.172  -1.704 -10.344
   58    HB   THR   7           HB       THR   7  -2.442  -1.163 -11.225
   59    HG1  THR   7           1HG      THR   7  -2.189   1.122 -10.350
   60   HG21  THR   7          3HG2      THR   7  -2.221  -2.784  -9.220
   61   HG22  THR   7          1HG2      THR   7  -2.655  -1.402  -8.186
   62   HG23  THR   7          2HG2      THR   7  -3.807  -1.998  -9.405
   63    H    VAL   8           H        VAL   8   1.728   0.300  -9.957
   64    HA   VAL   8           HA       VAL   8   1.526   1.589 -12.543
   65    HB   VAL   8           HB       VAL   8   2.012   3.157 -10.003
   66   HG11  VAL   8          1HG1      VAL   8   2.664   3.666 -12.769
   67   HG12  VAL   8          2HG1      VAL   8   1.477   4.860 -12.192
   68   HG13  VAL   8          3HG1      VAL   8   3.017   4.646 -11.326
   69   HG21  VAL   8          3HG2      VAL   8  -0.307   2.742 -10.028
   70   HG22  VAL   8          1HG2      VAL   8  -0.129   4.349 -10.774
   71   HG23  VAL   8          2HG2      VAL   8  -0.410   2.919 -11.796
   72    H    CYS   9           H        CYS   9   3.381   1.025  -9.493
   73    HA   CYS   9           HA       CYS   9   5.751   0.743 -11.195
   74    HB2  CYS   9           1HB      CYS   9   7.125   1.707  -9.571
   75    HB3  CYS   9           2HB      CYS   9   5.741   2.774  -9.700
   76    H    GLY  10           H        GLY  10   4.136  -0.145  -8.061
   77    HA2  GLY  10           1HA      GLY  10   3.705  -2.444  -7.583
   78    HA3  GLY  10           2HA      GLY  10   5.188  -2.882  -8.408
   79    H    TYR  11           H        TYR  11   3.814  -1.328  -5.485
   80    HA   TYR  11           HA       TYR  11   6.374  -1.872  -4.142
   81    HB2  TYR  11           1HB      TYR  11   6.194   0.540  -4.368
   82    HB3  TYR  11           2HB      TYR  11   4.451   0.505  -4.190
   83    HD1  TYR  11           2HD      TYR  11   7.422  -0.563  -2.143
   84    HD2  TYR  11           1HD      TYR  11   3.651   1.456  -2.241
   85    HE1  TYR  11           2HE      TYR  11   7.656   0.009   0.323
   86    HE2  TYR  11           1HE      TYR  11   3.898   2.021   0.225
   87    HH   TYR  11           HH       TYR  11   5.011   1.456   2.096
   88    H    GLU  12           H        GLU  12   5.520  -3.922  -3.416
   89    HA   GLU  12           HA       GLU  12   3.092  -4.321  -2.295
   90    HB2  GLU  12           1HB      GLU  12   4.098  -6.262  -1.168
   91    HB3  GLU  12           2HB      GLU  12   4.734  -6.108  -2.793
   92    HG2  GLU  12           1HG      GLU  12   6.695  -4.773  -1.735
   93    HG3  GLU  12           2HG      GLU  12   6.106  -5.338  -0.184
   94    HE2  GLU  12           HE       GLU  12   8.468  -7.346  -0.558
   95    H    TYR  13           H        TYR  13   2.054  -3.343  -0.618
   96    HA   TYR  13           HA       TYR  13   3.636  -1.908   1.339
   97    HB2  TYR  13           1HB      TYR  13   1.619  -0.878   0.336
   98    HB3  TYR  13           2HB      TYR  13   0.670  -2.319   0.641
   99    HD1  TYR  13           1HD      TYR  13   2.132   0.704   2.150
  100    HD2  TYR  13           2HD      TYR  13  -0.259  -2.774   2.851
  101    HE1  TYR  13           1HE      TYR  13   1.335   1.687   4.355
  102    HE2  TYR  13           2HE      TYR  13  -1.048  -1.779   5.053
  103    HH   TYR  13           HH       TYR  13  -0.553  -0.214   6.598
  104    H    ASP  14           H        ASP  14   3.410  -2.199   3.647
  105    HA   ASP  14           HA       ASP  14   2.539  -4.908   4.286
  106    HB2  ASP  14           1HB      ASP  14   5.044  -3.612   4.704
  107    HB3  ASP  14           2HB      ASP  14   4.294  -3.696   6.285
  108    HD2  ASP  14           HD       ASP  14   5.386  -6.022   3.706
  109    HA   PRO  15           HA       PRO  15  -0.202  -2.393   6.752
  110    HB2  PRO  15           1HB      PRO  15  -2.086  -4.317   7.219
  111    HB3  PRO  15           2HB      PRO  15  -2.107  -3.278   5.808
  112    HG2  PRO  15           1HG      PRO  15  -1.335  -6.125   6.001
  113    HG3  PRO  15           2HG      PRO  15  -1.769  -5.200   4.578
  114    HD2  PRO  15           1HD      PRO  15   0.874  -5.969   5.386
  115    HD3  PRO  15           2HD      PRO  15   0.449  -4.947   4.027
  116    H    ALA  16           H        ALA  16   1.111  -5.494   7.581
  117    HA   ALA  16           HA       ALA  16   0.488  -5.196  10.354
  118    HB1  ALA  16           1HB      ALA  16   0.647  -7.420   9.638
  119    HB2  ALA  16           2HB      ALA  16   2.091  -7.103   8.647
  120    HB3  ALA  16           3HB      ALA  16   2.224  -7.158  10.421
  121    H    GLU  17           H        GLU  17   2.639  -3.630   8.269
  122    HA   GLU  17           HA       GLU  17   4.556  -3.267  10.434
  123    HB2  GLU  17           1HB      GLU  17   5.212  -4.109   8.009
  124    HB3  GLU  17           2HB      GLU  17   5.078  -2.415   7.580
  125    HG2  GLU  17           1HG      GLU  17   7.333  -2.539   8.196
  126    HG3  GLU  17           2HG      GLU  17   6.607  -2.014   9.702
  127    HE2  GLU  17           HE       GLU  17   9.028  -4.160   9.269
  128    H    GLY  18           H        GLY  18   2.936  -1.480   7.708
  129    HA2  GLY  18           1HA      GLY  18   1.605   0.461   8.404
  130    HA3  GLY  18           2HA      GLY  18   2.940   0.917   9.445
  131    H    ASP  19           H        ASP  19   3.751   2.793   8.565
  132    HA   ASP  19           HA       ASP  19   5.220   2.602   6.209
  133    HB2  ASP  19           1HB      ASP  19   2.641   2.930   5.524
  134    HB3  ASP  19           2HB      ASP  19   2.982   4.607   5.901
  135    HD2  ASP  19           HD       ASP  19   3.799   5.359   3.058
  136    HA   PRO  20           HA       PRO  20   6.554   5.941   8.846
  137    HB2  PRO  20           1HB      PRO  20   9.182   5.928   8.096
  138    HB3  PRO  20           2HB      PRO  20   8.547   4.916   9.379
  139    HG2  PRO  20           1HG      PRO  20   9.325   4.154   6.630
  140    HG3  PRO  20           2HG      PRO  20   9.099   3.127   8.032
  141    HD2  PRO  20           1HD      PRO  20   7.286   3.451   5.833
  142    HD3  PRO  20           2HD      PRO  20   7.012   2.515   7.289
  143    H    ASP  21           H        ASP  21   7.238   5.669   5.433
  144    HA   ASP  21           HA       ASP  21   8.167   8.022   4.778
  145    HB2  ASP  21           1HB      ASP  21   7.051   6.077   3.350
  146    HB3  ASP  21           2HB      ASP  21   5.640   7.117   3.369
  147    HD2  ASP  21           HD       ASP  21   8.927   8.287   1.401
  148    H    ASN  22           H        ASN  22   4.683   7.316   5.547
  149    HA   ASN  22           HA       ASN  22   4.183  10.170   5.567
  150    HB2  ASN  22           1HB      ASN  22   2.428   7.689   5.449
  151    HB3  ASN  22           2HB      ASN  22   1.729   9.209   5.971
  152   HD21  ASN  22          1HD2      ASN  22   3.826   7.861   3.432
  153   HD22  ASN  22          2HD2      ASN  22   3.191   8.779   2.108
  154    H    GLY  23           H        GLY  23   3.889   7.132   7.524
  155    HA2  GLY  23           1HA      GLY  23   4.630   7.402   9.867
  156    HA3  GLY  23           2HA      GLY  23   3.575   8.799   9.950
  157    H    VAL  24           H        VAL  24   3.674   5.233   9.542
  158    HA   VAL  24           HA       VAL  24   0.967   5.158  10.655
  159    HB   VAL  24           HB       VAL  24   1.996   3.590   8.283
  160   HG11  VAL  24          1HG1      VAL  24  -0.708   3.388   9.650
  161   HG12  VAL  24          2HG1      VAL  24  -0.147   2.458   8.240
  162   HG13  VAL  24          3HG1      VAL  24   0.616   2.212   9.829
  163   HG21  VAL  24          3HG2      VAL  24   1.244   5.976   7.896
  164   HG22  VAL  24          1HG2      VAL  24   0.359   4.734   6.977
  165   HG23  VAL  24          2HG2      VAL  24  -0.379   5.468   8.421
  166    H    LYS  25           H        LYS  25   0.539   3.294  11.974
  167    HA   LYS  25           HA       LYS  25   3.003   2.151  13.017
  168    HB2  LYS  25           1HB      LYS  25   1.815   1.717  14.995
  169    HB3  LYS  25           2HB      LYS  25   1.257   3.293  14.472
  170    HG2  LYS  25           1HG      LYS  25  -0.312   1.012  13.371
  171    HG3  LYS  25           2HG      LYS  25  -0.398   1.172  15.114
  172    HD2  LYS  25           1HD      LYS  25  -0.641   3.811  13.947
  173    HD3  LYS  25           2HD      LYS  25  -1.755   2.739  13.121
  174    HE2  LYS  25           1HE      LYS  25  -2.634   1.977  15.364
  175    HE3  LYS  25           2HE      LYS  25  -1.567   3.126  16.148
  176    HZ1  LYS  25           2HZ      LYS  25  -3.519   4.001  14.099
  177    HZ3  LYS  25           1HZ      LYS  25  -2.747   4.928  15.193
  178    HA   PRO  26           HA       PRO  26   2.229  -1.776  11.404
  179    HB2  PRO  26           1HB      PRO  26   3.087  -3.478  13.362
  180    HB3  PRO  26           2HB      PRO  26   4.177  -2.642  12.275
  181    HG2  PRO  26           1HG      PRO  26   3.602  -2.076  15.119
  182    HG3  PRO  26           2HG      PRO  26   4.963  -1.550  14.148
  183    HD2  PRO  26           1HD      PRO  26   2.692   0.025  14.918
  184    HD3  PRO  26           2HD      PRO  26   3.995   0.515  13.853
  185    H    GLY  27           H        GLY  27   0.744  -3.413  11.064
  186    HA2  GLY  27           1HA      GLY  27  -0.987  -4.785  11.730
  187    HA3  GLY  27           2HA      GLY  27  -1.092  -3.946  13.265
  188    H    THR  28           H        THR  28  -0.798  -1.766  10.594
  189    HA   THR  28           HA       THR  28  -3.612  -1.060  10.894
  190    HB   THR  28           HB       THR  28  -1.297   0.367   9.485
  191    HG1  THR  28           1HG      THR  28  -1.064   1.334  11.561
  192   HG21  THR  28          3HG2      THR  28  -3.242   1.524   8.787
  193   HG22  THR  28          1HG2      THR  28  -4.134   1.106  10.270
  194   HG23  THR  28          2HG2      THR  28  -2.864   2.352  10.317
  195    H    SER  29           H        SER  29  -4.820  -0.359   8.893
  196    HA   SER  29           HA       SER  29  -4.212  -2.303   6.806
  197    HB2  SER  29           1HB      SER  29  -6.480  -2.723   6.539
  198    HB3  SER  29           2HB      SER  29  -6.433  -2.370   8.254
  199    HG   SER  29           HG       SER  29  -7.799  -1.068   6.290
  200    H    PHE  30           H        PHE  30  -4.158  -1.593   4.631
  201    HA   PHE  30           HA       PHE  30  -3.326   0.904   4.058
  202    HB2  PHE  30           1HB      PHE  30  -3.479  -1.230   2.605
  203    HB3  PHE  30           2HB      PHE  30  -5.175  -0.868   2.351
  204    HD1  PHE  30           1HD      PHE  30  -5.819   1.173   1.070
  205    HD2  PHE  30           2HD      PHE  30  -1.783  -0.102   1.371
  206    HE1  PHE  30           1HE      PHE  30  -5.219   2.606  -0.902
  207    HE2  PHE  30           2HE      PHE  30  -1.183   1.331  -0.600
  208    HZ   PHE  30           HZ       PHE  30  -2.908   2.668  -1.713
  209    H    ASP  31           H        ASP  31  -6.751  -0.285   3.772
  210    HA   ASP  31           HA       ASP  31  -7.880   1.952   2.811
  211    HB2  ASP  31           1HB      ASP  31  -8.727  -0.393   4.321
  212    HB3  ASP  31           2HB      ASP  31  -9.644   1.002   4.854
  213    HD2  ASP  31           HD       ASP  31 -11.227  -0.419   3.935
  214    H    ASP  32           H        ASP  32  -6.651   1.257   6.086
  215    HA   ASP  32           HA       ASP  32  -7.996   3.319   7.397
  216    HB2  ASP  32           1HB      ASP  32  -6.456   1.218   8.186
  217    HB3  ASP  32           2HB      ASP  32  -5.253   2.487   8.303
  218    HD2  ASP  32           HD       ASP  32  -6.536   1.162  10.774
  219    H    LEU  33           H        LEU  33  -4.980   3.041   5.498
  220    HA   LEU  33           HA       LEU  33  -3.568   5.223   6.300
  221    HB2  LEU  33           1HB      LEU  33  -3.952   4.168   3.495
  222    HB3  LEU  33           2HB      LEU  33  -2.685   5.272   3.992
  223    HG   LEU  33           HG       LEU  33  -3.042   2.499   5.156
  224   HD11  LEU  33          1HD1      LEU  33  -1.155   1.822   3.717
  225   HD12  LEU  33          2HD1      LEU  33  -2.601   2.278   2.784
  226   HD13  LEU  33          3HD1      LEU  33  -1.228   3.404   2.904
  227   HD21  LEU  33          3HD2      LEU  33  -1.031   4.689   5.513
  228   HD22  LEU  33          1HD2      LEU  33  -1.778   3.611   6.717
  229   HD23  LEU  33          2HD2      LEU  33  -0.507   2.992   5.635
  230    HA   PRO  34           HA       PRO  34  -5.844   8.711   5.178
  231    HB2  PRO  34           1HB      PRO  34  -3.899  10.557   4.651
  232    HB3  PRO  34           2HB      PRO  34  -4.393  10.123   6.275
  233    HG2  PRO  34           1HG      PRO  34  -1.941   9.351   4.816
  234    HG3  PRO  34           2HG      PRO  34  -2.258   9.294   6.539
  235    HD2  PRO  34           1HD      PRO  34  -2.249   7.075   4.721
  236    HD3  PRO  34           2HD      PRO  34  -2.679   7.037   6.419
  237    H    ALA  35           H        ALA  35  -6.396  10.389   3.521
  238    HA   ALA  35           HA       ALA  35  -6.408   9.037   1.012
  239    HB1  ALA  35           1HB      ALA  35  -7.753  10.955   0.300
  240    HB2  ALA  35           2HB      ALA  35  -8.300  10.393   1.898
  241    HB3  ALA  35           3HB      ALA  35  -7.290  11.852   1.767
  242    H    ASP  36           H        ASP  36  -4.497  11.592   2.582
  243    HA   ASP  36           HA       ASP  36  -3.384  12.521   0.161
  244    HB2  ASP  36           1HB      ASP  36  -3.388  13.281   2.899
  245    HB3  ASP  36           2HB      ASP  36  -1.708  12.945   2.530
  246    HD2  ASP  36           HD       ASP  36  -1.798  13.802  -0.091
  247    H    TRP  37           H        TRP  37  -3.173   9.565   1.622
  248    HA   TRP  37           HA       TRP  37  -0.305   9.228   1.547
  249    HB2  TRP  37           1HB      TRP  37  -1.688   8.161   3.281
  250    HB3  TRP  37           2HB      TRP  37  -2.528   7.241   2.048
  251    HD1  TRP  37           HD       TRP  37   0.482   7.031   4.249
  252    HE1  TRP  37           1HE      TRP  37   2.013   4.950   3.709
  253    HE3  TRP  37           3HE      TRP  37  -1.724   5.896  -0.189
  254    HZ2  TRP  37           2HZ      TRP  37   2.127   3.105   1.535
  255    HZ3  TRP  37           3HZ      TRP  37  -0.843   3.939  -1.458
  256    HH2  TRP  37           HH       TRP  37   1.015   2.564  -0.663
  257    H    VAL  38           H        VAL  38   0.837   8.184  -0.108
  258    HA   VAL  38           HA       VAL  38  -0.649   6.893  -2.221
  259    HB   VAL  38           HB       VAL  38   0.490   8.311  -3.950
  260   HG11  VAL  38          1HG1      VAL  38  -1.949   8.540  -2.931
  261   HG12  VAL  38          2HG1      VAL  38  -1.320  10.112  -2.384
  262   HG13  VAL  38          3HG1      VAL  38  -1.325   9.710  -4.118
  263   HG21  VAL  38          3HG2      VAL  38   1.746   9.443  -1.673
  264   HG22  VAL  38          1HG2      VAL  38   1.939   9.906  -3.381
  265   HG23  VAL  38          2HG2      VAL  38   0.708  10.708  -2.375
  266    H    CYS  39           H        CYS  39   0.728   5.553  -3.559
  267    HA   CYS  39           HA       CYS  39   2.621   4.170  -2.268
  268    HB2  CYS  39           1HB      CYS  39   1.794   3.303  -4.281
  269    HB3  CYS  39           2HB      CYS  39   2.252   4.723  -5.200
  270    HA   PRO  40           HA       PRO  40   5.700   7.372  -2.049
  271    HB2  PRO  40           1HB      PRO  40   7.065   6.352   0.087
  272    HB3  PRO  40           2HB      PRO  40   5.703   7.442   0.252
  273    HG2  PRO  40           1HG      PRO  40   5.809   4.525   0.718
  274    HG3  PRO  40           2HG      PRO  40   4.615   5.682   1.271
  275    HD2  PRO  40           1HD      PRO  40   4.329   3.823  -0.894
  276    HD3  PRO  40           2HD      PRO  40   3.182   5.058  -0.415
  277    H    VAL  41           H        VAL  41   5.924   5.860  -4.190
  278    HA   VAL  41           HA       VAL  41   8.767   5.278  -4.114
  279    HB   VAL  41           HB       VAL  41   6.717   3.266  -5.063
  280   HG11  VAL  41          1HG1      VAL  41   8.485   2.737  -6.398
  281   HG12  VAL  41          2HG1      VAL  41   9.678   3.489  -5.312
  282   HG13  VAL  41          3HG1      VAL  41   9.018   1.881  -4.931
  283   HG21  VAL  41          3HG2      VAL  41   7.827   1.891  -3.156
  284   HG22  VAL  41          1HG2      VAL  41   8.315   3.479  -2.516
  285   HG23  VAL  41          2HG2      VAL  41   6.590   3.102  -2.740
  286    H    CYS  42           H        CYS  42   5.680   5.457  -5.983
  287    HA   CYS  42           HA       CYS  42   7.272   6.552  -8.187
  288    HB2  CYS  42           1HB      CYS  42   5.771   5.653  -9.750
  289    HB3  CYS  42           2HB      CYS  42   6.141   4.357  -8.630
  290    H    GLY  43           H        GLY  43   4.091   6.603  -6.435
  291    HA2  GLY  43           1HA      GLY  43   3.678   9.011  -5.658
  292    HA3  GLY  43           2HA      GLY  43   3.671   9.364  -7.374
  293    H    ALA  44           H        ALA  44   2.439   6.835  -8.247
  294    HA   ALA  44           HA       ALA  44  -0.075   7.333  -8.602
  295    HB1  ALA  44           1HB      ALA  44   0.688   4.623  -7.469
  296    HB2  ALA  44           2HB      ALA  44  -0.501   4.995  -8.741
  297    HB3  ALA  44           3HB      ALA  44   1.239   5.176  -9.069
  298    HA   PRO  45           HA       PRO  45  -2.073   7.893  -4.799
  299    HB2  PRO  45           1HB      PRO  45  -4.678   7.815  -5.619
  300    HB3  PRO  45           2HB      PRO  45  -3.671   9.242  -5.764
  301    HG2  PRO  45           1HG      PRO  45  -4.530   7.357  -7.873
  302    HG3  PRO  45           2HG      PRO  45  -3.899   8.983  -8.044
  303    HD2  PRO  45           1HD      PRO  45  -2.481   6.535  -8.514
  304    HD3  PRO  45           2HD      PRO  45  -1.820   8.156  -8.572
  305    H    LYS  46           H        LYS  46  -3.335   6.926  -3.098
  306    HA   LYS  46           HA       LYS  46  -2.870   4.191  -2.980
  307    HB2  LYS  46           1HB      LYS  46  -3.632   4.361  -0.853
  308    HB3  LYS  46           2HB      LYS  46  -3.430   6.073  -1.168
  309    HG2  LYS  46           1HG      LYS  46  -5.918   5.934  -2.075
  310    HG3  LYS  46           2HG      LYS  46  -5.988   4.445  -1.154
  311    HD2  LYS  46           1HD      LYS  46  -4.770   6.344   0.581
  312    HD3  LYS  46           2HD      LYS  46  -6.081   7.206  -0.199
  313    HE2  LYS  46           1HE      LYS  46  -7.463   6.224   1.319
  314    HE3  LYS  46           2HE      LYS  46  -7.256   4.742   0.406
  315    HZ1  LYS  46           2HZ      LYS  46  -5.679   3.966   1.906
  316    HZ3  LYS  46           1HZ      LYS  46  -6.643   4.795   2.924
  317    H    SER  47           H        SER  47  -5.318   6.013  -4.636
  318    HA   SER  47           HA       SER  47  -7.339   4.076  -4.519
  319    HB2  SER  47           1HB      SER  47  -6.933   6.678  -5.678
  320    HB3  SER  47           2HB      SER  47  -7.505   5.620  -6.952
  321    HG   SER  47           HG       SER  47  -9.324   6.497  -5.910
  322    H    GLU  48           H        GLU  48  -4.280   4.145  -6.056
  323    HA   GLU  48           HA       GLU  48  -5.209   2.342  -8.143
  324    HB2  GLU  48           1HB      GLU  48  -2.519   3.758  -7.894
  325    HB3  GLU  48           2HB      GLU  48  -3.056   2.804  -9.262
  326    HG2  GLU  48           1HG      GLU  48  -5.098   4.457  -9.340
  327    HG3  GLU  48           2HG      GLU  48  -4.120   5.486  -8.313
  328    HE2  GLU  48           HE       GLU  48  -4.444   6.427 -11.146
  329    H    PHE  49           H        PHE  49  -5.083   1.467  -5.387
  330    HA   PHE  49           HA       PHE  49  -2.853  -0.430  -5.605
  331    HB2  PHE  49           1HB      PHE  49  -3.647   1.513  -3.556
  332    HB3  PHE  49           2HB      PHE  49  -3.807  -0.099  -2.888
  333    HD1  PHE  49           1HD      PHE  49  -1.685  -1.673  -3.510
  334    HD2  PHE  49           2HD      PHE  49  -1.631   2.560  -3.212
  335    HE1  PHE  49           1HE      PHE  49   0.785  -1.735  -3.069
  336    HE2  PHE  49           2HE      PHE  49   0.839   2.498  -2.771
  337    HZ   PHE  49           HZ       PHE  49   2.017   0.351  -2.704
  338    H    GLU  50           H        GLU  50  -3.317  -2.604  -5.211
  339    HA   GLU  50           HA       GLU  50  -5.985  -3.193  -4.258
  340    HB2  GLU  50           1HB      GLU  50  -6.515  -4.669  -6.086
  341    HB3  GLU  50           2HB      GLU  50  -6.025  -3.142  -6.791
  342    HG2  GLU  50           1HG      GLU  50  -3.802  -4.002  -7.310
  343    HG3  GLU  50           2HG      GLU  50  -4.086  -5.461  -6.382
  344    HE2  GLU  50           HE       GLU  50  -5.231  -7.002  -7.278
  345    H    ALA  51           H        ALA  51  -6.206  -5.557  -3.630
  346    HA   ALA  51           HA       ALA  51  -3.679  -6.424  -2.483
  347    HB1  ALA  51           1HB      ALA  51  -4.970  -7.513  -0.893
  348    HB2  ALA  51           2HB      ALA  51  -6.053  -6.170  -1.329
  349    HB3  ALA  51           3HB      ALA  51  -6.320  -7.788  -2.021
  350    H    ALA  52           H        ALA  52  -2.432  -7.601  -3.874
  351    HA   ALA  52           HA       ALA  52  -3.707  -9.291  -5.833
  352    HB1  ALA  52           1HB      ALA  52  -1.544  -7.804  -6.024
  353    HB2  ALA  52           2HB      ALA  52  -0.746  -9.204  -5.268
  354    HB3  ALA  52           3HB      ALA  52  -1.595  -9.395  -6.820
  Start of MODEL    2
    1    H1   MET   1           H        MET   1  -5.878 -11.879   2.712
    2    HA   MET   1           HA       MET   1  -3.710 -13.535   3.447
    3    HB2  MET   1           1HB      MET   1  -4.317 -13.114   0.603
    4    HB3  MET   1           2HB      MET   1  -2.761 -12.406   0.989
    5    HG2  MET   1           1HG      MET   1  -3.190 -15.105   2.175
    6    HG3  MET   1           2HG      MET   1  -3.181 -15.088   0.422
    7    HE1  MET   1           3HE      MET   1  -0.017 -16.466   0.802
    8    HE2  MET   1           1HE      MET   1  -0.073 -16.165   2.556
    9    HE3  MET   1           2HE      MET   1  -1.537 -16.702   1.697
   10    H    LYS   2           H        LYS   2  -4.773 -10.463   1.857
   11    HA   LYS   2           HA       LYS   2  -4.438  -8.362   2.548
   12    HB2  LYS   2           1HB      LYS   2  -3.743  -9.714   4.855
   13    HB3  LYS   2           2HB      LYS   2  -2.289  -8.803   4.504
   14    HG2  LYS   2           1HG      LYS   2  -3.532  -7.247   5.749
   15    HG3  LYS   2           2HG      LYS   2  -3.922  -6.775   4.107
   16    HD2  LYS   2           1HD      LYS   2  -5.826  -8.762   4.679
   17    HD3  LYS   2           2HD      LYS   2  -5.675  -7.901   6.197
   18    HE2  LYS   2           1HE      LYS   2  -5.785  -5.761   4.519
   19    HE3  LYS   2           2HE      LYS   2  -6.675  -6.911   3.542
   20    HZ1  LYS   2           2HZ      LYS   2  -8.308  -7.128   5.188
   21    HZ3  LYS   2           1HZ      LYS   2  -7.961  -5.540   5.285
   22    H    LYS   3           H        LYS   3  -2.055  -6.964   3.044
   23    HA   LYS   3           HA       LYS   3  -0.274  -6.169   2.012
   24    HB2  LYS   3           1HB      LYS   3   0.197  -9.068   1.254
   25    HB3  LYS   3           2HB      LYS   3   1.364  -7.779   1.040
   26    HG2  LYS   3           1HG      LYS   3   0.103  -8.253   3.761
   27    HG3  LYS   3           2HG      LYS   3   1.447  -9.245   3.231
   28    HD2  LYS   3           1HD      LYS   3   1.545  -6.196   3.210
   29    HD3  LYS   3           2HD      LYS   3   2.056  -7.147   4.590
   30    HE2  LYS   3           1HE      LYS   3   4.076  -7.500   3.623
   31    HE3  LYS   3           2HE      LYS   3   3.306  -8.292   2.263
   32    HZ1  LYS   3           2HZ      LYS   3   3.541  -5.340   2.469
   33    HZ3  LYS   3           1HZ      LYS   3   3.081  -6.188   1.157
   34    H    TYR   4           H        TYR   4  -0.575  -4.785   0.359
   35    HA   TYR   4           HA       TYR   4  -1.673  -5.915  -2.127
   36    HB2  TYR   4           1HB      TYR   4  -1.710  -2.965  -1.507
   37    HB3  TYR   4           2HB      TYR   4  -2.983  -3.944  -2.207
   38    HD1  TYR   4           1HD      TYR   4  -1.303  -3.123   1.018
   39    HD2  TYR   4           2HD      TYR   4  -4.784  -4.724  -0.885
   40    HE1  TYR   4           1HE      TYR   4  -2.521  -3.147   3.250
   41    HE2  TYR   4           2HE      TYR   4  -5.990  -4.744   1.354
   42    HH   TYR   4           HH       TYR   4  -5.925  -3.803   3.438
   43    H    VAL   5           H        VAL   5  -1.192  -3.920  -3.914
   44    HA   VAL   5           HA       VAL   5   1.628  -3.229  -3.680
   45    HB   VAL   5           HB       VAL   5   0.395  -4.987  -5.791
   46   HG11  VAL   5          1HG1      VAL   5   2.531  -2.966  -6.096
   47   HG12  VAL   5          2HG1      VAL   5   2.942  -4.592  -6.693
   48   HG13  VAL   5          3HG1      VAL   5   1.505  -3.751  -7.321
   49   HG21  VAL   5          3HG2      VAL   5   3.098  -5.382  -4.549
   50   HG22  VAL   5          1HG2      VAL   5   1.642  -5.774  -3.602
   51   HG23  VAL   5          2HG2      VAL   5   1.935  -6.583  -5.160
   52    H    CYS   6           H        CYS   6   2.219  -1.395  -4.954
   53    HA   CYS   6           HA       CYS   6   0.421   0.589  -5.133
   54    HB2  CYS   6           1HB      CYS   6   2.555   1.332  -5.386
   55    HB3  CYS   6           2HB      CYS   6   3.014   0.032  -6.468
   56    H    THR   7           H        THR   7   1.297  -1.841  -7.673
   57    HA   THR   7           HA       THR   7   0.162  -2.600  -9.432
   58    HB   THR   7           HB       THR   7  -2.224  -0.965  -8.436
   59    HG1  THR   7           1HG      THR   7  -1.309  -3.676  -7.793
   60   HG21  THR   7          3HG2      THR   7  -3.270  -3.304  -9.176
   61   HG22  THR   7          1HG2      THR   7  -2.940  -2.061 -10.407
   62   HG23  THR   7          2HG2      THR   7  -1.804  -3.412 -10.180
   63    H    VAL   8           H        VAL   8   1.862  -0.294  -9.592
   64    HA   VAL   8           HA       VAL   8   0.843   0.724 -12.090
   65    HB   VAL   8           HB       VAL   8   1.720   2.766 -10.083
   66   HG11  VAL   8          1HG1      VAL   8  -0.337   3.728 -11.736
   67   HG12  VAL   8          2HG1      VAL   8   1.406   4.062 -11.874
   68   HG13  VAL   8          3HG1      VAL   8   0.682   2.719 -12.791
   69   HG21  VAL   8          3HG2      VAL   8  -0.104   1.478  -8.995
   70   HG22  VAL   8          1HG2      VAL   8  -0.567   3.156  -9.366
   71   HG23  VAL   8          2HG2      VAL   8  -1.150   1.825 -10.393
   72    H    CYS   9           H        CYS   9   3.370   0.812  -9.507
   73    HA   CYS   9           HA       CYS   9   5.338   0.808 -11.678
   74    HB2  CYS   9           1HB      CYS   9   6.779   2.195 -10.497
   75    HB3  CYS   9           2HB      CYS   9   5.205   2.941 -10.311
   76    H    GLY  10           H        GLY  10   4.605  -0.050  -8.225
   77    HA2  GLY  10           1HA      GLY  10   4.823  -2.556  -7.918
   78    HA3  GLY  10           2HA      GLY  10   6.471  -2.327  -8.469
   79    H    TYR  11           H        TYR  11   4.171  -1.839  -5.824
   80    HA   TYR  11           HA       TYR  11   6.379  -1.535  -3.996
   81    HB2  TYR  11           1HB      TYR  11   5.923   0.809  -4.674
   82    HB3  TYR  11           2HB      TYR  11   4.193   0.550  -4.575
   83    HD1  TYR  11           2HD      TYR  11   7.193   0.251  -2.327
   84    HD2  TYR  11           1HD      TYR  11   3.110   1.460  -2.742
   85    HE1  TYR  11           2HE      TYR  11   7.196   1.108   0.067
   86    HE2  TYR  11           1HE      TYR  11   3.127   2.313  -0.347
   87    HH   TYR  11           HH       TYR  11   4.866   1.477   1.849
   88    H    GLU  12           H        GLU  12   5.857  -3.234  -2.684
   89    HA   GLU  12           HA       GLU  12   3.075  -3.688  -2.111
   90    HB2  GLU  12           1HB      GLU  12   3.841  -5.773  -1.079
   91    HB3  GLU  12           2HB      GLU  12   4.581  -5.593  -2.657
   92    HG2  GLU  12           1HG      GLU  12   6.620  -4.581  -1.490
   93    HG3  GLU  12           2HG      GLU  12   5.883  -5.006   0.041
   94    HE2  GLU  12           HE       GLU  12   7.503  -7.977  -0.183
   95    H    TYR  13           H        TYR  13   2.058  -2.874  -0.330
   96    HA   TYR  13           HA       TYR  13   3.736  -1.661   1.725
   97    HB2  TYR  13           1HB      TYR  13   1.962  -0.254   0.828
   98    HB3  TYR  13           2HB      TYR  13   0.832  -1.592   0.760
   99    HD1  TYR  13           1HD      TYR  13   2.713   0.523   3.211
  100    HD2  TYR  13           2HD      TYR  13  -0.753  -1.870   2.462
  101    HE1  TYR  13           1HE      TYR  13   1.733   1.229   5.449
  102    HE2  TYR  13           2HE      TYR  13  -1.721  -1.156   4.702
  103    HH   TYR  13           HH       TYR  13   0.010   0.081   7.100
  104    H    ASP  14           H        ASP  14   3.674  -2.248   3.905
  105    HA   ASP  14           HA       ASP  14   2.277  -4.759   4.376
  106    HB2  ASP  14           1HB      ASP  14   4.937  -4.219   4.694
  107    HB3  ASP  14           2HB      ASP  14   4.365  -3.760   6.285
  108    HD2  ASP  14           HD       ASP  14   3.084  -7.221   6.550
  109    HA   PRO  15           HA       PRO  15  -0.031  -2.067   7.074
  110    HB2  PRO  15           1HB      PRO  15  -2.138  -3.752   7.507
  111    HB3  PRO  15           2HB      PRO  15  -2.057  -2.649   6.148
  112    HG2  PRO  15           1HG      PRO  15  -1.660  -5.578   6.184
  113    HG3  PRO  15           2HG      PRO  15  -2.003  -4.534   4.819
  114    HD2  PRO  15           1HD      PRO  15   0.535  -5.679   5.510
  115    HD3  PRO  15           2HD      PRO  15   0.215  -4.543   4.214
  116    H    ALA  16           H        ALA  16   0.944  -5.325   7.710
  117    HA   ALA  16           HA       ALA  16   0.373  -5.173  10.493
  118    HB1  ALA  16           1HB      ALA  16   0.412  -7.337   9.551
  119    HB2  ALA  16           2HB      ALA  16   1.936  -7.032   8.684
  120    HB3  ALA  16           3HB      ALA  16   1.944  -7.237  10.452
  121    H    GLU  17           H        GLU  17   2.577  -3.534   8.550
  122    HA   GLU  17           HA       GLU  17   4.430  -3.341  10.796
  123    HB2  GLU  17           1HB      GLU  17   5.350  -4.404   8.664
  124    HB3  GLU  17           2HB      GLU  17   5.114  -2.862   7.865
  125    HG2  GLU  17           1HG      GLU  17   7.060  -2.079   8.721
  126    HG3  GLU  17           2HG      GLU  17   6.488  -2.360  10.354
  127    HE2  GLU  17           HE       GLU  17   9.334  -3.973   8.723
  128    H    GLY  18           H        GLY  18   3.221  -1.559   7.860
  129    HA2  GLY  18           1HA      GLY  18   2.007   0.513   8.313
  130    HA3  GLY  18           2HA      GLY  18   3.231   0.901   9.505
  131    H    ASP  19           H        ASP  19   4.003   2.814   8.540
  132    HA   ASP  19           HA       ASP  19   5.899   2.410   6.513
  133    HB2  ASP  19           1HB      ASP  19   3.497   2.666   5.366
  134    HB3  ASP  19           2HB      ASP  19   3.741   4.369   5.700
  135    HD2  ASP  19           HD       ASP  19   5.367   1.701   4.230
  136    HA   PRO  20           HA       PRO  20   7.010   5.981   8.867
  137    HB2  PRO  20           1HB      PRO  20   9.559   6.286   7.929
  138    HB3  PRO  20           2HB      PRO  20   9.141   5.190   9.232
  139    HG2  PRO  20           1HG      PRO  20   9.796   4.561   6.418
  140    HG3  PRO  20           2HG      PRO  20   9.796   3.496   7.810
  141    HD2  PRO  20           1HD      PRO  20   7.799   3.635   5.755
  142    HD3  PRO  20           2HD      PRO  20   7.744   2.654   7.206
  143    H    ASP  21           H        ASP  21   7.494   5.843   5.409
  144    HA   ASP  21           HA       ASP  21   8.054   8.356   4.815
  145    HB2  ASP  21           1HB      ASP  21   7.101   6.192   3.421
  146    HB3  ASP  21           2HB      ASP  21   5.716   7.259   3.299
  147    HD2  ASP  21           HD       ASP  21   8.714   7.208   1.095
  148    H    ASN  22           H        ASN  22   4.742   7.021   5.518
  149    HA   ASN  22           HA       ASN  22   3.831   9.771   5.810
  150    HB2  ASN  22           1HB      ASN  22   2.456   7.178   5.033
  151    HB3  ASN  22           2HB      ASN  22   1.498   8.452   5.761
  152   HD21  ASN  22          1HD2      ASN  22   3.859   7.810   3.195
  153   HD22  ASN  22          2HD2      ASN  22   3.253   8.948   2.038
  154    H    GLY  23           H        GLY  23   5.383   8.249   7.838
  155    HA2  GLY  23           1HA      GLY  23   5.246   7.381   9.944
  156    HA3  GLY  23           2HA      GLY  23   4.316   8.847  10.186
  157    H    VAL  24           H        VAL  24   4.119   5.340   9.475
  158    HA   VAL  24           HA       VAL  24   1.334   5.437  10.408
  159    HB   VAL  24           HB       VAL  24   2.602   4.038   8.093
  160   HG11  VAL  24          1HG1      VAL  24   0.826   2.372   8.010
  161   HG12  VAL  24          2HG1      VAL  24   1.739   2.216   9.530
  162   HG13  VAL  24          3HG1      VAL  24   0.137   2.994   9.529
  163   HG21  VAL  24          3HG2      VAL  24  -0.204   4.669   7.845
  164   HG22  VAL  24          1HG2      VAL  24   0.688   6.083   8.457
  165   HG23  VAL  24          2HG2      VAL  24   1.184   5.309   6.933
  166    H    LYS  25           H        LYS  25   0.630   3.427  11.538
  167    HA   LYS  25           HA       LYS  25   2.904   2.329  13.020
  168    HB2  LYS  25           1HB      LYS  25   0.060   2.955  13.708
  169    HB3  LYS  25           2HB      LYS  25   0.838   1.624  14.540
  170    HG2  LYS  25           1HG      LYS  25   2.115   3.029  15.796
  171    HG3  LYS  25           2HG      LYS  25   2.633   3.937  14.389
  172    HD2  LYS  25           1HD      LYS  25   1.428   5.577  15.540
  173    HD3  LYS  25           2HD      LYS  25   0.187   4.957  14.469
  174    HE2  LYS  25           1HE      LYS  25  -0.143   3.231  16.558
  175    HE3  LYS  25           2HE      LYS  25   0.487   4.611  17.436
  176    HZ1  LYS  25           2HZ      LYS  25  -2.037   4.374  15.995
  177    HZ3  LYS  25           1HZ      LYS  25  -1.314   5.831  15.914
  178    HA   PRO  26           HA       PRO  26   2.131  -1.621  11.464
  179    HB2  PRO  26           1HB      PRO  26   2.717  -3.272  13.561
  180    HB3  PRO  26           2HB      PRO  26   3.944  -2.524  12.558
  181    HG2  PRO  26           1HG      PRO  26   3.115  -1.820  15.306
  182    HG3  PRO  26           2HG      PRO  26   4.587  -1.387  14.459
  183    HD2  PRO  26           1HD      PRO  26   2.321   0.306  14.937
  184    HD3  PRO  26           2HD      PRO  26   3.742   0.700  13.991
  185    H    GLY  27           H        GLY  27   0.692  -3.353  11.145
  186    HA2  GLY  27           1HA      GLY  27  -1.179  -4.573  11.632
  187    HA3  GLY  27           2HA      GLY  27  -1.386  -3.691  13.133
  188    H    THR  28           H        THR  28  -0.861  -1.187  11.113
  189    HA   THR  28           HA       THR  28  -3.633  -0.543  10.931
  190    HB   THR  28           HB       THR  28  -1.107   0.797   9.826
  191    HG1  THR  28           1HG      THR  28  -1.088   1.669  11.910
  192   HG21  THR  28          3HG2      THR  28  -2.662   2.868  10.265
  193   HG22  THR  28          1HG2      THR  28  -2.930   1.937   8.772
  194   HG23  THR  28          2HG2      THR  28  -3.998   1.695  10.175
  195    H    SER  29           H        SER  29  -5.040  -0.572   9.236
  196    HA   SER  29           HA       SER  29  -4.195  -2.214   7.045
  197    HB2  SER  29           1HB      SER  29  -6.488  -2.506   6.578
  198    HB3  SER  29           2HB      SER  29  -6.453  -2.349   8.323
  199    HG   SER  29           HG       SER  29  -7.692  -0.746   6.452
  200    H    PHE  30           H        PHE  30  -4.324  -1.566   4.787
  201    HA   PHE  30           HA       PHE  30  -3.306   0.903   4.213
  202    HB2  PHE  30           1HB      PHE  30  -3.520  -1.265   2.801
  203    HB3  PHE  30           2HB      PHE  30  -5.186  -0.818   2.489
  204    HD1  PHE  30           1HD      PHE  30  -5.708   1.116   1.066
  205    HD2  PHE  30           2HD      PHE  30  -1.701  -0.132   1.698
  206    HE1  PHE  30           1HE      PHE  30  -4.971   2.482  -0.906
  207    HE2  PHE  30           2HE      PHE  30  -0.965   1.235  -0.275
  208    HZ   PHE  30           HZ       PHE  30  -2.609   2.526  -1.553
  209    H    ASP  31           H        ASP  31  -6.762  -0.189   4.026
  210    HA   ASP  31           HA       ASP  31  -7.813   2.070   2.967
  211    HB2  ASP  31           1HB      ASP  31  -8.748  -0.223   4.525
  212    HB3  ASP  31           2HB      ASP  31  -9.648   1.213   4.970
  213    HD2  ASP  31           HD       ASP  31 -11.794   0.256   2.949
  214    H    ASP  32           H        ASP  32  -6.588   1.397   6.237
  215    HA   ASP  32           HA       ASP  32  -7.909   3.492   7.531
  216    HB2  ASP  32           1HB      ASP  32  -6.393   1.365   8.332
  217    HB3  ASP  32           2HB      ASP  32  -5.190   2.632   8.469
  218    HD2  ASP  32           HD       ASP  32  -5.660   4.116  10.566
  219    H    LEU  33           H        LEU  33  -4.983   3.167   5.541
  220    HA   LEU  33           HA       LEU  33  -3.500   5.327   6.360
  221    HB2  LEU  33           1HB      LEU  33  -3.882   4.251   3.562
  222    HB3  LEU  33           2HB      LEU  33  -2.585   5.310   4.076
  223    HG   LEU  33           HG       LEU  33  -3.054   2.562   5.256
  224   HD11  LEU  33          1HD1      LEU  33  -1.243   3.381   2.970
  225   HD12  LEU  33          2HD1      LEU  33  -1.153   1.825   3.831
  226   HD13  LEU  33          3HD1      LEU  33  -2.617   2.251   2.912
  227   HD21  LEU  33          3HD2      LEU  33  -1.134   4.743   5.752
  228   HD22  LEU  33          1HD2      LEU  33  -1.667   3.409   6.803
  229   HD23  LEU  33          2HD2      LEU  33  -0.409   3.126   5.576
  230    HA   PRO  34           HA       PRO  34  -5.715   8.827   5.153
  231    HB2  PRO  34           1HB      PRO  34  -3.740  10.626   4.576
  232    HB3  PRO  34           2HB      PRO  34  -4.237  10.240   6.212
  233    HG2  PRO  34           1HG      PRO  34  -1.802   9.392   4.765
  234    HG3  PRO  34           2HG      PRO  34  -2.114   9.382   6.489
  235    HD2  PRO  34           1HD      PRO  34  -2.149   7.120   4.726
  236    HD3  PRO  34           2HD      PRO  34  -2.573   7.130   6.426
  237    H    ALA  35           H        ALA  35  -6.310  10.419   3.463
  238    HA   ALA  35           HA       ALA  35  -6.324   9.023   0.988
  239    HB1  ALA  35           1HB      ALA  35  -7.511  11.144   0.241
  240    HB2  ALA  35           2HB      ALA  35  -8.251  10.305   1.626
  241    HB3  ALA  35           3HB      ALA  35  -7.271  11.766   1.891
  242    H    ASP  36           H        ASP  36  -4.365  11.575   2.491
  243    HA   ASP  36           HA       ASP  36  -3.263  12.445   0.040
  244    HB2  ASP  36           1HB      ASP  36  -3.406  13.708   2.304
  245    HB3  ASP  36           2HB      ASP  36  -2.038  12.739   2.815
  246    HD2  ASP  36           HD       ASP  36  -0.167  13.051   1.837
  247    H    TRP  37           H        TRP  37  -3.079   9.518   1.555
  248    HA   TRP  37           HA       TRP  37  -0.211   9.152   1.452
  249    HB2  TRP  37           1HB      TRP  37  -1.579   8.163   3.250
  250    HB3  TRP  37           2HB      TRP  37  -2.437   7.199   2.064
  251    HD1  TRP  37           HD       TRP  37   0.580   7.046   4.249
  252    HE1  TRP  37           1HE      TRP  37   2.107   4.949   3.763
  253    HE3  TRP  37           3HE      TRP  37  -1.637   5.794  -0.153
  254    HZ2  TRP  37           2HZ      TRP  37   2.214   3.045   1.640
  255    HZ3  TRP  37           3HZ      TRP  37  -0.761   3.802  -1.369
  256    HH2  TRP  37           HH       TRP  37   1.097   2.446  -0.540
  257    H    VAL  38           H        VAL  38   0.879   8.305  -0.296
  258    HA   VAL  38           HA       VAL  38  -0.591   6.769  -2.254
  259    HB   VAL  38           HB       VAL  38   0.207   8.211  -4.111
  260   HG11  VAL  38          1HG1      VAL  38  -1.616   9.705  -2.202
  261   HG12  VAL  38          2HG1      VAL  38  -1.594   9.789  -3.980
  262   HG13  VAL  38          3HG1      VAL  38  -2.124   8.297  -3.166
  263   HG21  VAL  38          3HG2      VAL  38   0.588  10.451  -2.138
  264   HG22  VAL  38          1HG2      VAL  38   1.940   9.358  -2.523
  265   HG23  VAL  38          2HG2      VAL  38   1.165  10.305  -3.816
  266    H    CYS  39           H        CYS  39   0.840   5.544  -3.654
  267    HA   CYS  39           HA       CYS  39   2.900   4.350  -2.499
  268    HB2  CYS  39           1HB      CYS  39   2.144   3.476  -4.528
  269    HB3  CYS  39           2HB      CYS  39   2.407   4.975  -5.396
  270    HA   PRO  40           HA       PRO  40   5.679   7.802  -2.179
  271    HB2  PRO  40           1HB      PRO  40   7.212   6.789  -0.156
  272    HB3  PRO  40           2HB      PRO  40   5.758   7.728   0.121
  273    HG2  PRO  40           1HG      PRO  40   6.161   4.812   0.390
  274    HG3  PRO  40           2HG      PRO  40   4.881   5.809   1.053
  275    HD2  PRO  40           1HD      PRO  40   4.698   4.070  -1.220
  276    HD3  PRO  40           2HD      PRO  40   3.455   5.154  -0.627
  277    H    VAL  41           H        VAL  41   5.895   6.123  -4.345
  278    HA   VAL  41           HA       VAL  41   8.811   5.932  -4.424
  279    HB   VAL  41           HB       VAL  41   7.003   3.801  -5.557
  280   HG11  VAL  41          1HG1      VAL  41   8.915   2.632  -6.086
  281   HG12  VAL  41          2HG1      VAL  41   9.492   4.302  -6.297
  282   HG13  VAL  41          3HG1      VAL  41   9.880   3.408  -4.808
  283   HG21  VAL  41          3HG2      VAL  41   6.584   3.206  -3.422
  284   HG22  VAL  41          1HG2      VAL  41   8.251   2.582  -3.451
  285   HG23  VAL  41          2HG2      VAL  41   7.916   4.195  -2.777
  286    H    CYS  42           H        CYS  42   5.772   5.537  -6.386
  287    HA   CYS  42           HA       CYS  42   7.135   7.039  -8.492
  288    HB2  CYS  42           1HB      CYS  42   5.828   5.967 -10.078
  289    HB3  CYS  42           2HB      CYS  42   6.244   4.701  -8.941
  290    H    GLY  43           H        GLY  43   4.165   6.714  -6.477
  291    HA2  GLY  43           1HA      GLY  43   3.296   8.849  -5.639
  292    HA3  GLY  43           2HA      GLY  43   3.422   9.466  -7.274
  293    H    ALA  44           H        ALA  44   2.520   6.091  -6.975
  294    HA   ALA  44           HA       ALA  44   0.090   6.494  -8.307
  295    HB1  ALA  44           1HB      ALA  44   1.233   4.405  -8.525
  296    HB2  ALA  44           2HB      ALA  44   1.293   4.173  -6.761
  297    HB3  ALA  44           3HB      ALA  44  -0.261   4.058  -7.621
  298    HA   PRO  45           HA       PRO  45  -2.483   7.518  -4.972
  299    HB2  PRO  45           1HB      PRO  45  -4.922   7.174  -6.156
  300    HB3  PRO  45           2HB      PRO  45  -3.953   8.619  -6.362
  301    HG2  PRO  45           1HG      PRO  45  -4.403   6.403  -8.266
  302    HG3  PRO  45           2HG      PRO  45  -3.809   8.020  -8.584
  303    HD2  PRO  45           1HD      PRO  45  -2.252   5.614  -8.456
  304    HD3  PRO  45           2HD      PRO  45  -1.645   7.245  -8.659
  305    H    LYS  46           H        LYS  46  -3.460   6.666  -3.176
  306    HA   LYS  46           HA       LYS  46  -3.151   3.942  -2.831
  307    HB2  LYS  46           1HB      LYS  46  -4.110   4.259  -0.722
  308    HB3  LYS  46           2HB      LYS  46  -3.373   5.805  -1.094
  309    HG2  LYS  46           1HG      LYS  46  -5.401   6.735  -0.657
  310    HG3  LYS  46           2HG      LYS  46  -5.927   6.078  -2.194
  311    HD2  LYS  46           1HD      LYS  46  -7.536   5.197  -0.726
  312    HD3  LYS  46           2HD      LYS  46  -6.397   3.871  -0.839
  313    HE2  LYS  46           1HE      LYS  46  -6.900   4.182   1.512
  314    HE3  LYS  46           2HE      LYS  46  -5.258   4.739   1.258
  315    HZ1  LYS  46           2HZ      LYS  46  -6.439   6.381   2.535
  316    HZ3  LYS  46           1HZ      LYS  46  -7.665   6.464   1.467
  317    H    SER  47           H        SER  47  -5.527   5.689  -4.631
  318    HA   SER  47           HA       SER  47  -7.593   3.778  -4.275
  319    HB2  SER  47           1HB      SER  47  -7.551   6.368  -5.116
  320    HB3  SER  47           2HB      SER  47  -7.578   5.569  -6.676
  321    HG   SER  47           HG       SER  47  -9.732   5.933  -5.985
  322    H    GLU  48           H        GLU  48  -4.708   4.077  -6.216
  323    HA   GLU  48           HA       GLU  48  -5.733   2.184  -8.154
  324    HB2  GLU  48           1HB      GLU  48  -3.223   3.899  -8.044
  325    HB3  GLU  48           2HB      GLU  48  -3.432   2.639  -9.245
  326    HG2  GLU  48           1HG      GLU  48  -5.442   3.711 -10.131
  327    HG3  GLU  48           2HG      GLU  48  -5.474   4.865  -8.813
  328    HE2  GLU  48           HE       GLU  48  -5.407   6.376 -10.364
  329    H    PHE  49           H        PHE  49  -5.201   1.484  -5.288
  330    HA   PHE  49           HA       PHE  49  -2.917  -0.315  -5.637
  331    HB2  PHE  49           1HB      PHE  49  -4.313   1.155  -3.401
  332    HB3  PHE  49           2HB      PHE  49  -3.722  -0.440  -2.982
  333    HD1  PHE  49           2HD      PHE  49  -2.599   2.773  -4.492
  334    HD2  PHE  49           1HD      PHE  49  -1.502  -0.720  -2.345
  335    HE1  PHE  49           2HE      PHE  49  -0.303   3.719  -4.125
  336    HE2  PHE  49           1HE      PHE  49   0.793   0.226  -1.979
  337    HZ   PHE  49           HZ       PHE  49   1.365   2.435  -2.873
  338    H    GLU  50           H        GLU  50  -3.175  -2.532  -5.583
  339    HA   GLU  50           HA       GLU  50  -5.851  -3.464  -4.906
  340    HB2  GLU  50           1HB      GLU  50  -5.859  -3.580  -7.278
  341    HB3  GLU  50           2HB      GLU  50  -4.186  -4.097  -7.358
  342    HG2  GLU  50           1HG      GLU  50  -4.688  -6.314  -6.821
  343    HG3  GLU  50           2HG      GLU  50  -6.093  -5.883  -5.867
  344    HE2  GLU  50           HE       GLU  50  -8.197  -5.535  -8.600
  345    H    ALA  51           H        ALA  51  -5.949  -5.597  -3.950
  346    HA   ALA  51           HA       ALA  51  -3.607  -6.226  -2.450
  347    HB1  ALA  51           1HB      ALA  51  -5.318  -8.263  -1.942
  348    HB2  ALA  51           2HB      ALA  51  -5.463  -6.660  -1.182
  349    HB3  ALA  51           3HB      ALA  51  -6.465  -7.069  -2.596
  350    H    ALA  52           H        ALA  52  -2.006  -7.650  -2.945
  351    HA   ALA  52           HA       ALA  52  -2.362  -9.201  -5.393
  352    HB1  ALA  52           1HB      ALA  52  -0.323  -7.574  -4.504
  353    HB2  ALA  52           2HB      ALA  52   0.268  -9.188  -4.044
  354    HB3  ALA  52           3HB      ALA  52  -0.150  -8.843  -5.740
  Start of MODEL    3
    1    H1   MET   1           H        MET   1  -2.164 -11.967   7.797
    2    HA   MET   1           HA       MET   1  -2.915 -10.059   7.000
    3    HB2  MET   1           1HB      MET   1  -0.131  -9.718   8.000
    4    HB3  MET   1           2HB      MET   1  -0.642  -8.399   6.966
    5    HG2  MET   1           1HG      MET   1  -2.628  -9.288   9.032
    6    HG3  MET   1           2HG      MET   1  -1.186  -8.501   9.642
    7    HE1  MET   1           3HE      MET   1  -4.521  -8.156   8.784
    8    HE2  MET   1           1HE      MET   1  -4.083  -6.989  10.055
    9    HE3  MET   1           2HE      MET   1  -4.776  -6.414   8.520
   10    H    LYS   2           H        LYS   2  -3.606 -10.113   4.875
   11    HA   LYS   2           HA       LYS   2  -1.911 -10.504   2.697
   12    HB2  LYS   2           1HB      LYS   2  -3.819 -10.101   1.358
   13    HB3  LYS   2           2HB      LYS   2  -4.401 -10.883   2.814
   14    HG2  LYS   2           1HG      LYS   2  -5.693  -9.095   3.355
   15    HG3  LYS   2           2HG      LYS   2  -4.339  -7.993   3.209
   16    HD2  LYS   2           1HD      LYS   2  -5.029  -7.269   1.166
   17    HD3  LYS   2           2HD      LYS   2  -5.196  -8.907   0.564
   18    HE2  LYS   2           1HE      LYS   2  -7.357  -8.686   2.327
   19    HE3  LYS   2           2HE      LYS   2  -7.264  -7.078   1.637
   20    HZ1  LYS   2           2HZ      LYS   2  -7.748  -9.622   0.246
   21    HZ3  LYS   2           1HZ      LYS   2  -7.062  -8.405  -0.590
   22    H    LYS   3           H        LYS   3  -1.120  -9.038   1.081
   23    HA   LYS   3           HA       LYS   3  -1.011  -6.253   2.001
   24    HB2  LYS   3           1HB      LYS   3   1.341  -6.190   1.161
   25    HB3  LYS   3           2HB      LYS   3   1.105  -7.185   2.583
   26    HG2  LYS   3           1HG      LYS   3   0.694  -8.753   0.139
   27    HG3  LYS   3           2HG      LYS   3   2.266  -7.979   0.124
   28    HD2  LYS   3           1HD      LYS   3   2.961  -9.713   1.428
   29    HD3  LYS   3           2HD      LYS   3   2.125  -8.906   2.739
   30    HE2  LYS   3           1HE      LYS   3   0.546 -10.541   2.850
   31    HE3  LYS   3           2HE      LYS   3   0.220 -10.434   1.132
   32    HZ1  LYS   3           2HZ      LYS   3   2.469 -11.960   2.335
   33    HZ3  LYS   3           1HZ      LYS   3   2.168 -11.859   0.738
   34    H    TYR   4           H        TYR   4  -0.751  -4.664   0.265
   35    HA   TYR   4           HA       TYR   4  -1.896  -5.698  -2.232
   36    HB2  TYR   4           1HB      TYR   4  -1.688  -2.763  -1.572
   37    HB3  TYR   4           2HB      TYR   4  -3.055  -3.632  -2.239
   38    HD1  TYR   4           2HD      TYR   4  -1.268  -2.801   0.900
   39    HD2  TYR   4           1HD      TYR   4  -4.798  -4.492  -0.829
   40    HE1  TYR   4           2HE      TYR   4  -2.403  -2.775   3.174
   41    HE2  TYR   4           1HE      TYR   4  -5.921  -4.460   1.452
   42    HH   TYR   4           HH       TYR   4  -5.240  -4.485   3.792
   43    H    VAL   5           H        VAL   5  -1.342  -3.630  -3.968
   44    HA   VAL   5           HA       VAL   5   1.521  -3.161  -3.854
   45    HB   VAL   5           HB       VAL   5   0.145  -4.717  -6.050
   46   HG11  VAL   5          1HG1      VAL   5   3.076  -4.010  -6.043
   47   HG12  VAL   5          2HG1      VAL   5   2.043  -4.536  -7.394
   48   HG13  VAL   5          3HG1      VAL   5   1.871  -2.894  -6.730
   49   HG21  VAL   5          3HG2      VAL   5   2.236  -6.237  -5.414
   50   HG22  VAL   5          1HG2      VAL   5   2.045  -5.413  -3.847
   51   HG23  VAL   5          2HG2      VAL   5   0.693  -6.346  -4.533
   52    H    CYS   6           H        CYS   6   2.179  -1.370  -5.164
   53    HA   CYS   6           HA       CYS   6   0.478   0.712  -5.288
   54    HB2  CYS   6           1HB      CYS   6   2.674   1.297  -5.557
   55    HB3  CYS   6           2HB      CYS   6   2.998   0.031  -6.724
   56    H    THR   7           H        THR   7   1.354  -1.541  -8.013
   57    HA   THR   7           HA       THR   7   0.096  -2.307  -9.703
   58    HB   THR   7           HB       THR   7  -2.229  -0.552  -8.814
   59    HG1  THR   7           1HG      THR   7  -0.890  -2.853  -7.662
   60   HG21  THR   7          3HG2      THR   7  -2.318  -3.488  -9.556
   61   HG22  THR   7          1HG2      THR   7  -3.579  -2.246  -9.747
   62   HG23  THR   7          2HG2      THR   7  -2.188  -2.281 -10.858
   63    H    VAL   8           H        VAL   8   1.841   0.086  -9.678
   64    HA   VAL   8           HA       VAL   8   0.912   1.125 -12.222
   65    HB   VAL   8           HB       VAL   8   1.821   3.055 -10.106
   66   HG11  VAL   8          1HG1      VAL   8   1.741   3.563 -12.631
   67   HG12  VAL   8          2HG1      VAL   8  -0.028   3.563 -12.441
   68   HG13  VAL   8          3HG1      VAL   8   0.965   4.721 -11.524
   69   HG21  VAL   8          3HG2      VAL   8  -1.002   2.061 -10.585
   70   HG22  VAL   8          1HG2      VAL   8  -0.083   2.070  -9.061
   71   HG23  VAL   8          2HG2      VAL   8  -0.631   3.604  -9.779
   72    H    CYS   9           H        CYS   9   3.421   1.042  -9.625
   73    HA   CYS   9           HA       CYS   9   5.404   1.022 -11.783
   74    HB2  CYS   9           1HB      CYS   9   6.898   2.302 -10.539
   75    HB3  CYS   9           2HB      CYS   9   5.357   3.117 -10.362
   76    H    GLY  10           H        GLY  10   4.607   0.086  -8.364
   77    HA2  GLY  10           1HA      GLY  10   4.717  -2.431  -8.127
   78    HA3  GLY  10           2HA      GLY  10   6.374  -2.262  -8.672
   79    H    TYR  11           H        TYR  11   4.163  -1.977  -5.981
   80    HA   TYR  11           HA       TYR  11   6.354  -1.765  -4.162
   81    HB2  TYR  11           1HB      TYR  11   5.993   0.629  -4.809
   82    HB3  TYR  11           2HB      TYR  11   4.264   0.457  -4.587
   83    HD1  TYR  11           2HD      TYR  11   7.432   0.022  -2.613
   84    HD2  TYR  11           1HD      TYR  11   3.340   1.273  -2.621
   85    HE1  TYR  11           2HE      TYR  11   7.657   0.800  -0.203
   86    HE2  TYR  11           1HE      TYR  11   3.580   2.047  -0.211
   87    HH   TYR  11           HH       TYR  11   6.416   2.611   1.226
   88    H    GLU  12           H        GLU  12   5.770  -3.382  -2.795
   89    HA   GLU  12           HA       GLU  12   2.957  -3.757  -2.293
   90    HB2  GLU  12           1HB      GLU  12   3.672  -5.866  -1.202
   91    HB3  GLU  12           2HB      GLU  12   4.317  -5.735  -2.826
   92    HG2  GLU  12           1HG      GLU  12   6.235  -4.479  -1.123
   93    HG3  GLU  12           2HG      GLU  12   5.754  -5.949  -0.300
   94    HE2  GLU  12           HE       GLU  12   7.291  -5.761  -3.924
   95    H    TYR  13           H        TYR  13   1.941  -2.950  -0.507
   96    HA   TYR  13           HA       TYR  13   3.631  -1.801   1.576
   97    HB2  TYR  13           1HB      TYR  13   1.888  -0.359   0.637
   98    HB3  TYR  13           2HB      TYR  13   0.719  -1.665   0.625
   99    HD1  TYR  13           2HD      TYR  13   2.401   0.858   2.716
  100    HD2  TYR  13           1HD      TYR  13  -0.527  -2.261   2.634
  101    HE1  TYR  13           2HE      TYR  13   1.491   1.644   4.956
  102    HE2  TYR  13           1HE      TYR  13  -1.427  -1.465   4.875
  103    HH   TYR  13           HH       TYR  13  -0.247  -0.115   6.910
  104    H    ASP  14           H        ASP  14   3.573  -2.439   3.733
  105    HA   ASP  14           HA       ASP  14   2.108  -4.914   4.167
  106    HB2  ASP  14           1HB      ASP  14   4.786  -4.295   4.592
  107    HB3  ASP  14           2HB      ASP  14   4.110  -4.051   6.190
  108    HD2  ASP  14           HD       ASP  14   5.733  -6.881   5.482
  109    HA   PRO  15           HA       PRO  15  -0.223  -2.261   6.869
  110    HB2  PRO  15           1HB      PRO  15  -2.289  -3.985   7.345
  111    HB3  PRO  15           2HB      PRO  15  -2.241  -2.904   5.966
  112    HG2  PRO  15           1HG      PRO  15  -1.778  -5.822   6.049
  113    HG3  PRO  15           2HG      PRO  15  -2.152  -4.809   4.669
  114    HD2  PRO  15           1HD      PRO  15   0.415  -5.885   5.362
  115    HD3  PRO  15           2HD      PRO  15   0.061  -4.779   4.050
  116    H    ALA  16           H        ALA  16   0.735  -5.526   7.566
  117    HA   ALA  16           HA       ALA  16   0.203  -5.338  10.339
  118    HB1  ALA  16           1HB      ALA  16   0.664  -7.371   8.651
  119    HB2  ALA  16           2HB      ALA  16   2.324  -7.157   9.257
  120    HB3  ALA  16           3HB      ALA  16   0.998  -7.498  10.395
  121    H    GLU  17           H        GLU  17   2.531  -3.867   8.284
  122    HA   GLU  17           HA       GLU  17   4.324  -3.533  10.558
  123    HB2  GLU  17           1HB      GLU  17   5.213  -4.560   8.377
  124    HB3  GLU  17           2HB      GLU  17   4.978  -2.991   7.634
  125    HG2  GLU  17           1HG      GLU  17   7.160  -2.692   8.334
  126    HG3  GLU  17           2HG      GLU  17   6.359  -2.164   9.800
  127    HE2  GLU  17           HE       GLU  17   7.840  -5.915   9.836
  128    H    GLY  18           H        GLY  18   2.972  -1.781   7.670
  129    HA2  GLY  18           1HA      GLY  18   1.734   0.262   8.159
  130    HA3  GLY  18           2HA      GLY  18   2.984   0.680   9.314
  131    H    ASP  19           H        ASP  19   4.069   2.430   8.498
  132    HA   ASP  19           HA       ASP  19   5.750   2.110   6.340
  133    HB2  ASP  19           1HB      ASP  19   3.209   2.544   5.392
  134    HB3  ASP  19           2HB      ASP  19   3.753   4.201   5.563
  135    HD2  ASP  19           HD       ASP  19   5.206   1.537   3.068
  136    HA   PRO  20           HA       PRO  20   6.971   5.598   8.775
  137    HB2  PRO  20           1HB      PRO  20   9.541   5.803   7.870
  138    HB3  PRO  20           2HB      PRO  20   9.064   4.719   9.161
  139    HG2  PRO  20           1HG      PRO  20   9.728   4.077   6.353
  140    HG3  PRO  20           2HG      PRO  20   9.667   3.006   7.739
  141    HD2  PRO  20           1HD      PRO  20   7.704   3.236   5.661
  142    HD3  PRO  20           2HD      PRO  20   7.590   2.251   7.106
  143    H    ASP  21           H        ASP  21   7.493   5.456   5.322
  144    HA   ASP  21           HA       ASP  21   8.170   7.931   4.729
  145    HB2  ASP  21           1HB      ASP  21   7.190   5.858   3.298
  146    HB3  ASP  21           2HB      ASP  21   5.759   6.868   3.266
  147    HD2  ASP  21           HD       ASP  21   7.339   9.492   1.694
  148    H    ASN  22           H        ASN  22   4.801   6.780   5.480
  149    HA   ASN  22           HA       ASN  22   4.071   9.580   5.834
  150    HB2  ASN  22           1HB      ASN  22   2.545   7.153   4.851
  151    HB3  ASN  22           2HB      ASN  22   1.648   8.418   5.667
  152   HD21  ASN  22          1HD2      ASN  22   4.019   7.847   3.093
  153   HD22  ASN  22          2HD2      ASN  22   3.503   9.109   2.025
  154    H    GLY  23           H        GLY  23   5.456   7.952   7.841
  155    HA2  GLY  23           1HA      GLY  23   5.224   7.006   9.902
  156    HA3  GLY  23           2HA      GLY  23   4.297   8.468  10.169
  157    H    VAL  24           H        VAL  24   4.162   4.979   9.581
  158    HA   VAL  24           HA       VAL  24   1.330   5.065  10.328
  159    HB   VAL  24           HB       VAL  24   2.634   3.651   8.019
  160   HG11  VAL  24          1HG1      VAL  24   1.429   1.968   9.443
  161   HG12  VAL  24          2HG1      VAL  24  -0.065   2.899   9.182
  162   HG13  VAL  24          3HG1      VAL  24   0.771   2.151   7.800
  163   HG21  VAL  24          3HG2      VAL  24   1.516   5.891   7.744
  164   HG22  VAL  24          1HG2      VAL  24   0.844   4.590   6.732
  165   HG23  VAL  24          2HG2      VAL  24  -0.018   5.112   8.199
  166    H    LYS  25           H        LYS  25   0.631   3.297  11.634
  167    HA   LYS  25           HA       LYS  25   2.861   1.999  12.980
  168    HB2  LYS  25           1HB      LYS  25  -0.025   2.520  13.686
  169    HB3  LYS  25           2HB      LYS  25   0.922   1.342  14.572
  170    HG2  LYS  25           1HG      LYS  25   1.606   3.114  15.838
  171    HG3  LYS  25           2HG      LYS  25   2.678   3.477  14.500
  172    HD2  LYS  25           1HD      LYS  25   1.590   5.524  14.686
  173    HD3  LYS  25           2HD      LYS  25   0.538   4.742  13.523
  174    HE2  LYS  25           1HE      LYS  25  -0.169   4.141  16.344
  175    HE3  LYS  25           2HE      LYS  25  -0.282   5.844  15.945
  176    HZ1  LYS  25           2HZ      LYS  25  -1.416   4.245  13.874
  177    HZ3  LYS  25           1HZ      LYS  25  -2.119   5.434  14.736
  178    HA   PRO  26           HA       PRO  26   1.994  -1.886  11.315
  179    HB2  PRO  26           1HB      PRO  26   2.592  -3.603  13.356
  180    HB3  PRO  26           2HB      PRO  26   3.812  -2.849  12.349
  181    HG2  PRO  26           1HG      PRO  26   3.049  -2.205  15.131
  182    HG3  PRO  26           2HG      PRO  26   4.511  -1.774  14.266
  183    HD2  PRO  26           1HD      PRO  26   2.284  -0.058  14.835
  184    HD3  PRO  26           2HD      PRO  26   3.694   0.338  13.871
  185    H    GLY  27           H        GLY  27   0.456  -3.459  10.890
  186    HA2  GLY  27           1HA      GLY  27  -1.389  -4.730  11.472
  187    HA3  GLY  27           2HA      GLY  27  -1.599  -3.795  12.939
  188    H    THR  28           H        THR  28  -1.110  -1.248  11.140
  189    HA   THR  28           HA       THR  28  -3.810  -0.581  10.836
  190    HB   THR  28           HB       THR  28  -1.246   0.602   9.646
  191    HG1  THR  28           1HG      THR  28  -1.092   1.165  11.779
  192   HG21  THR  28          3HG2      THR  28  -3.947   1.317   9.101
  193   HG22  THR  28          1HG2      THR  28  -3.398   2.460  10.350
  194   HG23  THR  28          2HG2      THR  28  -2.505   2.321   8.817
  195    H    SER  29           H        SER  29  -5.116  -0.226   8.976
  196    HA   SER  29           HA       SER  29  -4.375  -2.070   6.852
  197    HB2  SER  29           1HB      SER  29  -6.442  -2.854   7.462
  198    HB3  SER  29           2HB      SER  29  -6.928  -1.331   8.179
  199    HG   SER  29           HG       SER  29  -7.715  -2.308   5.835
  200    H    PHE  30           H        PHE  30  -4.748  -1.416   4.597
  201    HA   PHE  30           HA       PHE  30  -3.917   1.185   4.067
  202    HB2  PHE  30           1HB      PHE  30  -3.983  -1.133   2.713
  203    HB3  PHE  30           2HB      PHE  30  -5.556  -0.574   2.178
  204    HD1  PHE  30           2HD      PHE  30  -1.943   0.052   2.027
  205    HD2  PHE  30           1HD      PHE  30  -5.761   1.246   0.609
  206    HE1  PHE  30           2HE      PHE  30  -0.849   1.391   0.207
  207    HE2  PHE  30           1HE      PHE  30  -4.667   2.584  -1.211
  208    HZ   PHE  30           HZ       PHE  30  -2.224   2.641  -1.390
  209    H    ASP  31           H        ASP  31  -7.165  -0.289   4.330
  210    HA   ASP  31           HA       ASP  31  -8.555   1.714   3.036
  211    HB2  ASP  31           1HB      ASP  31  -9.124  -0.548   4.831
  212    HB3  ASP  31           2HB      ASP  31 -10.218   0.789   5.127
  213    HD2  ASP  31           HD       ASP  31 -10.502  -1.968   3.325
  214    H    ASP  32           H        ASP  32  -6.781   1.689   6.004
  215    HA   ASP  32           HA       ASP  32  -8.405   3.774   7.172
  216    HB2  ASP  32           1HB      ASP  32  -6.894   1.663   8.235
  217    HB3  ASP  32           2HB      ASP  32  -5.876   3.059   8.531
  218    HD2  ASP  32           HD       ASP  32  -8.218   4.497  10.750
  219    H    LEU  33           H        LEU  33  -5.376   3.122   5.451
  220    HA   LEU  33           HA       LEU  33  -3.761   5.182   6.170
  221    HB2  LEU  33           1HB      LEU  33  -4.248   3.789   3.557
  222    HB3  LEU  33           2HB      LEU  33  -3.088   5.099   3.665
  223    HG   LEU  33           HG       LEU  33  -3.008   2.522   5.259
  224   HD11  LEU  33          1HD1      LEU  33  -1.037   3.397   3.151
  225   HD12  LEU  33          2HD1      LEU  33  -1.277   1.784   3.865
  226   HD13  LEU  33          3HD1      LEU  33  -2.493   2.454   2.752
  227   HD21  LEU  33          3HD2      LEU  33  -0.529   3.920   5.320
  228   HD22  LEU  33          1HD2      LEU  33  -1.813   5.051   5.809
  229   HD23  LEU  33          2HD2      LEU  33  -1.613   3.507   6.670
  230    HA   PRO  34           HA       PRO  34  -5.710   8.825   4.928
  231    HB2  PRO  34           1HB      PRO  34  -3.585  10.495   4.526
  232    HB3  PRO  34           2HB      PRO  34  -4.222  10.120   6.115
  233    HG2  PRO  34           1HG      PRO  34  -1.751   9.131   4.828
  234    HG3  PRO  34           2HG      PRO  34  -2.186   9.117   6.525
  235    HD2  PRO  34           1HD      PRO  34  -2.243   6.888   4.720
  236    HD3  PRO  34           2HD      PRO  34  -2.787   6.902   6.386
  237    H    ALA  35           H        ALA  35  -6.690   9.767   3.206
  238    HA   ALA  35           HA       ALA  35  -6.350   8.628   0.749
  239    HB1  ALA  35           1HB      ALA  35  -7.239  11.187   0.179
  240    HB2  ALA  35           2HB      ALA  35  -8.266   9.831   0.704
  241    HB3  ALA  35           3HB      ALA  35  -7.662  11.004   1.899
  242    H    ASP  36           H        ASP  36  -4.661  11.448   2.205
  243    HA   ASP  36           HA       ASP  36  -3.433  12.337  -0.081
  244    HB2  ASP  36           1HB      ASP  36  -1.574  13.023   1.693
  245    HB3  ASP  36           2HB      ASP  36  -3.151  13.786   1.717
  246    HD2  ASP  36           HD       ASP  36  -4.335  13.511   3.537
  247    H    TRP  37           H        TRP  37  -2.830   9.560   2.047
  248    HA   TRP  37           HA       TRP  37  -0.162   9.058   1.546
  249    HB2  TRP  37           1HB      TRP  37  -1.606   7.934   3.225
  250    HB3  TRP  37           2HB      TRP  37  -2.375   7.036   1.932
  251    HD1  TRP  37           HD       TRP  37   0.616   6.885   4.193
  252    HE1  TRP  37           1HE      TRP  37   2.199   4.843   3.657
  253    HE3  TRP  37           3HE      TRP  37  -1.538   5.709  -0.260
  254    HZ2  TRP  37           2HZ      TRP  37   2.369   3.006   1.479
  255    HZ3  TRP  37           3HZ      TRP  37  -0.604   3.777  -1.528
  256    HH2  TRP  37           HH       TRP  37   1.282   2.444  -0.726
  257    H    VAL  38           H        VAL  38   0.959   8.017  -0.140
  258    HA   VAL  38           HA       VAL  38  -0.494   6.783  -2.276
  259    HB   VAL  38           HB       VAL  38   0.382   8.312  -4.011
  260   HG11  VAL  38          1HG1      VAL  38  -1.363   9.925  -3.826
  261   HG12  VAL  38          2HG1      VAL  38  -1.957   8.441  -3.045
  262   HG13  VAL  38          3HG1      VAL  38  -1.385   9.802  -2.051
  263   HG21  VAL  38          3HG2      VAL  38   2.044   9.303  -2.116
  264   HG22  VAL  38          1HG2      VAL  38   1.603  10.179  -3.602
  265   HG23  VAL  38          2HG2      VAL  38   0.757  10.532  -2.076
  266    H    CYS  39           H        CYS  39   0.917   5.554  -3.662
  267    HA   CYS  39           HA       CYS  39   2.930   4.267  -2.521
  268    HB2  CYS  39           1HB      CYS  39   2.176   3.469  -4.579
  269    HB3  CYS  39           2HB      CYS  39   2.477   4.988  -5.400
  270    HA   PRO  40           HA       PRO  40   5.795   7.635  -2.074
  271    HB2  PRO  40           1HB      PRO  40   7.266   6.534  -0.051
  272    HB3  PRO  40           2HB      PRO  40   5.835   7.508   0.224
  273    HG2  PRO  40           1HG      PRO  40   6.150   4.576   0.434
  274    HG3  PRO  40           2HG      PRO  40   4.889   5.595   1.100
  275    HD2  PRO  40           1HD      PRO  40   4.693   3.912  -1.215
  276    HD3  PRO  40           2HD      PRO  40   3.472   5.018  -0.617
  277    H    VAL  41           H        VAL  41   5.983   5.927  -4.253
  278    HA   VAL  41           HA       VAL  41   8.900   5.662  -4.291
  279    HB   VAL  41           HB       VAL  41   7.060   3.645  -5.563
  280   HG11  VAL  41          1HG1      VAL  41   8.934   2.507  -6.139
  281   HG12  VAL  41          2HG1      VAL  41   9.696   4.108  -5.988
  282   HG13  VAL  41          3HG1      VAL  41   9.793   2.946  -4.643
  283   HG21  VAL  41          3HG2      VAL  41   7.497   2.152  -3.645
  284   HG22  VAL  41          1HG2      VAL  41   8.317   3.488  -2.802
  285   HG23  VAL  41          2HG2      VAL  41   6.579   3.600  -3.169
  286    H    CYS  42           H        CYS  42   5.843   5.580  -6.254
  287    HA   CYS  42           HA       CYS  42   7.324   7.066  -8.298
  288    HB2  CYS  42           1HB      CYS  42   6.042   6.090  -9.963
  289    HB3  CYS  42           2HB      CYS  42   6.390   4.768  -8.866
  290    H    GLY  43           H        GLY  43   4.344   6.757  -6.313
  291    HA2  GLY  43           1HA      GLY  43   3.515   8.892  -5.439
  292    HA3  GLY  43           2HA      GLY  43   3.644   9.533  -7.064
  293    H    ALA  44           H        ALA  44   2.703   6.179  -6.910
  294    HA   ALA  44           HA       ALA  44   0.275   6.642  -8.195
  295    HB1  ALA  44           1HB      ALA  44   1.748   4.533  -8.102
  296    HB2  ALA  44           2HB      ALA  44   0.960   4.192  -6.543
  297    HB3  ALA  44           3HB      ALA  44  -0.013   4.289  -8.030
  298    HA   PRO  45           HA       PRO  45  -2.271   7.672  -4.840
  299    HB2  PRO  45           1HB      PRO  45  -4.713   7.445  -6.046
  300    HB3  PRO  45           2HB      PRO  45  -3.695   8.862  -6.204
  301    HG2  PRO  45           1HG      PRO  45  -4.208   6.719  -8.174
  302    HG3  PRO  45           2HG      PRO  45  -3.557   8.324  -8.442
  303    HD2  PRO  45           1HD      PRO  45  -2.084   5.865  -8.377
  304    HD3  PRO  45           2HD      PRO  45  -1.421   7.480  -8.529
  305    H    LYS  46           H        LYS  46  -3.316   6.809  -3.081
  306    HA   LYS  46           HA       LYS  46  -3.092   4.064  -2.812
  307    HB2  LYS  46           1HB      LYS  46  -3.931   4.372  -0.690
  308    HB3  LYS  46           2HB      LYS  46  -3.333   5.977  -1.060
  309    HG2  LYS  46           1HG      LYS  46  -5.417   6.735  -0.557
  310    HG3  LYS  46           2HG      LYS  46  -5.931   6.052  -2.086
  311    HD2  LYS  46           1HD      LYS  46  -7.212   4.523  -1.012
  312    HD3  LYS  46           2HD      LYS  46  -5.809   3.902  -0.166
  313    HE2  LYS  46           1HE      LYS  46  -6.250   6.234   1.239
  314    HE3  LYS  46           2HE      LYS  46  -7.890   5.826   0.772
  315    HZ1  LYS  46           2HZ      LYS  46  -6.040   4.257   2.439
  316    HZ3  LYS  46           1HZ      LYS  46  -7.216   3.474   1.628
  317    H    SER  47           H        SER  47  -5.387   5.940  -4.581
  318    HA   SER  47           HA       SER  47  -7.522   4.092  -4.293
  319    HB2  SER  47           1HB      SER  47  -7.249   6.724  -5.204
  320    HB3  SER  47           2HB      SER  47  -7.590   5.834  -6.675
  321    HG   SER  47           HG       SER  47  -9.200   5.162  -4.446
  322    H    GLU  48           H        GLU  48  -4.622   4.374  -6.227
  323    HA   GLU  48           HA       GLU  48  -5.695   2.564  -8.217
  324    HB2  GLU  48           1HB      GLU  48  -3.151   4.220  -8.052
  325    HB3  GLU  48           2HB      GLU  48  -3.364   2.986  -9.278
  326    HG2  GLU  48           1HG      GLU  48  -5.423   4.107 -10.092
  327    HG3  GLU  48           2HG      GLU  48  -5.298   5.307  -8.821
  328    HE2  GLU  48           HE       GLU  48  -4.155   6.364 -11.998
  329    H    PHE  49           H        PHE  49  -5.094   1.845  -5.322
  330    HA   PHE  49           HA       PHE  49  -2.919  -0.062  -5.767
  331    HB2  PHE  49           1HB      PHE  49  -4.129   1.493  -3.494
  332    HB3  PHE  49           2HB      PHE  49  -3.679  -0.149  -3.078
  333    HD1  PHE  49           2HD      PHE  49  -2.243   2.837  -4.803
  334    HD2  PHE  49           1HD      PHE  49  -1.535  -0.528  -2.316
  335    HE1  PHE  49           2HE      PHE  49   0.138   3.568  -4.492
  336    HE2  PHE  49           1HE      PHE  49   0.846   0.204  -2.005
  337    HZ   PHE  49           HZ       PHE  49   1.654   2.243  -3.097
  338    H    GLU  50           H        GLU  50  -3.279  -2.264  -5.725
  339    HA   GLU  50           HA       GLU  50  -5.994  -3.061  -5.018
  340    HB2  GLU  50           1HB      GLU  50  -5.916  -3.235  -7.398
  341    HB3  GLU  50           2HB      GLU  50  -4.291  -3.891  -7.389
  342    HG2  GLU  50           1HG      GLU  50  -5.000  -6.033  -6.743
  343    HG3  GLU  50           2HG      GLU  50  -6.434  -5.435  -5.934
  344    HE2  GLU  50           HE       GLU  50  -7.961  -4.487  -7.318
  345    H    ALA  51           H        ALA  51  -6.215  -5.137  -3.975
  346    HA   ALA  51           HA       ALA  51  -3.863  -5.861  -2.488
  347    HB1  ALA  51           1HB      ALA  51  -6.613  -7.155  -2.463
  348    HB2  ALA  51           2HB      ALA  51  -5.383  -7.171  -1.176
  349    HB3  ALA  51           3HB      ALA  51  -6.233  -5.659  -1.576
  350    H    ALA  52           H        ALA  52  -2.382  -7.311  -3.184
  351    HA   ALA  52           HA       ALA  52  -2.914  -8.889  -5.497
  352    HB1  ALA  52           1HB      ALA  52  -0.559  -9.282  -3.653
  353    HB2  ALA  52           2HB      ALA  52  -0.629  -9.357  -5.430
  354    HB3  ALA  52           3HB      ALA  52  -0.699  -7.783  -4.603
  Start of MODEL    4
    1    H1   MET   1           H        MET   1  -3.932 -13.123   2.930
    2    HA   MET   1           HA       MET   1  -1.582 -13.590   4.543
    3    HB2  MET   1           1HB      MET   1  -1.725 -13.554   1.511
    4    HB3  MET   1           2HB      MET   1  -0.308 -12.858   2.272
    5    HG2  MET   1           1HG      MET   1  -0.940 -15.423   3.520
    6    HG3  MET   1           2HG      MET   1  -0.826 -15.620   1.783
    7    HE1  MET   1           3HE      MET   1   2.289 -15.955   4.576
    8    HE2  MET   1           1HE      MET   1   0.628 -16.541   4.319
    9    HE3  MET   1           2HE      MET   1   1.943 -17.101   3.258
   10    H    LYS   2           H        LYS   2  -3.318 -11.499   2.158
   11    HA   LYS   2           HA       LYS   2  -3.856  -9.331   2.386
   12    HB2  LYS   2           1HB      LYS   2  -3.274  -9.784   4.945
   13    HB3  LYS   2           2HB      LYS   2  -1.886  -8.785   4.569
   14    HG2  LYS   2           1HG      LYS   2  -3.474  -7.177   5.219
   15    HG3  LYS   2           2HG      LYS   2  -3.630  -7.150   3.474
   16    HD2  LYS   2           1HD      LYS   2  -5.354  -9.223   4.607
   17    HD3  LYS   2           2HD      LYS   2  -5.677  -7.681   5.376
   18    HE2  LYS   2           1HE      LYS   2  -6.684  -6.851   3.509
   19    HE3  LYS   2           2HE      LYS   2  -5.355  -7.346   2.480
   20    HZ1  LYS   2           2HZ      LYS   2  -6.935  -8.781   1.713
   21    HZ3  LYS   2           1HZ      LYS   2  -7.810  -8.786   3.087
   22    H    LYS   3           H        LYS   3  -1.716  -7.282   3.108
   23    HA   LYS   3           HA       LYS   3  -0.129  -6.151   2.073
   24    HB2  LYS   3           1HB      LYS   3   0.765  -8.968   1.702
   25    HB3  LYS   3           2HB      LYS   3   1.549  -7.756   0.708
   26    HG2  LYS   3           1HG      LYS   3   2.890  -7.715   2.633
   27    HG3  LYS   3           2HG      LYS   3   1.782  -6.397   2.956
   28    HD2  LYS   3           1HD      LYS   3   1.555  -7.524   4.964
   29    HD3  LYS   3           2HD      LYS   3   0.313  -8.366   4.058
   30    HE2  LYS   3           1HE      LYS   3   1.686 -10.273   3.687
   31    HE3  LYS   3           2HE      LYS   3   3.168  -9.387   3.989
   32    HZ1  LYS   3           2HZ      LYS   3   3.011 -10.105   6.099
   33    HZ3  LYS   3           1HZ      LYS   3   1.530 -10.742   5.868
   34    H    TYR   4           H        TYR   4  -0.642  -4.793   0.452
   35    HA   TYR   4           HA       TYR   4  -1.823  -5.977  -1.956
   36    HB2  TYR   4           1HB      TYR   4  -1.686  -3.010  -1.407
   37    HB3  TYR   4           2HB      TYR   4  -3.042  -3.941  -2.012
   38    HD1  TYR   4           1HD      TYR   4  -1.278  -2.802   1.014
   39    HD2  TYR   4           2HD      TYR   4  -4.641  -4.977  -0.492
   40    HE1  TYR   4           1HE      TYR   4  -2.354  -2.748   3.317
   41    HE2  TYR   4           2HE      TYR   4  -5.705  -4.916   1.816
   42    HH   TYR   4           HH       TYR   4  -5.628  -3.662   3.798
   43    H    VAL   5           H        VAL   5  -1.425  -4.018  -3.826
   44    HA   VAL   5           HA       VAL   5   1.391  -3.352  -3.856
   45    HB   VAL   5           HB       VAL   5   0.998  -5.743  -4.738
   46   HG11  VAL   5          1HG1      VAL   5  -0.172  -4.095  -6.996
   47   HG12  VAL   5          2HG1      VAL   5   0.445  -5.751  -7.212
   48   HG13  VAL   5          3HG1      VAL   5  -0.924  -5.447  -6.115
   49   HG21  VAL   5          3HG2      VAL   5   2.377  -4.348  -6.915
   50   HG22  VAL   5          1HG2      VAL   5   2.869  -3.781  -5.301
   51   HG23  VAL   5          2HG2      VAL   5   3.002  -5.506  -5.717
   52    H    CYS   6           H        CYS   6   1.902  -1.819  -5.619
   53    HA   CYS   6           HA       CYS   6  -0.367  -0.117  -6.066
   54    HB2  CYS   6           1HB      CYS   6   1.492   1.104  -5.455
   55    HB3  CYS   6           2HB      CYS   6   2.595   0.126  -6.404
   56    H    THR   7           H        THR   7  -1.293   0.337  -8.123
   57    HA   THR   7           HA       THR   7  -0.654  -1.650 -10.171
   58    HB   THR   7           HB       THR   7  -2.888  -0.981 -11.051
   59    HG1  THR   7           1HG      THR   7  -3.954   0.656  -9.493
   60   HG21  THR   7          3HG2      THR   7  -3.571  -0.961  -8.157
   61   HG22  THR   7          1HG2      THR   7  -4.080  -2.099  -9.428
   62   HG23  THR   7          2HG2      THR   7  -2.503  -2.304  -8.628
   63    H    VAL   8           H        VAL   8   1.352   0.294  -9.789
   64    HA   VAL   8           HA       VAL   8   1.225   1.524 -12.416
   65    HB   VAL   8           HB       VAL   8   2.106   3.196 -10.087
   66   HG11  VAL   8          1HG1      VAL   8   2.413   4.766 -11.646
   67   HG12  VAL   8          2HG1      VAL   8   2.094   3.520 -12.876
   68   HG13  VAL   8          3HG1      VAL   8   0.765   4.543 -12.280
   69   HG21  VAL   8          3HG2      VAL   8  -0.104   4.187  -9.897
   70   HG22  VAL   8          1HG2      VAL   8  -0.737   3.093 -11.151
   71   HG23  VAL   8          2HG2      VAL   8  -0.203   2.438  -9.584
   72    H    CYS   9           H        CYS   9   3.046   0.801  -9.388
   73    HA   CYS   9           HA       CYS   9   5.363   0.298 -11.106
   74    HB2  CYS   9           1HB      CYS   9   6.855   1.252  -9.572
   75    HB3  CYS   9           2HB      CYS   9   5.570   2.425  -9.787
   76    H    GLY  10           H        GLY  10   3.765  -0.231  -7.885
   77    HA2  GLY  10           1HA      GLY  10   3.261  -2.720  -7.637
   78    HA3  GLY  10           2HA      GLY  10   4.998  -2.909  -7.781
   79    H    TYR  11           H        TYR  11   6.399  -2.255  -6.070
   80    HA   TYR  11           HA       TYR  11   6.815  -2.288  -3.852
   81    HB2  TYR  11           1HB      TYR  11   6.961   0.090  -4.478
   82    HB3  TYR  11           2HB      TYR  11   5.216   0.247  -4.521
   83    HD1  TYR  11           2HD      TYR  11   8.096  -0.268  -2.210
   84    HD2  TYR  11           1HD      TYR  11   4.007   0.929  -2.603
   85    HE1  TYR  11           2HE      TYR  11   8.105   0.578   0.188
   86    HE2  TYR  11           1HE      TYR  11   4.030   1.770  -0.204
   87    HH   TYR  11           HH       TYR  11   6.655   2.468   1.434
   88    H    GLU  12           H        GLU  12   5.667  -4.054  -2.960
   89    HA   GLU  12           HA       GLU  12   2.933  -3.848  -2.374
   90    HB2  GLU  12           1HB      GLU  12   5.134  -5.798  -1.914
   91    HB3  GLU  12           2HB      GLU  12   3.844  -5.863  -0.729
   92    HG2  GLU  12           1HG      GLU  12   2.530  -6.972  -2.203
   93    HG3  GLU  12           2HG      GLU  12   2.593  -5.607  -3.300
   94    HE2  GLU  12           HE       GLU  12   2.530  -7.787  -4.583
   95    H    TYR  13           H        TYR  13   1.879  -3.016  -0.599
   96    HA   TYR  13           HA       TYR  13   3.519  -1.696   1.384
   97    HB2  TYR  13           1HB      TYR  13   1.563  -0.547   0.413
   98    HB3  TYR  13           2HB      TYR  13   0.547  -1.955   0.650
   99    HD1  TYR  13           2HD      TYR  13   2.110   0.945   2.292
  100    HD2  TYR  13           1HD      TYR  13  -0.443  -2.446   2.825
  101    HE1  TYR  13           2HE      TYR  13   1.314   1.885   4.516
  102    HE2  TYR  13           1HE      TYR  13  -1.230  -1.495   5.048
  103    HH   TYR  13           HH       TYR  13  -0.516  -0.004   6.718
  104    H    ASP  14           H        ASP  14   3.458  -2.089   3.640
  105    HA   ASP  14           HA       ASP  14   2.403  -4.731   4.267
  106    HB2  ASP  14           1HB      ASP  14   4.881  -3.260   4.979
  107    HB3  ASP  14           2HB      ASP  14   4.105  -4.011   6.359
  108    HD2  ASP  14           HD       ASP  14   4.183  -6.121   6.515
  109    HA   PRO  15           HA       PRO  15  -0.223  -2.166   6.798
  110    HB2  PRO  15           1HB      PRO  15  -2.143  -4.045   7.298
  111    HB3  PRO  15           2HB      PRO  15  -2.164  -3.005   5.887
  112    HG2  PRO  15           1HG      PRO  15  -1.457  -5.870   6.067
  113    HG3  PRO  15           2HG      PRO  15  -1.893  -4.934   4.652
  114    HD2  PRO  15           1HD      PRO  15   0.744  -5.766   5.413
  115    HD3  PRO  15           2HD      PRO  15   0.320  -4.733   4.063
  116    H    ALA  16           H        ALA  16   1.011  -5.308   7.607
  117    HA   ALA  16           HA       ALA  16   0.440  -5.017  10.383
  118    HB1  ALA  16           1HB      ALA  16   1.436  -7.016   8.557
  119    HB2  ALA  16           2HB      ALA  16   2.544  -6.884   9.944
  120    HB3  ALA  16           3HB      ALA  16   0.818  -7.224  10.213
  121    H    GLU  17           H        GLU  17   2.578  -3.437   8.294
  122    HA   GLU  17           HA       GLU  17   4.503  -3.083  10.454
  123    HB2  GLU  17           1HB      GLU  17   5.263  -3.968   8.146
  124    HB3  GLU  17           2HB      GLU  17   4.938  -2.359   7.532
  125    HG2  GLU  17           1HG      GLU  17   7.228  -2.242   8.097
  126    HG3  GLU  17           2HG      GLU  17   6.453  -1.511   9.488
  127    HE2  GLU  17           HE       GLU  17   7.969  -2.097  10.847
  128    H    GLY  18           H        GLY  18   2.931  -1.281   7.708
  129    HA2  GLY  18           1HA      GLY  18   1.588   0.663   8.438
  130    HA3  GLY  18           2HA      GLY  18   2.953   1.121   9.437
  131    H    ASP  19           H        ASP  19   3.798   2.961   8.525
  132    HA   ASP  19           HA       ASP  19   5.190   2.745   6.136
  133    HB2  ASP  19           1HB      ASP  19   2.557   3.115   5.558
  134    HB3  ASP  19           2HB      ASP  19   3.010   4.790   5.804
  135    HD2  ASP  19           HD       ASP  19   3.068   2.544   3.082
  136    HA   PRO  20           HA       PRO  20   6.590   6.118   8.692
  137    HB2  PRO  20           1HB      PRO  20   9.198   6.096   7.875
  138    HB3  PRO  20           2HB      PRO  20   8.595   5.100   9.186
  139    HG2  PRO  20           1HG      PRO  20   9.303   4.304   6.428
  140    HG3  PRO  20           2HG      PRO  20   9.114   3.295   7.848
  141    HD2  PRO  20           1HD      PRO  20   7.245   3.592   5.692
  142    HD3  PRO  20           2HD      PRO  20   7.008   2.674   7.166
  143    H    ASP  21           H        ASP  21   7.227   5.808   5.269
  144    HA   ASP  21           HA       ASP  21   8.117   8.175   4.588
  145    HB2  ASP  21           1HB      ASP  21   7.059   6.192   3.177
  146    HB3  ASP  21           2HB      ASP  21   5.614   7.183   3.191
  147    HD2  ASP  21           HD       ASP  21   8.517   6.863   1.280
  148    H    ASN  22           H        ASN  22   4.676   7.394   5.443
  149    HA   ASN  22           HA       ASN  22   4.109  10.241   5.418
  150    HB2  ASN  22           1HB      ASN  22   2.380   7.736   5.315
  151    HB3  ASN  22           2HB      ASN  22   1.668   9.272   5.767
  152   HD21  ASN  22          1HD2      ASN  22   3.764   7.781   3.313
  153   HD22  ASN  22          2HD2      ASN  22   3.178   8.672   1.948
  154    H    GLY  23           H        GLY  23   4.358   7.295   7.404
  155    HA2  GLY  23           1HA      GLY  23   4.875   7.459   9.707
  156    HA3  GLY  23           2HA      GLY  23   3.913   8.919   9.821
  157    H    VAL  24           H        VAL  24   3.833   5.363   9.588
  158    HA   VAL  24           HA       VAL  24   1.111   5.465  10.654
  159    HB   VAL  24           HB       VAL  24   2.097   3.888   8.281
  160   HG11  VAL  24          1HG1      VAL  24   0.976   2.301   9.743
  161   HG12  VAL  24          2HG1      VAL  24  -0.409   3.405   9.927
  162   HG13  VAL  24          3HG1      VAL  24  -0.062   2.669   8.344
  163   HG21  VAL  24          3HG2      VAL  24   0.117   6.067   8.755
  164   HG22  VAL  24          1HG2      VAL  24   1.186   5.768   7.363
  165   HG23  VAL  24          2HG2      VAL  24  -0.309   4.821   7.557
  166    H    LYS  25           H        LYS  25   0.526   3.421  11.808
  167    HA   LYS  25           HA       LYS  25   2.941   2.326  13.040
  168    HB2  LYS  25           1HB      LYS  25   1.651   1.919  14.972
  169    HB3  LYS  25           2HB      LYS  25   1.197   3.522  14.428
  170    HG2  LYS  25           1HG      LYS  25  -0.608   1.926  13.041
  171    HG3  LYS  25           2HG      LYS  25  -0.425   1.035  14.538
  172    HD2  LYS  25           1HD      LYS  25  -0.828   4.026  14.690
  173    HD3  LYS  25           2HD      LYS  25  -2.212   3.018  14.315
  174    HE2  LYS  25           1HE      LYS  25  -2.425   2.449  16.499
  175    HE3  LYS  25           2HE      LYS  25  -0.807   1.775  16.505
  176    HZ1  LYS  25           2HZ      LYS  25  -0.805   4.651  16.586
  177    HZ3  LYS  25           1HZ      LYS  25  -0.020   3.600  17.551
  178    HA   PRO  26           HA       PRO  26   2.154  -1.593  11.415
  179    HB2  PRO  26           1HB      PRO  26   3.015  -3.283  13.382
  180    HB3  PRO  26           2HB      PRO  26   4.103  -2.457  12.284
  181    HG2  PRO  26           1HG      PRO  26   3.541  -1.870  15.126
  182    HG3  PRO  26           2HG      PRO  26   4.900  -1.355  14.146
  183    HD2  PRO  26           1HD      PRO  26   2.637   0.233  14.914
  184    HD3  PRO  26           2HD      PRO  26   3.937   0.711  13.840
  185    H    GLY  27           H        GLY  27   0.669  -3.239  11.100
  186    HA2  GLY  27           1HA      GLY  27  -1.060  -4.602  11.792
  187    HA3  GLY  27           2HA      GLY  27  -1.166  -3.735  13.311
  188    H    THR  28           H        THR  28  -0.863  -1.536  10.689
  189    HA   THR  28           HA       THR  28  -3.695  -0.883  10.923
  190    HB   THR  28           HB       THR  28  -1.357   0.599   9.609
  191    HG1  THR  28           1HG      THR  28  -2.739   0.928  12.173
  192   HG21  THR  28          3HG2      THR  28  -4.240   1.274  10.261
  193   HG22  THR  28          1HG2      THR  28  -3.002   2.544  10.414
  194   HG23  THR  28          2HG2      THR  28  -3.273   1.749   8.844
  195    H    SER  29           H        SER  29  -5.011  -0.407   9.036
  196    HA   SER  29           HA       SER  29  -4.266  -2.222   6.889
  197    HB2  SER  29           1HB      SER  29  -6.351  -2.995   7.399
  198    HB3  SER  29           2HB      SER  29  -6.799  -1.525   8.240
  199    HG   SER  29           HG       SER  29  -6.612  -1.582   5.365
  200    H    PHE  30           H        PHE  30  -4.472  -1.529   4.659
  201    HA   PHE  30           HA       PHE  30  -3.548   0.939   4.060
  202    HB2  PHE  30           1HB      PHE  30  -3.993  -1.236   2.645
  203    HB3  PHE  30           2HB      PHE  30  -5.615  -0.618   2.408
  204    HD1  PHE  30           2HD      PHE  30  -6.012   1.330   1.000
  205    HD2  PHE  30           1HD      PHE  30  -2.089  -0.188   1.558
  206    HE1  PHE  30           2HE      PHE  30  -5.212   2.676  -0.962
  207    HE2  PHE  30           1HE      PHE  30  -1.289   1.157  -0.404
  208    HZ   PHE  30           HZ       PHE  30  -2.861   2.573  -1.641
  209    H    ASP  31           H        ASP  31  -7.033  -0.099   3.983
  210    HA   ASP  31           HA       ASP  31  -8.161   2.150   3.114
  211    HB2  ASP  31           1HB      ASP  31  -9.585   0.312   3.615
  212    HB3  ASP  31           2HB      ASP  31  -8.988   0.174   5.257
  213    HD2  ASP  31           HD       ASP  31 -10.622   3.381   4.155
  214    H    ASP  32           H        ASP  32  -6.706   1.485   6.315
  215    HA   ASP  32           HA       ASP  32  -7.809   3.634   7.674
  216    HB2  ASP  32           1HB      ASP  32  -6.472   1.589   8.559
  217    HB3  ASP  32           2HB      ASP  32  -5.026   2.485   8.139
  218    HD2  ASP  32           HD       ASP  32  -7.261   3.902  11.161
  219    H    LEU  33           H        LEU  33  -4.800   3.172   5.720
  220    HA   LEU  33           HA       LEU  33  -3.371   5.375   6.228
  221    HB2  LEU  33           1HB      LEU  33  -3.989   4.183   3.522
  222    HB3  LEU  33           2HB      LEU  33  -2.691   5.318   3.837
  223    HG   LEU  33           HG       LEU  33  -2.956   2.547   5.038
  224   HD11  LEU  33          1HD1      LEU  33  -1.940   1.779   3.225
  225   HD12  LEU  33          2HD1      LEU  33  -1.964   3.410   2.512
  226   HD13  LEU  33          3HD1      LEU  33  -0.578   2.892   3.502
  227   HD21  LEU  33          3HD2      LEU  33  -0.412   3.232   5.556
  228   HD22  LEU  33          1HD2      LEU  33  -1.172   4.838   5.658
  229   HD23  LEU  33          2HD2      LEU  33  -1.753   3.512   6.693
  230    HA   PRO  34           HA       PRO  34  -5.746   8.832   5.210
  231    HB2  PRO  34           1HB      PRO  34  -3.807  10.708   4.773
  232    HB3  PRO  34           2HB      PRO  34  -4.337  10.233   6.375
  233    HG2  PRO  34           1HG      PRO  34  -1.841   9.518   4.961
  234    HG3  PRO  34           2HG      PRO  34  -2.200   9.419   6.673
  235    HD2  PRO  34           1HD      PRO  34  -2.123   7.242   4.807
  236    HD3  PRO  34           2HD      PRO  34  -2.594   7.161   6.493
  237    H    ALA  35           H        ALA  35  -5.937  10.765   3.565
  238    HA   ALA  35           HA       ALA  35  -6.165   9.429   1.053
  239    HB1  ALA  35           1HB      ALA  35  -7.861  10.926   1.125
  240    HB2  ALA  35           2HB      ALA  35  -7.035  11.939   2.334
  241    HB3  ALA  35           3HB      ALA  35  -6.644  12.117   0.606
  242    H    ASP  36           H        ASP  36  -4.346  12.376   2.175
  243    HA   ASP  36           HA       ASP  36  -2.960  12.882  -0.042
  244    HB2  ASP  36           1HB      ASP  36  -1.230  13.871   1.393
  245    HB3  ASP  36           2HB      ASP  36  -2.812  14.174   2.084
  246    HD2  ASP  36           HD       ASP  36  -0.118  12.025   4.049
  247    H    TRP  37           H        TRP  37  -2.677  10.111   2.126
  248    HA   TRP  37           HA       TRP  37  -0.056   9.329   1.652
  249    HB2  TRP  37           1HB      TRP  37  -1.540   8.420   3.398
  250    HB3  TRP  37           2HB      TRP  37  -2.484   7.603   2.168
  251    HD1  TRP  37           HD       TRP  37   0.511   7.064   4.339
  252    HE1  TRP  37           1HE      TRP  37   1.795   4.826   3.785
  253    HE3  TRP  37           3HE      TRP  37  -1.867   6.173  -0.067
  254    HZ2  TRP  37           2HZ      TRP  37   1.674   2.976   1.616
  255    HZ3  TRP  37           3HZ      TRP  37  -1.225   4.129  -1.340
  256    HH2  TRP  37           HH       TRP  37   0.480   2.558  -0.565
  257    H    VAL  38           H        VAL  38   0.921   8.087   0.008
  258    HA   VAL  38           HA       VAL  38  -0.680   6.937  -2.063
  259    HB   VAL  38           HB       VAL  38   0.460   8.316  -3.849
  260   HG11  VAL  38          1HG1      VAL  38  -1.964   8.516  -2.979
  261   HG12  VAL  38          2HG1      VAL  38  -1.402  10.000  -2.172
  262   HG13  VAL  38          3HG1      VAL  38  -1.303   9.858  -3.944
  263   HG21  VAL  38          3HG2      VAL  38   1.115  10.632  -3.176
  264   HG22  VAL  38          1HG2      VAL  38   1.011  10.124  -1.473
  265   HG23  VAL  38          2HG2      VAL  38   2.206   9.370  -2.556
  266    H    CYS  39           H        CYS  39   0.668   5.666  -3.573
  267    HA   CYS  39           HA       CYS  39   2.488   4.121  -2.398
  268    HB2  CYS  39           1HB      CYS  39   1.694   3.480  -4.504
  269    HB3  CYS  39           2HB      CYS  39   2.220   4.966  -5.270
  270    HA   PRO  40           HA       PRO  40   5.678   7.156  -1.785
  271    HB2  PRO  40           1HB      PRO  40   6.964   5.857   0.247
  272    HB3  PRO  40           2HB      PRO  40   5.637   6.971   0.510
  273    HG2  PRO  40           1HG      PRO  40   5.635   4.018   0.650
  274    HG3  PRO  40           2HG      PRO  40   4.470   5.149   1.309
  275    HD2  PRO  40           1HD      PRO  40   4.164   3.552  -1.054
  276    HD3  PRO  40           2HD      PRO  40   3.050   4.767  -0.459
  277    H    VAL  41           H        VAL  41   5.827   5.719  -4.055
  278    HA   VAL  41           HA       VAL  41   8.675   5.135  -4.036
  279    HB   VAL  41           HB       VAL  41   6.559   3.202  -5.003
  280   HG11  VAL  41          1HG1      VAL  41   8.259   2.971  -6.581
  281   HG12  VAL  41          2HG1      VAL  41   9.545   3.310  -5.397
  282   HG13  VAL  41          3HG1      VAL  41   8.690   1.750  -5.359
  283   HG21  VAL  41          3HG2      VAL  41   7.993   1.726  -3.325
  284   HG22  VAL  41          1HG2      VAL  41   8.325   3.312  -2.588
  285   HG23  VAL  41          2HG2      VAL  41   6.647   2.742  -2.755
  286    H    CYS  42           H        CYS  42   5.681   5.024  -6.103
  287    HA   CYS  42           HA       CYS  42   7.231   6.459  -8.126
  288    HB2  CYS  42           1HB      CYS  42   5.975   5.473  -9.781
  289    HB3  CYS  42           2HB      CYS  42   6.151   4.178  -8.613
  290    H    GLY  43           H        GLY  43   4.612   6.578  -5.805
  291    HA2  GLY  43           1HA      GLY  43   3.758   8.668  -5.111
  292    HA3  GLY  43           2HA      GLY  43   3.932   9.286  -6.741
  293    H    ALA  44           H        ALA  44   2.836   6.137  -7.113
  294    HA   ALA  44           HA       ALA  44   0.420   6.773  -8.184
  295    HB1  ALA  44           1HB      ALA  44   1.313   4.623  -8.590
  296    HB2  ALA  44           2HB      ALA  44   1.495   4.272  -6.854
  297    HB3  ALA  44           3HB      ALA  44  -0.126   4.312  -7.589
  298    HA   PRO  45           HA       PRO  45  -2.114   7.736  -4.804
  299    HB2  PRO  45           1HB      PRO  45  -4.570   7.571  -5.993
  300    HB3  PRO  45           2HB      PRO  45  -3.528   8.973  -6.135
  301    HG2  PRO  45           1HG      PRO  45  -4.094   6.874  -8.138
  302    HG3  PRO  45           2HG      PRO  45  -3.419   8.472  -8.384
  303    HD2  PRO  45           1HD      PRO  45  -1.987   5.987  -8.373
  304    HD3  PRO  45           2HD      PRO  45  -1.298   7.593  -8.503
  305    H    LYS  46           H        LYS  46  -3.354   6.907  -3.107
  306    HA   LYS  46           HA       LYS  46  -3.056   4.201  -2.724
  307    HB2  LYS  46           1HB      LYS  46  -4.283   4.496  -0.757
  308    HB3  LYS  46           2HB      LYS  46  -3.556   6.064  -1.043
  309    HG2  LYS  46           1HG      LYS  46  -5.653   6.909  -2.034
  310    HG3  LYS  46           2HG      LYS  46  -6.387   5.322  -1.917
  311    HD2  LYS  46           1HD      LYS  46  -5.278   6.523   0.613
  312    HD3  LYS  46           2HD      LYS  46  -6.754   7.218  -0.027
  313    HE2  LYS  46           1HE      LYS  46  -6.382   4.226   0.465
  314    HE3  LYS  46           2HE      LYS  46  -7.097   5.314   1.637
  315    HZ1  LYS  46           2HZ      LYS  46  -8.277   4.233  -0.740
  316    HZ3  LYS  46           1HZ      LYS  46  -8.470   5.848  -0.668
  317    H    SER  47           H        SER  47  -5.311   5.920  -4.743
  318    HA   SER  47           HA       SER  47  -7.313   3.927  -4.673
  319    HB2  SER  47           1HB      SER  47  -8.342   5.193  -6.487
  320    HB3  SER  47           2HB      SER  47  -7.746   6.313  -5.278
  321    HG   SER  47           HG       SER  47  -6.477   7.197  -6.750
  322    H    GLU  48           H        GLU  48  -4.176   4.108  -6.026
  323    HA   GLU  48           HA       GLU  48  -4.904   2.329  -8.204
  324    HB2  GLU  48           1HB      GLU  48  -2.525   4.108  -7.645
  325    HB3  GLU  48           2HB      GLU  48  -2.336   2.747  -8.733
  326    HG2  GLU  48           1HG      GLU  48  -4.773   4.006  -9.505
  327    HG3  GLU  48           2HG      GLU  48  -3.643   5.313  -9.215
  328    HE2  GLU  48           HE       GLU  48  -3.040   5.820 -11.083
  329    H    PHE  49           H        PHE  49  -4.990   1.453  -5.403
  330    HA   PHE  49           HA       PHE  49  -2.837  -0.538  -5.529
  331    HB2  PHE  49           1HB      PHE  49  -3.706   1.415  -3.465
  332    HB3  PHE  49           2HB      PHE  49  -3.727  -0.221  -2.837
  333    HD1  PHE  49           2HD      PHE  49  -1.543  -1.624  -3.325
  334    HD2  PHE  49           1HD      PHE  49  -1.733   2.615  -3.363
  335    HE1  PHE  49           2HE      PHE  49   0.935  -1.509  -2.943
  336    HE2  PHE  49           1HE      PHE  49   0.745   2.730  -2.981
  337    HZ   PHE  49           HZ       PHE  49   2.050   0.666  -2.775
  338    H    GLU  50           H        GLU  50  -3.449  -2.673  -5.253
  339    HA   GLU  50           HA       GLU  50  -6.059  -3.187  -4.163
  340    HB2  GLU  50           1HB      GLU  50  -6.803  -3.036  -6.390
  341    HB3  GLU  50           2HB      GLU  50  -5.312  -3.680  -7.047
  342    HG2  GLU  50           1HG      GLU  50  -5.899  -5.903  -6.600
  343    HG3  GLU  50           2HG      GLU  50  -6.919  -5.477  -5.240
  344    HE2  GLU  50           HE       GLU  50  -8.325  -6.857  -6.336
  345    H    ALA  51           H        ALA  51  -6.239  -5.300  -3.260
  346    HA   ALA  51           HA       ALA  51  -3.811  -6.481  -2.512
  347    HB1  ALA  51           1HB      ALA  51  -6.612  -7.669  -2.434
  348    HB2  ALA  51           2HB      ALA  51  -5.226  -8.113  -1.409
  349    HB3  ALA  51           3HB      ALA  51  -5.980  -6.510  -1.240
  350    H    ALA  52           H        ALA  52  -2.480  -7.798  -3.643
  351    HA   ALA  52           HA       ALA  52  -3.585  -9.825  -5.339
  352    HB1  ALA  52           1HB      ALA  52  -1.955  -7.552  -6.545
  353    HB2  ALA  52           2HB      ALA  52  -2.426  -9.048  -7.387
  354    HB3  ALA  52           3HB      ALA  52  -3.673  -7.892  -6.860
  Start of MODEL    5
    1    H1   MET   1           H        MET   1  -6.197 -11.518  -0.263
    2    HA   MET   1           HA       MET   1  -5.809 -12.390   2.440
    3    HB2  MET   1           1HB      MET   1  -4.005 -13.115   0.133
    4    HB3  MET   1           2HB      MET   1  -3.202 -12.602   1.604
    5    HG2  MET   1           1HG      MET   1  -4.441 -14.335   2.904
    6    HG3  MET   1           2HG      MET   1  -5.294 -14.829   1.455
    7    HE1  MET   1           3HE      MET   1  -4.264 -16.740   2.985
    8    HE2  MET   1           1HE      MET   1  -3.072 -17.757   2.141
    9    HE3  MET   1           2HE      MET   1  -2.542 -16.647   3.428
   10    H    LYS   2           H        LYS   2  -3.725 -11.150   3.357
   11    HA   LYS   2           HA       LYS   2  -4.202  -8.395   2.747
   12    HB2  LYS   2           1HB      LYS   2  -2.738  -9.953   4.824
   13    HB3  LYS   2           2HB      LYS   2  -2.183  -8.319   4.520
   14    HG2  LYS   2           1HG      LYS   2  -5.109  -9.019   5.040
   15    HG3  LYS   2           2HG      LYS   2  -3.998  -8.541   6.308
   16    HD2  LYS   2           1HD      LYS   2  -4.291  -6.352   5.799
   17    HD3  LYS   2           2HD      LYS   2  -3.764  -6.630   4.151
   18    HE2  LYS   2           1HE      LYS   2  -6.525  -7.591   4.731
   19    HE3  LYS   2           2HE      LYS   2  -6.321  -5.857   4.875
   20    HZ1  LYS   2           2HZ      LYS   2  -5.010  -6.425   2.565
   21    HZ3  LYS   2           1HZ      LYS   2  -6.544  -5.883   2.639
   22    H    LYS   3           H        LYS   3  -1.703  -7.192   3.023
   23    HA   LYS   3           HA       LYS   3   0.112  -6.614   1.904
   24    HB2  LYS   3           1HB      LYS   3   0.127  -9.492   0.946
   25    HB3  LYS   3           2HB      LYS   3   1.429  -8.348   0.692
   26    HG2  LYS   3           1HG      LYS   3   0.427  -8.664   3.511
   27    HG3  LYS   3           2HG      LYS   3   1.338 -10.002   2.839
   28    HD2  LYS   3           1HD      LYS   3   2.342  -7.123   2.743
   29    HD3  LYS   3           2HD      LYS   3   2.703  -8.202   4.076
   30    HE2  LYS   3           1HE      LYS   3   3.968  -9.690   2.694
   31    HE3  LYS   3           2HE      LYS   3   3.274  -9.055   1.216
   32    HZ1  LYS   3           2HZ      LYS   3   5.549  -8.108   2.633
   33    HZ3  LYS   3           1HZ      LYS   3   4.481  -6.893   2.445
   34    H    TYR   4           H        TYR   4  -0.148  -5.104   0.358
   35    HA   TYR   4           HA       TYR   4  -1.597  -5.933  -2.067
   36    HB2  TYR   4           1HB      TYR   4  -1.282  -3.041  -1.329
   37    HB3  TYR   4           2HB      TYR   4  -2.727  -3.874  -1.868
   38    HD1  TYR   4           2HD      TYR   4  -0.556  -3.319   1.111
   39    HD2  TYR   4           1HD      TYR   4  -4.398  -4.534  -0.326
   40    HE1  TYR   4           2HE      TYR   4  -1.456  -3.310   3.489
   41    HE2  TYR   4           1HE      TYR   4  -5.285  -4.521   2.056
   42    HH   TYR   4           HH       TYR   4  -3.533  -3.111   4.624
   43    H    VAL   5           H        VAL   5  -1.058  -3.815  -3.730
   44    HA   VAL   5           HA       VAL   5   1.793  -3.340  -3.709
   45    HB   VAL   5           HB       VAL   5   0.422  -4.950  -5.870
   46   HG11  VAL   5          1HG1      VAL   5   1.969  -4.289  -7.334
   47   HG12  VAL   5          2HG1      VAL   5   2.535  -3.093  -6.143
   48   HG13  VAL   5          3HG1      VAL   5   3.278  -4.709  -6.203
   49   HG21  VAL   5          3HG2      VAL   5   0.991  -6.437  -4.136
   50   HG22  VAL   5          1HG2      VAL   5   2.342  -6.557  -5.289
   51   HG23  VAL   5          2HG2      VAL   5   2.526  -5.600  -3.800
   52    H    CYS   6           H        CYS   6   2.364  -1.503  -4.946
   53    HA   CYS   6           HA       CYS   6   0.640   0.521  -5.102
   54    HB2  CYS   6           1HB      CYS   6   2.853   1.075  -5.447
   55    HB3  CYS   6           2HB      CYS   6   3.088  -0.139  -6.689
   56    H    THR   7           H        THR   7   1.274  -1.989  -7.632
   57    HA   THR   7           HA       THR   7   0.023  -2.723  -9.321
   58    HB   THR   7           HB       THR   7  -2.217  -0.984  -8.164
   59    HG1  THR   7           1HG      THR   7  -1.487  -2.378  -6.511
   60   HG21  THR   7          3HG2      THR   7  -3.310  -1.942  -9.963
   61   HG22  THR   7          1HG2      THR   7  -2.034  -3.160 -10.204
   62   HG23  THR   7          2HG2      THR   7  -3.279  -3.409  -8.955
   63    H    VAL   8           H        VAL   8   1.693  -0.241  -9.394
   64    HA   VAL   8           HA       VAL   8   0.626   0.699 -11.932
   65    HB   VAL   8           HB       VAL   8   1.641   2.693  -9.931
   66   HG11  VAL   8          1HG1      VAL   8  -0.470   3.514 -11.765
   67   HG12  VAL   8          2HG1      VAL   8   1.154   4.196 -11.515
   68   HG13  VAL   8          3HG1      VAL   8   0.926   2.825 -12.626
   69   HG21  VAL   8          3HG2      VAL   8  -1.153   1.555 -10.119
   70   HG22  VAL   8          1HG2      VAL   8  -0.136   1.795  -8.678
   71   HG23  VAL   8          2HG2      VAL   8  -0.846   3.200  -9.510
   72    H    CYS   9           H        CYS   9   3.282   0.726  -9.480
   73    HA   CYS   9           HA       CYS   9   5.136   0.644 -11.749
   74    HB2  CYS   9           1HB      CYS   9   6.657   2.027 -10.689
   75    HB3  CYS   9           2HB      CYS   9   5.113   2.798 -10.382
   76    H    GLY  10           H        GLY  10   4.563  -0.140  -8.247
   77    HA2  GLY  10           1HA      GLY  10   4.731  -2.649  -7.915
   78    HA3  GLY  10           2HA      GLY  10   6.355  -2.467  -8.546
   79    H    TYR  11           H        TYR  11   4.351  -2.308  -5.742
   80    HA   TYR  11           HA       TYR  11   6.583  -1.928  -4.050
   81    HB2  TYR  11           1HB      TYR  11   5.982   0.440  -4.942
   82    HB3  TYR  11           2HB      TYR  11   4.407   0.249  -4.197
   83    HD1  TYR  11           2HD      TYR  11   7.991  -0.217  -3.147
   84    HD2  TYR  11           1HD      TYR  11   4.136   1.379  -2.199
   85    HE1  TYR  11           2HE      TYR  11   8.905   0.713  -0.964
   86    HE2  TYR  11           1HE      TYR  11   5.063   2.303  -0.019
   87    HH   TYR  11           HH       TYR  11   7.275   3.005   0.840
   88    H    GLU  12           H        GLU  12   6.001  -3.636  -2.763
   89    HA   GLU  12           HA       GLU  12   3.248  -3.978  -2.086
   90    HB2  GLU  12           1HB      GLU  12   4.023  -6.016  -0.937
   91    HB3  GLU  12           2HB      GLU  12   4.692  -5.930  -2.554
   92    HG2  GLU  12           1HG      GLU  12   6.578  -4.558  -0.964
   93    HG3  GLU  12           2HG      GLU  12   6.082  -5.908   0.038
   94    HE2  GLU  12           HE       GLU  12   8.170  -7.798  -1.133
   95    H    TYR  13           H        TYR  13   2.264  -2.970  -0.393
   96    HA   TYR  13           HA       TYR  13   3.969  -1.762   1.638
   97    HB2  TYR  13           1HB      TYR  13   2.276  -0.309   0.675
   98    HB3  TYR  13           2HB      TYR  13   1.091  -1.599   0.617
   99    HD1  TYR  13           2HD      TYR  13   3.033   0.438   3.094
  100    HD2  TYR  13           1HD      TYR  13  -0.579  -1.691   2.245
  101    HE1  TYR  13           2HE      TYR  13   2.031   1.252   5.284
  102    HE2  TYR  13           1HE      TYR  13  -1.569  -0.871   4.438
  103    HH   TYR  13           HH       TYR  13  -0.240  -0.047   6.816
  104    H    ASP  14           H        ASP  14   4.061  -2.434   3.749
  105    HA   ASP  14           HA       ASP  14   2.564  -4.838   4.323
  106    HB2  ASP  14           1HB      ASP  14   5.119  -3.623   5.198
  107    HB3  ASP  14           2HB      ASP  14   4.191  -4.275   6.533
  108    HD2  ASP  14           HD       ASP  14   5.331  -6.349   6.858
  109    HA   PRO  15           HA       PRO  15  -0.002  -2.142   6.758
  110    HB2  PRO  15           1HB      PRO  15  -2.012  -3.929   7.244
  111    HB3  PRO  15           2HB      PRO  15  -1.947  -2.927   5.807
  112    HG2  PRO  15           1HG      PRO  15  -1.363  -5.812   6.083
  113    HG3  PRO  15           2HG      PRO  15  -1.717  -4.897   4.630
  114    HD2  PRO  15           1HD      PRO  15   0.859  -5.814   5.497
  115    HD3  PRO  15           2HD      PRO  15   0.520  -4.802   4.108
  116    H    ALA  16           H        ALA  16   1.047  -5.322   7.690
  117    HA   ALA  16           HA       ALA  16   0.412  -4.928  10.435
  118    HB1  ALA  16           1HB      ALA  16   1.764  -7.007  10.709
  119    HB2  ALA  16           2HB      ALA  16   0.530  -7.157   9.435
  120    HB3  ALA  16           3HB      ALA  16   2.235  -6.898   8.996
  121    H    GLU  17           H        GLU  17   2.767  -3.611   8.338
  122    HA   GLU  17           HA       GLU  17   4.602  -3.239  10.567
  123    HB2  GLU  17           1HB      GLU  17   5.553  -4.247   8.493
  124    HB3  GLU  17           2HB      GLU  17   5.059  -2.836   7.577
  125    HG2  GLU  17           1HG      GLU  17   7.367  -2.471   8.110
  126    HG3  GLU  17           2HG      GLU  17   6.470  -1.421   9.190
  127    HE2  GLU  17           HE       GLU  17   7.981  -1.451  10.663
  128    H    GLY  18           H        GLY  18   3.207  -1.451   7.718
  129    HA2  GLY  18           1HA      GLY  18   1.955   0.578   8.271
  130    HA3  GLY  18           2HA      GLY  18   3.234   0.987   9.397
  131    H    ASP  19           H        ASP  19   4.166   2.818   8.526
  132    HA   ASP  19           HA       ASP  19   5.882   2.538   6.394
  133    HB2  ASP  19           1HB      ASP  19   3.364   2.747   5.375
  134    HB3  ASP  19           2HB      ASP  19   3.721   4.453   5.559
  135    HD2  ASP  19           HD       ASP  19   4.134   3.871   2.446
  136    HA   PRO  20           HA       PRO  20   6.848   6.166   8.741
  137    HB2  PRO  20           1HB      PRO  20   9.425   6.482   7.890
  138    HB3  PRO  20           2HB      PRO  20   8.975   5.420   9.209
  139    HG2  PRO  20           1HG      PRO  20   9.744   4.716   6.443
  140    HG3  PRO  20           2HG      PRO  20   9.707   3.693   7.866
  141    HD2  PRO  20           1HD      PRO  20   7.788   3.739   5.735
  142    HD3  PRO  20           2HD      PRO  20   7.691   2.802   7.212
  143    H    ASP  21           H        ASP  21   7.449   5.928   5.309
  144    HA   ASP  21           HA       ASP  21   8.009   8.417   4.641
  145    HB2  ASP  21           1HB      ASP  21   7.202   6.249   3.258
  146    HB3  ASP  21           2HB      ASP  21   5.700   7.148   3.169
  147    HD2  ASP  21           HD       ASP  21   5.638   8.863   1.904
  148    H    ASN  22           H        ASN  22   4.673   7.106   5.289
  149    HA   ASN  22           HA       ASN  22   3.761   9.863   5.481
  150    HB2  ASN  22           1HB      ASN  22   2.405   7.247   4.754
  151    HB3  ASN  22           2HB      ASN  22   1.430   8.540   5.423
  152   HD21  ASN  22          1HD2      ASN  22   3.882   7.865   2.947
  153   HD22  ASN  22          2HD2      ASN  22   3.288   8.954   1.738
  154    H    GLY  23           H        GLY  23   5.267   8.480   7.606
  155    HA2  GLY  23           1HA      GLY  23   5.114   7.737   9.750
  156    HA3  GLY  23           2HA      GLY  23   4.058   9.128   9.891
  157    H    VAL  24           H        VAL  24   4.237   5.601   9.592
  158    HA   VAL  24           HA       VAL  24   1.427   5.491  10.403
  159    HB   VAL  24           HB       VAL  24   2.761   4.079   8.111
  160   HG11  VAL  24          1HG1      VAL  24   0.200   3.162   9.460
  161   HG12  VAL  24          2HG1      VAL  24   0.974   2.447   8.026
  162   HG13  VAL  24          3HG1      VAL  24   1.777   2.350   9.612
  163   HG21  VAL  24          3HG2      VAL  24   0.607   4.687   6.982
  164   HG22  VAL  24          1HG2      VAL  24   0.138   5.566   8.457
  165   HG23  VAL  24          2HG2      VAL  24   1.564   6.085   7.527
  166    H    LYS  25           H        LYS  25   0.893   3.446  11.552
  167    HA   LYS  25           HA       LYS  25   3.298   2.421  12.887
  168    HB2  LYS  25           1HB      LYS  25   1.928   2.056  14.839
  169    HB3  LYS  25           2HB      LYS  25   1.771   3.723  14.323
  170    HG2  LYS  25           1HG      LYS  25  -0.316   2.830  12.953
  171    HG3  LYS  25           2HG      LYS  25  -0.234   1.465  14.048
  172    HD2  LYS  25           1HD      LYS  25  -0.892   2.711  15.886
  173    HD3  LYS  25           2HD      LYS  25  -0.061   4.156  15.344
  174    HE2  LYS  25           1HE      LYS  25  -1.823   4.618  13.689
  175    HE3  LYS  25           2HE      LYS  25  -2.611   3.093  14.040
  176    HZ1  LYS  25           2HZ      LYS  25  -3.192   5.425  15.277
  177    HZ3  LYS  25           1HZ      LYS  25  -2.207   4.738  16.378
  178    HA   PRO  26           HA       PRO  26   2.319  -1.538  11.480
  179    HB2  PRO  26           1HB      PRO  26   3.198  -3.156  13.500
  180    HB3  PRO  26           2HB      PRO  26   4.270  -2.426  12.321
  181    HG2  PRO  26           1HG      PRO  26   3.838  -1.676  15.148
  182    HG3  PRO  26           2HG      PRO  26   5.174  -1.260  14.093
  183    HD2  PRO  26           1HD      PRO  26   2.998   0.444  14.860
  184    HD3  PRO  26           2HD      PRO  26   4.271   0.820  13.716
  185    H    GLY  27           H        GLY  27   0.803  -3.199  11.343
  186    HA2  GLY  27           1HA      GLY  27  -0.937  -4.458  12.192
  187    HA3  GLY  27           2HA      GLY  27  -0.988  -3.459  13.630
  188    H    THR  28           H        THR  28  -0.693  -1.443  10.893
  189    HA   THR  28           HA       THR  28  -3.500  -0.717  11.112
  190    HB   THR  28           HB       THR  28  -1.100   0.543   9.680
  191    HG1  THR  28           1HG      THR  28  -1.540   2.015  11.627
  192   HG21  THR  28          3HG2      THR  28  -3.038   1.512   8.642
  193   HG22  THR  28          1HG2      THR  28  -3.976   1.442  10.153
  194   HG23  THR  28          2HG2      THR  28  -2.657   2.623   9.979
  195    H    SER  29           H        SER  29  -4.518   0.045   8.907
  196    HA   SER  29           HA       SER  29  -3.942  -2.043   6.959
  197    HB2  SER  29           1HB      SER  29  -5.935  -2.937   7.655
  198    HB3  SER  29           2HB      SER  29  -6.479  -1.436   8.379
  199    HG   SER  29           HG       SER  29  -6.589  -2.209   5.598
  200    H    PHE  30           H        PHE  30  -4.490  -1.451   4.709
  201    HA   PHE  30           HA       PHE  30  -3.871   1.234   4.156
  202    HB2  PHE  30           1HB      PHE  30  -3.631  -1.084   2.835
  203    HB3  PHE  30           2HB      PHE  30  -5.261  -0.748   2.285
  204    HD1  PHE  30           1HD      PHE  30  -5.704   1.169   0.810
  205    HD2  PHE  30           2HD      PHE  30  -1.755   0.180   2.007
  206    HE1  PHE  30           1HE      PHE  30  -4.786   2.608  -1.030
  207    HE2  PHE  30           2HE      PHE  30  -0.836   1.620   0.167
  208    HZ   PHE  30           HZ       PHE  30  -2.363   2.817  -1.329
  209    H    ASP  31           H        ASP  31  -6.885  -0.471   4.761
  210    HA   ASP  31           HA       ASP  31  -8.508   1.307   3.304
  211    HB2  ASP  31           1HB      ASP  31  -9.025  -1.099   4.163
  212    HB3  ASP  31           2HB      ASP  31  -9.355  -0.352   5.714
  213    HD2  ASP  31           HD       ASP  31 -12.296  -0.245   5.286
  214    H    ASP  32           H        ASP  32  -6.701   1.527   6.218
  215    HA   ASP  32           HA       ASP  32  -8.539   3.490   7.323
  216    HB2  ASP  32           1HB      ASP  32  -6.827   1.458   8.470
  217    HB3  ASP  32           2HB      ASP  32  -6.262   3.019   9.029
  218    HD2  ASP  32           HD       ASP  32  -8.873   4.082  10.515
  219    H    LEU  33           H        LEU  33  -5.853   3.176   5.309
  220    HA   LEU  33           HA       LEU  33  -4.059   5.071   6.284
  221    HB2  LEU  33           1HB      LEU  33  -4.642   3.812   3.644
  222    HB3  LEU  33           2HB      LEU  33  -3.605   5.225   3.678
  223    HG   LEU  33           HG       LEU  33  -3.111   2.714   5.301
  224   HD11  LEU  33          1HD1      LEU  33  -2.990   2.734   2.627
  225   HD12  LEU  33          2HD1      LEU  33  -1.378   3.399   2.985
  226   HD13  LEU  33          3HD1      LEU  33  -1.853   1.815   3.643
  227   HD21  LEU  33          3HD2      LEU  33  -1.445   5.191   4.805
  228   HD22  LEU  33          1HD2      LEU  33  -2.073   4.583   6.355
  229   HD23  LEU  33          2HD2      LEU  33  -0.803   3.681   5.494
  230    HA   PRO  34           HA       PRO  34  -5.915   8.856   5.360
  231    HB2  PRO  34           1HB      PRO  34  -3.829  10.440   4.581
  232    HB3  PRO  34           2HB      PRO  34  -4.168  10.058   6.257
  233    HG2  PRO  34           1HG      PRO  34  -2.038   8.991   4.508
  234    HG3  PRO  34           2HG      PRO  34  -2.141   8.958   6.257
  235    HD2  PRO  34           1HD      PRO  34  -2.646   6.775   4.467
  236    HD3  PRO  34           2HD      PRO  34  -2.861   6.775   6.206
  237    H    ALA  35           H        ALA  35  -6.437  10.613   3.772
  238    HA   ALA  35           HA       ALA  35  -6.710   9.273   1.217
  239    HB1  ALA  35           1HB      ALA  35  -8.726  10.251   1.607
  240    HB2  ALA  35           2HB      ALA  35  -8.039  11.458   2.720
  241    HB3  ALA  35           3HB      ALA  35  -7.935  11.709   0.961
  242    H    ASP  36           H        ASP  36  -4.118  10.552   2.485
  243    HA   ASP  36           HA       ASP  36  -3.523  12.119   0.100
  244    HB2  ASP  36           1HB      ASP  36  -3.494  13.017   2.761
  245    HB3  ASP  36           2HB      ASP  36  -1.810  12.643   2.453
  246    HD2  ASP  36           HD       ASP  36  -2.809  16.112   1.440
  247    H    TRP  37           H        TRP  37  -3.155   9.187   1.465
  248    HA   TRP  37           HA       TRP  37  -0.277   8.963   1.408
  249    HB2  TRP  37           1HB      TRP  37  -1.710   7.779   3.066
  250    HB3  TRP  37           2HB      TRP  37  -2.386   6.827   1.759
  251    HD1  TRP  37           HD       TRP  37   0.558   6.892   4.096
  252    HE1  TRP  37           1HE      TRP  37   2.268   4.937   3.631
  253    HE3  TRP  37           3HE      TRP  37  -1.431   5.509  -0.375
  254    HZ2  TRP  37           2HZ      TRP  37   2.590   3.073   1.494
  255    HZ3  TRP  37           3HZ      TRP  37  -0.358   3.612  -1.586
  256    HH2  TRP  37           HH       TRP  37   1.584   2.407  -0.721
  257    H    VAL  38           H        VAL  38   0.923   8.102  -0.294
  258    HA   VAL  38           HA       VAL  38  -0.470   6.792  -2.459
  259    HB   VAL  38           HB       VAL  38   0.368   8.313  -4.159
  260   HG11  VAL  38          1HG1      VAL  38  -1.898   8.656  -3.288
  261   HG12  VAL  38          2HG1      VAL  38  -1.261   9.743  -2.031
  262   HG13  VAL  38          3HG1      VAL  38  -1.149  10.204  -3.746
  263   HG21  VAL  38          3HG2      VAL  38   2.263   9.389  -3.446
  264   HG22  VAL  38          1HG2      VAL  38   1.069  10.676  -3.153
  265   HG23  VAL  38          2HG2      VAL  38   1.630   9.659  -1.804
  266    H    CYS  39           H        CYS  39   0.928   5.463  -3.700
  267    HA   CYS  39           HA       CYS  39   2.923   4.215  -2.505
  268    HB2  CYS  39           1HB      CYS  39   2.196   3.347  -4.541
  269    HB3  CYS  39           2HB      CYS  39   2.504   4.836  -5.412
  270    HA   PRO  40           HA       PRO  40   5.816   7.567  -2.136
  271    HB2  PRO  40           1HB      PRO  40   7.265   6.510  -0.074
  272    HB3  PRO  40           2HB      PRO  40   5.840   7.501   0.166
  273    HG2  PRO  40           1HG      PRO  40   6.132   4.573   0.456
  274    HG3  PRO  40           2HG      PRO  40   4.874   5.619   1.085
  275    HD2  PRO  40           1HD      PRO  40   4.680   3.876  -1.185
  276    HD3  PRO  40           2HD      PRO  40   3.464   5.007  -0.624
  277    H    VAL  41           H        VAL  41   6.035   5.934  -4.308
  278    HA   VAL  41           HA       VAL  41   8.938   5.622  -4.315
  279    HB   VAL  41           HB       VAL  41   7.075   3.540  -5.454
  280   HG11  VAL  41          1HG1      VAL  41   9.162   3.443  -6.553
  281   HG12  VAL  41          2HG1      VAL  41  10.066   3.728  -5.046
  282   HG13  VAL  41          3HG1      VAL  41   9.238   2.174  -5.306
  283   HG21  VAL  41          3HG2      VAL  41   8.054   3.902  -2.681
  284   HG22  VAL  41          1HG2      VAL  41   6.640   3.012  -3.297
  285   HG23  VAL  41          2HG2      VAL  41   8.257   2.271  -3.364
  286    H    CYS  42           H        CYS  42   5.872   5.466  -6.256
  287    HA   CYS  42           HA       CYS  42   7.343   6.865  -8.368
  288    HB2  CYS  42           1HB      CYS  42   6.040   5.833  -9.982
  289    HB3  CYS  42           2HB      CYS  42   6.386   4.552  -8.837
  290    H    GLY  43           H        GLY  43   4.320   6.616  -6.417
  291    HA2  GLY  43           1HA      GLY  43   3.522   8.795  -5.590
  292    HA3  GLY  43           2HA      GLY  43   3.659   9.383  -7.236
  293    H    ALA  44           H        ALA  44   2.686   6.037  -6.919
  294    HA   ALA  44           HA       ALA  44   0.263   6.476  -8.240
  295    HB1  ALA  44           1HB      ALA  44  -0.082   4.113  -7.901
  296    HB2  ALA  44           2HB      ALA  44   1.658   4.366  -8.179
  297    HB3  ALA  44           3HB      ALA  44   1.051   4.089  -6.529
  298    HA   PRO  45           HA       PRO  45  -2.282   7.609  -4.919
  299    HB2  PRO  45           1HB      PRO  45  -4.729   7.311  -6.099
  300    HB3  PRO  45           2HB      PRO  45  -3.723   8.729  -6.322
  301    HG2  PRO  45           1HG      PRO  45  -4.229   6.501  -8.199
  302    HG3  PRO  45           2HG      PRO  45  -3.594   8.099  -8.537
  303    HD2  PRO  45           1HD      PRO  45  -2.099   5.656  -8.378
  304    HD3  PRO  45           2HD      PRO  45  -1.451   7.269  -8.601
  305    H    LYS  46           H        LYS  46  -3.305   6.809  -3.118
  306    HA   LYS  46           HA       LYS  46  -3.044   4.096  -2.710
  307    HB2  LYS  46           1HB      LYS  46  -4.158   4.457  -0.649
  308    HB3  LYS  46           2HB      LYS  46  -3.245   5.914  -0.984
  309    HG2  LYS  46           1HG      LYS  46  -5.207   7.015  -0.603
  310    HG3  LYS  46           2HG      LYS  46  -5.647   6.504  -2.220
  311    HD2  LYS  46           1HD      LYS  46  -7.433   5.489  -1.228
  312    HD3  LYS  46           2HD      LYS  46  -6.293   4.246  -0.753
  313    HE2  LYS  46           1HE      LYS  46  -6.287   6.597   1.059
  314    HE3  LYS  46           2HE      LYS  46  -7.833   5.775   0.996
  315    HZ1  LYS  46           2HZ      LYS  46  -5.590   4.943   2.387
  316    HZ3  LYS  46           1HZ      LYS  46  -5.727   3.875   1.165
  317    H    SER  47           H        SER  47  -5.390   5.841  -4.571
  318    HA   SER  47           HA       SER  47  -7.465   3.941  -4.240
  319    HB2  SER  47           1HB      SER  47  -7.016   6.459  -5.709
  320    HB3  SER  47           2HB      SER  47  -7.963   5.310  -6.631
  321    HG   SER  47           HG       SER  47  -8.575   6.606  -4.168
  322    H    GLU  48           H        GLU  48  -4.550   4.220  -6.157
  323    HA   GLU  48           HA       GLU  48  -5.540   2.293  -8.075
  324    HB2  GLU  48           1HB      GLU  48  -3.037   4.010  -7.926
  325    HB3  GLU  48           2HB      GLU  48  -3.183   2.709  -9.091
  326    HG2  GLU  48           1HG      GLU  48  -5.207   3.729 -10.057
  327    HG3  GLU  48           2HG      GLU  48  -5.223   4.964  -8.814
  328    HE2  GLU  48           HE       GLU  48  -4.138   6.688 -11.320
  329    H    PHE  49           H        PHE  49  -5.052   1.658  -5.168
  330    HA   PHE  49           HA       PHE  49  -2.849  -0.250  -5.501
  331    HB2  PHE  49           1HB      PHE  49  -3.978   1.479  -3.320
  332    HB3  PHE  49           2HB      PHE  49  -3.576  -0.144  -2.795
  333    HD1  PHE  49           2HD      PHE  49  -2.188   2.937  -4.282
  334    HD2  PHE  49           1HD      PHE  49  -1.315  -0.811  -2.493
  335    HE1  PHE  49           2HE      PHE  49   0.219   3.608  -4.051
  336    HE2  PHE  49           1HE      PHE  49   1.092  -0.140  -2.262
  337    HZ   PHE  49           HZ       PHE  49   1.831   2.061  -3.043
  338    H    GLU  50           H        GLU  50  -3.228  -2.441  -5.279
  339    HA   GLU  50           HA       GLU  50  -5.906  -3.167  -4.397
  340    HB2  GLU  50           1HB      GLU  50  -6.235  -4.659  -6.208
  341    HB3  GLU  50           2HB      GLU  50  -5.567  -3.223  -6.958
  342    HG2  GLU  50           1HG      GLU  50  -3.274  -4.275  -6.854
  343    HG3  GLU  50           2HG      GLU  50  -3.994  -5.727  -6.188
  344    HE2  GLU  50           HE       GLU  50  -4.047  -7.169  -8.549
  345    H    ALA  51           H        ALA  51  -6.066  -5.286  -3.376
  346    HA   ALA  51           HA       ALA  51  -3.574  -6.024  -2.108
  347    HB1  ALA  51           1HB      ALA  51  -5.822  -7.678  -1.377
  348    HB2  ALA  51           2HB      ALA  51  -4.963  -6.463  -0.400
  349    HB3  ALA  51           3HB      ALA  51  -6.338  -5.975  -1.420
  350    H    ALA  52           H        ALA  52  -2.233  -7.404  -3.159
  351    HA   ALA  52           HA       ALA  52  -3.486  -9.732  -4.426
  352    HB1  ALA  52           1HB      ALA  52  -2.132  -9.511  -6.368
  353    HB2  ALA  52           2HB      ALA  52  -2.785  -7.882  -6.070
  354    HB3  ALA  52           3HB      ALA  52  -1.109  -8.266  -5.611
  Start of MODEL    6
    1    H1   MET   1           H        MET   1  -6.729 -13.953   3.561
    2    HA   MET   1           HA       MET   1  -4.342 -13.299   2.272
    3    HB2  MET   1           1HB      MET   1  -7.313 -12.978   1.679
    4    HB3  MET   1           2HB      MET   1  -6.142 -12.275   0.582
    5    HG2  MET   1           1HG      MET   1  -5.059 -14.770   0.831
    6    HG3  MET   1           2HG      MET   1  -6.740 -15.166   1.125
    7    HE1  MET   1           3HE      MET   1  -7.533 -16.294  -0.356
    8    HE2  MET   1           1HE      MET   1  -8.227 -15.653  -1.864
    9    HE3  MET   1           2HE      MET   1  -6.686 -16.543  -1.902
   10    H    LYS   2           H        LYS   2  -3.200 -11.403   2.157
   11    HA   LYS   2           HA       LYS   2  -4.541  -8.890   2.397
   12    HB2  LYS   2           1HB      LYS   2  -3.301 -10.109   4.758
   13    HB3  LYS   2           2HB      LYS   2  -2.642  -8.529   4.384
   14    HG2  LYS   2           1HG      LYS   2  -5.610  -9.189   4.699
   15    HG3  LYS   2           2HG      LYS   2  -4.621  -8.348   5.878
   16    HD2  LYS   2           1HD      LYS   2  -5.270  -6.423   4.853
   17    HD3  LYS   2           2HD      LYS   2  -4.170  -6.861   3.561
   18    HE2  LYS   2           1HE      LYS   2  -5.927  -7.050   2.141
   19    HE3  LYS   2           2HE      LYS   2  -6.559  -8.367   3.108
   20    HZ1  LYS   2           2HZ      LYS   2  -7.087  -5.494   3.654
   21    HZ3  LYS   2           1HZ      LYS   2  -7.713  -6.739   4.495
   22    H    LYS   3           H        LYS   3  -2.258  -7.301   2.953
   23    HA   LYS   3           HA       LYS   3  -0.431  -6.480   2.020
   24    HB2  LYS   3           1HB      LYS   3   0.078  -9.306   1.045
   25    HB3  LYS   3           2HB      LYS   3   1.234  -7.991   0.988
   26    HG2  LYS   3           1HG      LYS   3  -0.094  -8.755   3.611
   27    HG3  LYS   3           2HG      LYS   3   1.294  -9.652   3.027
   28    HD2  LYS   3           1HD      LYS   3   1.747  -6.755   2.832
   29    HD3  LYS   3           2HD      LYS   3   1.337  -7.221   4.471
   30    HE2  LYS   3           1HE      LYS   3   3.304  -8.366   4.778
   31    HE3  LYS   3           2HE      LYS   3   3.262  -9.072   3.175
   32    HZ1  LYS   3           2HZ      LYS   3   5.057  -7.570   3.135
   33    HZ3  LYS   3           1HZ      LYS   3   4.258  -6.390   3.924
   34    H    TYR   4           H        TYR   4  -0.580  -5.038   0.393
   35    HA   TYR   4           HA       TYR   4  -1.852  -5.982  -2.087
   36    HB2  TYR   4           1HB      TYR   4  -1.553  -3.065  -1.378
   37    HB3  TYR   4           2HB      TYR   4  -2.941  -3.876  -2.075
   38    HD1  TYR   4           2HD      TYR   4  -1.114  -3.324   1.124
   39    HD2  TYR   4           1HD      TYR   4  -4.775  -4.541  -0.725
   40    HE1  TYR   4           2HE      TYR   4  -2.273  -3.301   3.387
   41    HE2  TYR   4           1HE      TYR   4  -5.921  -4.514   1.544
   42    HH   TYR   4           HH       TYR   4  -5.329  -4.706   3.859
   43    H    VAL   5           H        VAL   5  -1.227  -3.916  -3.796
   44    HA   VAL   5           HA       VAL   5   1.575  -3.332  -3.652
   45    HB   VAL   5           HB       VAL   5   0.491  -5.374  -5.590
   46   HG11  VAL   5          1HG1      VAL   5   2.615  -5.244  -6.800
   47   HG12  VAL   5          2HG1      VAL   5   1.764  -3.681  -6.850
   48   HG13  VAL   5          3HG1      VAL   5   3.146  -3.907  -5.752
   49   HG21  VAL   5          3HG2      VAL   5   2.699  -5.368  -3.519
   50   HG22  VAL   5          1HG2      VAL   5   1.268  -6.423  -3.614
   51   HG23  VAL   5          2HG2      VAL   5   2.584  -6.600  -4.799
   52    H    CYS   6           H        CYS   6   2.238  -1.919  -5.502
   53    HA   CYS   6           HA       CYS   6  -0.005  -0.249  -6.198
   54    HB2  CYS   6           1HB      CYS   6   1.787   1.010  -5.447
   55    HB3  CYS   6           2HB      CYS   6   2.975   0.035  -6.289
   56    H    THR   7           H        THR   7  -0.790   0.036  -8.325
   57    HA   THR   7           HA       THR   7  -0.148  -2.078 -10.165
   58    HB   THR   7           HB       THR   7  -2.030  -1.067 -11.434
   59    HG1  THR   7           1HG      THR   7  -2.187   0.901  -9.317
   60   HG21  THR   7          3HG2      THR   7  -3.660  -0.665  -9.343
   61   HG22  THR   7          1HG2      THR   7  -3.078  -2.304  -9.724
   62   HG23  THR   7          2HG2      THR   7  -2.298  -1.360  -8.432
   63    H    VAL   8           H        VAL   8   0.608   1.386  -9.784
   64    HA   VAL   8           HA       VAL   8   1.574   1.751 -12.397
   65    HB   VAL   8           HB       VAL   8   2.384   3.179  -9.859
   66   HG11  VAL   8          1HG1      VAL   8   2.668   5.117 -11.419
   67   HG12  VAL   8          2HG1      VAL   8   3.803   3.778 -11.712
   68   HG13  VAL   8          3HG1      VAL   8   2.397   4.003 -12.780
   69   HG21  VAL   8          3HG2      VAL   8  -0.082   3.446 -11.585
   70   HG22  VAL   8          1HG2      VAL   8   0.034   3.274  -9.817
   71   HG23  VAL   8          2HG2      VAL   8   0.524   4.797 -10.597
   72    H    CYS   9           H        CYS   9   3.706   1.966  -9.500
   73    HA   CYS   9           HA       CYS   9   5.774   0.686 -11.053
   74    HB2  CYS   9           1HB      CYS   9   7.301   1.517  -9.509
   75    HB3  CYS   9           2HB      CYS   9   6.103   2.786  -9.674
   76    H    GLY  10           H        GLY  10   4.113   0.324  -7.834
   77    HA2  GLY  10           1HA      GLY  10   3.289  -1.748  -7.082
   78    HA3  GLY  10           2HA      GLY  10   4.477  -2.586  -8.060
   79    H    TYR  11           H        TYR  11   3.797  -1.064  -4.977
   80    HA   TYR  11           HA       TYR  11   6.445  -1.925  -4.049
   81    HB2  TYR  11           1HB      TYR  11   6.525   0.511  -4.206
   82    HB3  TYR  11           2HB      TYR  11   4.854   0.670  -3.703
   83    HD1  TYR  11           2HD      TYR  11   8.016  -0.813  -2.303
   84    HD2  TYR  11           1HD      TYR  11   4.531   1.566  -1.596
   85    HE1  TYR  11           2HE      TYR  11   8.770  -0.407   0.091
   86    HE2  TYR  11           1HE      TYR  11   5.297   1.964   0.796
   87    HH   TYR  11           HH       TYR  11   8.388   1.397   1.815
   88    H    GLU  12           H        GLU  12   5.358  -3.890  -3.325
   89    HA   GLU  12           HA       GLU  12   3.138  -4.204  -1.974
   90    HB2  GLU  12           1HB      GLU  12   4.745  -6.020  -2.410
   91    HB3  GLU  12           2HB      GLU  12   5.845  -5.381  -1.204
   92    HG2  GLU  12           1HG      GLU  12   4.158  -5.770   0.579
   93    HG3  GLU  12           2HG      GLU  12   3.004  -6.338  -0.611
   94    HE2  GLU  12           HE       GLU  12   6.407  -7.067  -0.055
   95    H    TYR  13           H        TYR  13   2.134  -3.230  -0.272
   96    HA   TYR  13           HA       TYR  13   3.753  -1.634   1.532
   97    HB2  TYR  13           1HB      TYR  13   1.709  -0.636   0.633
   98    HB3  TYR  13           2HB      TYR  13   0.801  -2.117   0.866
   99    HD1  TYR  13           2HD      TYR  13   2.524   0.596   2.781
  100    HD2  TYR  13           1HD      TYR  13  -0.539  -2.391   2.773
  101    HE1  TYR  13           2HE      TYR  13   1.655   1.471   5.005
  102    HE2  TYR  13           1HE      TYR  13  -1.397  -1.506   4.997
  103    HH   TYR  13           HH       TYR  13  -0.077  -0.121   7.012
  104    H    ASP  14           H        ASP  14   3.817  -1.896   3.804
  105    HA   ASP  14           HA       ASP  14   3.025  -4.573   4.621
  106    HB2  ASP  14           1HB      ASP  14   4.639  -3.522   6.645
  107    HB3  ASP  14           2HB      ASP  14   5.162  -4.628   5.390
  108    HD2  ASP  14           HD       ASP  14   7.406  -3.371   5.388
  109    HA   PRO  15           HA       PRO  15   0.132  -2.129   6.990
  110    HB2  PRO  15           1HB      PRO  15  -1.640  -4.141   7.520
  111    HB3  PRO  15           2HB      PRO  15  -1.720  -3.149   6.078
  112    HG2  PRO  15           1HG      PRO  15  -0.789  -5.941   6.359
  113    HG3  PRO  15           2HG      PRO  15  -1.274  -5.086   4.908
  114    HD2  PRO  15           1HD      PRO  15   1.408  -5.680   5.735
  115    HD3  PRO  15           2HD      PRO  15   0.926  -4.726   4.346
  116    H    ALA  16           H        ALA  16   1.553  -5.163   7.924
  117    HA   ALA  16           HA       ALA  16   0.938  -4.789  10.683
  118    HB1  ALA  16           1HB      ALA  16   1.759  -6.882   9.037
  119    HB2  ALA  16           2HB      ALA  16   3.192  -6.557  10.042
  120    HB3  ALA  16           3HB      ALA  16   1.631  -6.933  10.812
  121    H    GLU  17           H        GLU  17   3.147  -3.350   8.489
  122    HA   GLU  17           HA       GLU  17   5.004  -2.783  10.654
  123    HB2  GLU  17           1HB      GLU  17   5.738  -3.698   8.319
  124    HB3  GLU  17           2HB      GLU  17   5.431  -2.075   7.733
  125    HG2  GLU  17           1HG      GLU  17   7.546  -1.574   8.404
  126    HG3  GLU  17           2HG      GLU  17   6.925  -1.599  10.042
  127    HE2  GLU  17           HE       GLU  17   8.600  -5.008   8.714
  128    H    GLY  18           H        GLY  18   3.320  -1.137   7.877
  129    HA2  GLY  18           1HA      GLY  18   1.920   0.777   8.529
  130    HA3  GLY  18           2HA      GLY  18   3.249   1.313   9.537
  131    H    ASP  19           H        ASP  19   4.031   3.166   8.595
  132    HA   ASP  19           HA       ASP  19   5.479   2.958   6.243
  133    HB2  ASP  19           1HB      ASP  19   2.841   3.181   5.600
  134    HB3  ASP  19           2HB      ASP  19   3.213   4.882   5.796
  135    HD2  ASP  19           HD       ASP  19   5.387   5.423   4.154
  136    HA   PRO  20           HA       PRO  20   6.641   6.470   8.731
  137    HB2  PRO  20           1HB      PRO  20   9.268   6.556   7.981
  138    HB3  PRO  20           2HB      PRO  20   8.681   5.570   9.306
  139    HG2  PRO  20           1HG      PRO  20   9.500   4.731   6.592
  140    HG3  PRO  20           2HG      PRO  20   9.324   3.755   8.037
  141    HD2  PRO  20           1HD      PRO  20   7.501   3.894   5.827
  142    HD3  PRO  20           2HD      PRO  20   7.270   3.009   7.322
  143    H    ASP  21           H        ASP  21   7.358   6.089   5.334
  144    HA   ASP  21           HA       ASP  21   8.163   8.458   4.582
  145    HB2  ASP  21           1HB      ASP  21   7.161   6.398   3.234
  146    HB3  ASP  21           2HB      ASP  21   5.697   7.360   3.204
  147    HD2  ASP  21           HD       ASP  21   8.912   8.687   1.207
  148    H    ASN  22           H        ASN  22   4.765   7.602   5.508
  149    HA   ASN  22           HA       ASN  22   4.116  10.433   5.391
  150    HB2  ASN  22           1HB      ASN  22   2.467   7.881   5.268
  151    HB3  ASN  22           2HB      ASN  22   1.695   9.378   5.752
  152   HD21  ASN  22          1HD2      ASN  22   3.887   8.065   3.277
  153   HD22  ASN  22          2HD2      ASN  22   3.251   8.945   1.927
  154    H    GLY  23           H        GLY  23   4.172   7.452   7.402
  155    HA2  GLY  23           1HA      GLY  23   4.755   7.738   9.733
  156    HA3  GLY  23           2HA      GLY  23   3.679   9.120   9.795
  157    H    VAL  24           H        VAL  24   3.868   5.559   9.554
  158    HA   VAL  24           HA       VAL  24   1.144   5.456  10.606
  159    HB   VAL  24           HB       VAL  24   2.224   3.956   8.219
  160   HG11  VAL  24          1HG1      VAL  24   0.432   2.454   8.279
  161   HG12  VAL  24          2HG1      VAL  24   0.951   2.543   9.979
  162   HG13  VAL  24          3HG1      VAL  24  -0.487   3.442   9.438
  163   HG21  VAL  24          3HG2      VAL  24  -0.391   4.965   7.798
  164   HG22  VAL  24          1HG2      VAL  24   0.551   6.274   8.552
  165   HG23  VAL  24          2HG2      VAL  24   1.131   5.510   7.052
  166    H    LYS  25           H        LYS  25   0.797   3.771  12.097
  167    HA   LYS  25           HA       LYS  25   3.255   2.648  13.131
  168    HB2  LYS  25           1HB      LYS  25   2.044   2.217  15.108
  169    HB3  LYS  25           2HB      LYS  25   1.501   3.788  14.555
  170    HG2  LYS  25           1HG      LYS  25  -0.128   1.681  13.349
  171    HG3  LYS  25           2HG      LYS  25  -0.105   1.501  15.092
  172    HD2  LYS  25           1HD      LYS  25  -0.402   4.301  14.588
  173    HD3  LYS  25           2HD      LYS  25  -1.494   3.489  13.483
  174    HE2  LYS  25           1HE      LYS  25  -2.939   3.064  15.179
  175    HE3  LYS  25           2HE      LYS  25  -1.704   2.163  16.036
  176    HZ1  LYS  25           2HZ      LYS  25  -1.100   4.028  17.253
  177    HZ3  LYS  25           1HZ      LYS  25  -2.693   4.323  17.084
  178    HA   PRO  26           HA       PRO  26   2.593  -1.334  11.608
  179    HB2  PRO  26           1HB      PRO  26   3.544  -2.953  13.594
  180    HB3  PRO  26           2HB      PRO  26   4.585  -2.109  12.466
  181    HG2  PRO  26           1HG      PRO  26   4.039  -1.489  15.304
  182    HG3  PRO  26           2HG      PRO  26   5.364  -0.941  14.296
  183    HD2  PRO  26           1HD      PRO  26   3.054   0.574  15.066
  184    HD3  PRO  26           2HD      PRO  26   4.320   1.080  13.965
  185    H    GLY  27           H        GLY  27   1.121  -2.970  11.303
  186    HA2  GLY  27           1HA      GLY  27  -0.484  -4.449  12.175
  187    HA3  GLY  27           2HA      GLY  27  -0.715  -3.399  13.559
  188    H    THR  28           H        THR  28  -0.490  -1.148  11.210
  189    HA   THR  28           HA       THR  28  -3.332  -0.820  11.053
  190    HB   THR  28           HB       THR  28  -1.000   0.699   9.768
  191    HG1  THR  28           1HG      THR  28  -1.610   2.055  11.750
  192   HG21  THR  28          3HG2      THR  28  -3.446   1.136   8.929
  193   HG22  THR  28          1HG2      THR  28  -3.740   1.769  10.567
  194   HG23  THR  28          2HG2      THR  28  -2.520   2.536   9.522
  195    H    SER  29           H        SER  29  -4.522  -0.479   9.011
  196    HA   SER  29           HA       SER  29  -3.523  -2.377   7.034
  197    HB2  SER  29           1HB      SER  29  -5.794  -2.984   6.541
  198    HB3  SER  29           2HB      SER  29  -5.644  -2.998   8.287
  199    HG   SER  29           HG       SER  29  -6.362  -0.483   7.513
  200    H    PHE  30           H        PHE  30  -3.576  -1.772   4.813
  201    HA   PHE  30           HA       PHE  30  -3.254   0.910   4.247
  202    HB2  PHE  30           1HB      PHE  30  -2.626  -1.289   2.962
  203    HB3  PHE  30           2HB      PHE  30  -4.276  -1.300   2.372
  204    HD1  PHE  30           2HD      PHE  30  -5.049   0.443   0.811
  205    HD2  PHE  30           1HD      PHE  30  -1.006   0.260   2.088
  206    HE1  PHE  30           2HE      PHE  30  -4.382   1.948  -1.084
  207    HE2  PHE  30           1HE      PHE  30  -0.340   1.765   0.194
  208    HZ   PHE  30           HZ       PHE  30  -2.036   2.591  -1.370
  209    H    ASP  31           H        ASP  31  -6.167  -0.865   4.831
  210    HA   ASP  31           HA       ASP  31  -7.795   0.697   3.115
  211    HB2  ASP  31           1HB      ASP  31  -8.196  -1.704   4.111
  212    HB3  ASP  31           2HB      ASP  31  -8.754  -0.861   5.543
  213    HD2  ASP  31           HD       ASP  31 -10.541  -2.005   5.046
  214    H    ASP  32           H        ASP  32  -6.077   1.389   5.909
  215    HA   ASP  32           HA       ASP  32  -8.160   3.168   6.906
  216    HB2  ASP  32           1HB      ASP  32  -6.569   1.315   8.276
  217    HB3  ASP  32           2HB      ASP  32  -5.729   2.826   8.566
  218    HD2  ASP  32           HD       ASP  32  -7.721   4.032  10.796
  219    H    LEU  33           H        LEU  33  -5.182   2.880   5.188
  220    HA   LEU  33           HA       LEU  33  -3.721   5.063   6.021
  221    HB2  LEU  33           1HB      LEU  33  -3.988   3.549   3.457
  222    HB3  LEU  33           2HB      LEU  33  -3.045   5.026   3.481
  223    HG   LEU  33           HG       LEU  33  -2.552   2.680   5.332
  224   HD11  LEU  33          1HD1      LEU  33  -2.229   2.428   2.713
  225   HD12  LEU  33          2HD1      LEU  33  -0.718   3.304   3.060
  226   HD13  LEU  33          3HD1      LEU  33  -1.057   1.758   3.875
  227   HD21  LEU  33          3HD2      LEU  33  -0.424   4.647   4.712
  228   HD22  LEU  33          1HD2      LEU  33  -1.771   5.231   5.720
  229   HD23  LEU  33          2HD2      LEU  33  -0.822   3.815   6.234
  230    HA   PRO  34           HA       PRO  34  -6.007   8.484   4.720
  231    HB2  PRO  34           1HB      PRO  34  -4.055  10.376   4.438
  232    HB3  PRO  34           2HB      PRO  34  -4.728   9.917   5.990
  233    HG2  PRO  34           1HG      PRO  34  -2.104   9.211   4.826
  234    HG3  PRO  34           2HG      PRO  34  -2.620   9.132   6.499
  235    HD2  PRO  34           1HD      PRO  34  -2.348   6.930   4.681
  236    HD3  PRO  34           2HD      PRO  34  -2.974   6.867   6.317
  237    H    ALA  35           H        ALA  35  -6.993   9.337   2.956
  238    HA   ALA  35           HA       ALA  35  -6.458   8.268   0.518
  239    HB1  ALA  35           1HB      ALA  35  -8.474   9.598   1.263
  240    HB2  ALA  35           2HB      ALA  35  -7.517  11.077   1.009
  241    HB3  ALA  35           3HB      ALA  35  -7.882  10.006  -0.365
  242    H    ASP  36           H        ASP  36  -5.105  11.285   1.972
  243    HA   ASP  36           HA       ASP  36  -3.807  12.220  -0.224
  244    HB2  ASP  36           1HB      ASP  36  -3.601  12.496   2.702
  245    HB3  ASP  36           2HB      ASP  36  -2.041  12.690   1.928
  246    HD2  ASP  36           HD       ASP  36  -2.736  15.883   0.969
  247    H    TRP  37           H        TRP  37  -3.010   9.562   2.035
  248    HA   TRP  37           HA       TRP  37  -0.323   9.233   1.522
  249    HB2  TRP  37           1HB      TRP  37  -1.678   8.083   3.263
  250    HB3  TRP  37           2HB      TRP  37  -2.366   7.062   2.016
  251    HD1  TRP  37           HD       TRP  37   0.584   7.232   4.309
  252    HE1  TRP  37           1HE      TRP  37   2.348   5.321   3.861
  253    HE3  TRP  37           3HE      TRP  37  -1.363   5.761  -0.151
  254    HZ2  TRP  37           2HZ      TRP  37   2.722   3.451   1.738
  255    HZ3  TRP  37           3HZ      TRP  37  -0.238   3.885  -1.347
  256    HH2  TRP  37           HH       TRP  37   1.736   2.741  -0.471
  257    H    VAL  38           H        VAL  38   0.864   8.207  -0.125
  258    HA   VAL  38           HA       VAL  38  -0.600   6.892  -2.249
  259    HB   VAL  38           HB       VAL  38   0.514   8.310  -3.967
  260   HG11  VAL  38          1HG1      VAL  38  -1.891   8.615  -2.865
  261   HG12  VAL  38          2HG1      VAL  38  -1.192  10.174  -2.367
  262   HG13  VAL  38          3HG1      VAL  38  -1.270   9.744  -4.092
  263   HG21  VAL  38          3HG2      VAL  38   2.203   9.598  -3.228
  264   HG22  VAL  38          1HG2      VAL  38   0.926  10.739  -2.743
  265   HG23  VAL  38          2HG2      VAL  38   1.599   9.598  -1.554
  266    H    CYS  39           H        CYS  39   0.785   5.548  -3.568
  267    HA   CYS  39           HA       CYS  39   2.634   4.127  -2.297
  268    HB2  CYS  39           1HB      CYS  39   1.888   3.359  -4.381
  269    HB3  CYS  39           2HB      CYS  39   2.394   4.816  -5.214
  270    HA   PRO  40           HA       PRO  40   5.734   7.270  -1.793
  271    HB2  PRO  40           1HB      PRO  40   7.034   6.099   0.306
  272    HB3  PRO  40           2HB      PRO  40   5.673   7.184   0.507
  273    HG2  PRO  40           1HG      PRO  40   5.753   4.242   0.777
  274    HG3  PRO  40           2HG      PRO  40   4.549   5.366   1.374
  275    HD2  PRO  40           1HD      PRO  40   4.315   3.659  -0.919
  276    HD3  PRO  40           2HD      PRO  40   3.161   4.867  -0.389
  277    H    VAL  41           H        VAL  41   6.003   5.886  -4.022
  278    HA   VAL  41           HA       VAL  41   8.845   5.320  -3.927
  279    HB   VAL  41           HB       VAL  41   6.830   3.321  -4.974
  280   HG11  VAL  41          1HG1      VAL  41   8.671   1.922  -5.539
  281   HG12  VAL  41          2HG1      VAL  41   9.041   3.531  -6.205
  282   HG13  VAL  41          3HG1      VAL  41   9.830   2.985  -4.705
  283   HG21  VAL  41          3HG2      VAL  41   7.842   1.861  -3.142
  284   HG22  VAL  41          1HG2      VAL  41   8.509   3.362  -2.456
  285   HG23  VAL  41          2HG2      VAL  41   6.747   3.161  -2.612
  286    H    CYS  42           H        CYS  42   5.824   5.308  -5.942
  287    HA   CYS  42           HA       CYS  42   7.414   6.605  -8.031
  288    HB2  CYS  42           1HB      CYS  42   6.025   5.684  -9.657
  289    HB3  CYS  42           2HB      CYS  42   6.324   4.376  -8.529
  290    H    GLY  43           H        GLY  43   4.441   6.633  -6.018
  291    HA2  GLY  43           1HA      GLY  43   3.712   8.797  -5.228
  292    HA3  GLY  43           2HA      GLY  43   4.015   9.446  -6.827
  293    H    ALA  44           H        ALA  44   2.692   6.189  -6.645
  294    HA   ALA  44           HA       ALA  44   0.355   7.026  -8.040
  295    HB1  ALA  44           1HB      ALA  44  -0.198   4.538  -7.746
  296    HB2  ALA  44           2HB      ALA  44   1.305   4.919  -8.621
  297    HB3  ALA  44           3HB      ALA  44   1.373   4.394  -6.922
  298    HA   PRO  45           HA       PRO  45  -2.161   7.678  -4.572
  299    HB2  PRO  45           1HB      PRO  45  -4.612   7.708  -5.780
  300    HB3  PRO  45           2HB      PRO  45  -3.538   9.093  -5.757
  301    HG2  PRO  45           1HG      PRO  45  -4.139   7.250  -7.989
  302    HG3  PRO  45           2HG      PRO  45  -3.426   8.850  -8.048
  303    HD2  PRO  45           1HD      PRO  45  -2.051   6.347  -8.317
  304    HD3  PRO  45           2HD      PRO  45  -1.325   7.941  -8.259
  305    H    LYS  46           H        LYS  46  -3.025   6.560  -2.902
  306    HA   LYS  46           HA       LYS  46  -2.959   3.841  -2.979
  307    HB2  LYS  46           1HB      LYS  46  -4.037   3.884  -0.880
  308    HB3  LYS  46           2HB      LYS  46  -3.117   5.372  -0.974
  309    HG2  LYS  46           1HG      LYS  46  -5.041   6.477  -0.492
  310    HG3  LYS  46           2HG      LYS  46  -5.588   6.076  -2.108
  311    HD2  LYS  46           1HD      LYS  46  -7.323   5.102  -0.934
  312    HD3  LYS  46           2HD      LYS  46  -6.223   3.737  -0.917
  313    HE2  LYS  46           1HE      LYS  46  -7.011   4.061   1.356
  314    HE3  LYS  46           2HE      LYS  46  -5.328   4.546   1.314
  315    HZ1  LYS  46           2HZ      LYS  46  -6.329   6.335   2.370
  316    HZ3  LYS  46           1HZ      LYS  46  -7.705   6.267   1.502
  317    H    SER  47           H        SER  47  -5.352   6.010  -4.346
  318    HA   SER  47           HA       SER  47  -7.535   4.338  -4.336
  319    HB2  SER  47           1HB      SER  47  -7.123   6.863  -5.152
  320    HB3  SER  47           2HB      SER  47  -7.000   6.097  -6.723
  321    HG   SER  47           HG       SER  47  -9.151   4.985  -5.662
  322    H    GLU  48           H        GLU  48  -4.513   4.160  -6.081
  323    HA   GLU  48           HA       GLU  48  -5.642   2.487  -8.133
  324    HB2  GLU  48           1HB      GLU  48  -2.737   3.270  -7.629
  325    HB3  GLU  48           2HB      GLU  48  -3.354   2.487  -9.070
  326    HG2  GLU  48           1HG      GLU  48  -4.967   4.537  -9.265
  327    HG3  GLU  48           2HG      GLU  48  -3.921   5.310  -8.091
  328    HE2  GLU  48           HE       GLU  48  -3.421   6.736  -9.792
  329    H    PHE  49           H        PHE  49  -3.245   2.272  -5.418
  330    HA   PHE  49           HA       PHE  49  -2.321  -0.189  -5.563
  331    HB2  PHE  49           1HB      PHE  49  -3.210   1.695  -3.463
  332    HB3  PHE  49           2HB      PHE  49  -3.361   0.043  -2.899
  333    HD1  PHE  49           1HD      PHE  49  -1.223  -1.467  -3.368
  334    HD2  PHE  49           2HD      PHE  49  -1.193   2.771  -3.151
  335    HE1  PHE  49           1HE      PHE  49   1.230  -1.512  -2.841
  336    HE2  PHE  49           2HE      PHE  49   1.261   2.726  -2.624
  337    HZ   PHE  49           HZ       PHE  49   2.443   0.585  -2.475
  338    H    GLU  50           H        GLU  50  -2.960  -2.330  -5.388
  339    HA   GLU  50           HA       GLU  50  -5.741  -2.763  -4.663
  340    HB2  GLU  50           1HB      GLU  50  -6.120  -4.231  -6.543
  341    HB3  GLU  50           2HB      GLU  50  -5.487  -2.725  -7.176
  342    HG2  GLU  50           1HG      GLU  50  -3.216  -3.707  -7.335
  343    HG3  GLU  50           2HG      GLU  50  -3.783  -5.196  -6.606
  344    HE2  GLU  50           HE       GLU  50  -5.958  -6.011  -8.964
  345    H    ALA  51           H        ALA  51  -6.185  -5.062  -4.002
  346    HA   ALA  51           HA       ALA  51  -3.843  -6.106  -2.627
  347    HB1  ALA  51           1HB      ALA  51  -5.349  -6.475  -1.005
  348    HB2  ALA  51           2HB      ALA  51  -6.632  -5.826  -2.055
  349    HB3  ALA  51           3HB      ALA  51  -6.256  -7.565  -2.081
  350    H    ALA  52           H        ALA  52  -2.613  -7.533  -3.753
  351    HA   ALA  52           HA       ALA  52  -3.542  -8.891  -6.019
  352    HB1  ALA  52           1HB      ALA  52  -1.382  -9.951  -5.982
  353    HB2  ALA  52           2HB      ALA  52  -1.157  -8.282  -5.406
  354    HB3  ALA  52           3HB      ALA  52  -1.188  -9.629  -4.242
  Start of MODEL    7
    1    H1   MET   1           H        MET   1  -2.838  -9.469   6.466
    2    HA   MET   1           HA       MET   1  -4.021 -12.048   6.841
    3    HB2  MET   1           1HB      MET   1  -6.242 -11.028   5.807
    4    HB3  MET   1           2HB      MET   1  -5.966 -10.868   7.530
    5    HG2  MET   1           1HG      MET   1  -4.663  -8.650   6.198
    6    HG3  MET   1           2HG      MET   1  -6.300  -8.770   5.586
    7    HE1  MET   1           3HE      MET   1  -7.876  -9.807   8.886
    8    HE2  MET   1           1HE      MET   1  -8.644  -8.381   8.148
    9    HE3  MET   1           2HE      MET   1  -8.039  -9.700   7.117
   10    H    LYS   2           H        LYS   2  -3.547  -9.136   4.764
   11    HA   LYS   2           HA       LYS   2  -2.541 -10.774   2.663
   12    HB2  LYS   2           1HB      LYS   2  -4.197 -10.346   0.987
   13    HB3  LYS   2           2HB      LYS   2  -4.990 -11.092   2.361
   14    HG2  LYS   2           1HG      LYS   2  -5.470  -8.633   3.151
   15    HG3  LYS   2           2HG      LYS   2  -5.064  -8.175   1.509
   16    HD2  LYS   2           1HD      LYS   2  -6.819 -10.359   1.184
   17    HD3  LYS   2           2HD      LYS   2  -7.500  -9.472   2.533
   18    HE2  LYS   2           1HE      LYS   2  -6.599  -7.758   0.266
   19    HE3  LYS   2           2HE      LYS   2  -7.915  -8.845  -0.129
   20    HZ1  LYS   2           2HZ      LYS   2  -9.310  -7.561   1.054
   21    HZ3  LYS   2           1HZ      LYS   2  -8.121  -6.470   1.270
   22    H    LYS   3           H        LYS   3  -1.427  -9.511   1.068
   23    HA   LYS   3           HA       LYS   3  -1.176  -6.694   1.866
   24    HB2  LYS   3           1HB      LYS   3   0.827  -8.802   1.407
   25    HB3  LYS   3           2HB      LYS   3   1.165  -7.311   0.552
   26    HG2  LYS   3           1HG      LYS   3   1.997  -6.504   2.506
   27    HG3  LYS   3           2HG      LYS   3   0.344  -6.413   3.078
   28    HD2  LYS   3           1HD      LYS   3   1.685  -9.097   3.256
   29    HD3  LYS   3           2HD      LYS   3   2.262  -7.855   4.351
   30    HE2  LYS   3           1HE      LYS   3  -0.073  -7.475   5.161
   31    HE3  LYS   3           2HE      LYS   3  -0.661  -8.701   4.056
   32    HZ1  LYS   3           2HZ      LYS   3   1.341  -9.965   5.427
   33    HZ3  LYS   3           1HZ      LYS   3  -0.250 -10.130   5.733
   34    H    TYR   4           H        TYR   4  -0.701  -5.164   0.100
   35    HA   TYR   4           HA       TYR   4  -1.767  -6.160  -2.457
   36    HB2  TYR   4           1HB      TYR   4  -1.900  -3.249  -1.767
   37    HB3  TYR   4           2HB      TYR   4  -3.166  -4.269  -2.422
   38    HD1  TYR   4           2HD      TYR   4  -1.387  -3.432   0.752
   39    HD2  TYR   4           1HD      TYR   4  -4.915  -5.053  -1.046
   40    HE1  TYR   4           2HE      TYR   4  -2.528  -3.486   3.023
   41    HE2  TYR   4           1HE      TYR   4  -6.044  -5.103   1.232
   42    HH   TYR   4           HH       TYR   4  -4.246  -4.345   4.151
   43    H    VAL   5           H        VAL   5  -1.256  -4.140  -4.157
   44    HA   VAL   5           HA       VAL   5   1.426  -3.162  -3.767
   45    HB   VAL   5           HB       VAL   5   0.746  -5.260  -5.829
   46   HG11  VAL   5          1HG1      VAL   5   1.977  -3.331  -6.842
   47   HG12  VAL   5          2HG1      VAL   5   3.294  -3.617  -5.679
   48   HG13  VAL   5          3HG1      VAL   5   2.880  -4.864  -6.879
   49   HG21  VAL   5          3HG2      VAL   5   2.702  -6.427  -4.872
   50   HG22  VAL   5          1HG2      VAL   5   2.883  -5.122  -3.675
   51   HG23  VAL   5          2HG2      VAL   5   1.428  -6.147  -3.661
   52    H    CYS   6           H        CYS   6   2.000  -1.543  -5.398
   53    HA   CYS   6           HA       CYS   6  -0.272  -0.056  -6.163
   54    HB2  CYS   6           1HB      CYS   6   1.633   1.167  -5.535
   55    HB3  CYS   6           2HB      CYS   6   2.688   0.259  -6.600
   56    H    THR   7           H        THR   7  -0.608   0.695  -8.509
   57    HA   THR   7           HA       THR   7  -0.539  -1.652 -10.219
   58    HB   THR   7           HB       THR   7  -1.918   0.126 -11.649
   59    HG1  THR   7           1HG      THR   7  -1.846   2.028 -10.513
   60   HG21  THR   7          3HG2      THR   7  -3.384  -1.465 -10.767
   61   HG22  THR   7          1HG2      THR   7  -2.699  -1.331  -9.130
   62   HG23  THR   7          2HG2      THR   7  -3.824  -0.088  -9.728
   63    H    VAL   8           H        VAL   8   0.004   1.831 -11.020
   64    HA   VAL   8           HA       VAL   8   1.454   1.511 -13.237
   65    HB   VAL   8           HB       VAL   8   2.593   3.635 -12.627
   66   HG11  VAL   8          1HG1      VAL   8  -0.285   3.918 -11.815
   67   HG12  VAL   8          2HG1      VAL   8   0.690   4.914 -12.922
   68   HG13  VAL   8          3HG1      VAL   8   0.112   3.313 -13.441
   69   HG21  VAL   8          3HG2      VAL   8   2.016   4.738 -10.503
   70   HG22  VAL   8          1HG2      VAL   8   1.157   3.271  -9.975
   71   HG23  VAL   8          2HG2      VAL   8   2.918   3.227 -10.234
   72    H    CYS   9           H        CYS   9   2.751   1.344  -9.860
   73    HA   CYS   9           HA       CYS   9   5.089   0.009 -11.017
   74    HB2  CYS   9           1HB      CYS   9   6.539   1.177  -9.748
   75    HB3  CYS   9           2HB      CYS   9   5.292   2.399  -9.897
   76    H    GLY  10           H        GLY  10   6.223  -1.214  -8.925
   77    HA2  GLY  10           1HA      GLY  10   4.192  -3.086  -8.044
   78    HA3  GLY  10           2HA      GLY  10   5.930  -3.218  -7.859
   79    H    TYR  11           H        TYR  11   6.831  -2.795  -5.873
   80    HA   TYR  11           HA       TYR  11   6.950  -2.297  -3.715
   81    HB2  TYR  11           1HB      TYR  11   6.950   0.021  -4.538
   82    HB3  TYR  11           2HB      TYR  11   5.235  -0.040  -4.892
   83    HD1  TYR  11           2HD      TYR  11   7.681  -0.035  -2.075
   84    HD2  TYR  11           1HD      TYR  11   3.643   0.674  -3.298
   85    HE1  TYR  11           2HE      TYR  11   7.169   1.001   0.190
   86    HE2  TYR  11           1HE      TYR  11   3.145   1.708  -1.030
   87    HH   TYR  11           HH       TYR  11   5.721   2.200   1.332
   88    H    GLU  12           H        GLU  12   6.022  -3.605  -2.224
   89    HA   GLU  12           HA       GLU  12   3.126  -3.749  -2.238
   90    HB2  GLU  12           1HB      GLU  12   3.399  -5.836  -0.984
   91    HB3  GLU  12           2HB      GLU  12   4.407  -5.874  -2.417
   92    HG2  GLU  12           1HG      GLU  12   6.349  -5.055  -0.961
   93    HG3  GLU  12           2HG      GLU  12   5.315  -5.280   0.436
   94    HE2  GLU  12           HE       GLU  12   6.170  -6.966   1.306
   95    H    TYR  13           H        TYR  13   1.863  -3.159  -0.452
   96    HA   TYR  13           HA       TYR  13   3.255  -1.566   1.536
   97    HB2  TYR  13           1HB      TYR  13   1.229  -0.693   0.394
   98    HB3  TYR  13           2HB      TYR  13   0.353  -2.175   0.718
   99    HD1  TYR  13           2HD      TYR  13   1.706   0.911   2.256
  100    HD2  TYR  13           1HD      TYR  13  -0.770  -2.533   2.813
  101    HE1  TYR  13           2HE      TYR  13   0.762   1.925   4.388
  102    HE2  TYR  13           1HE      TYR  13  -1.705  -1.507   4.944
  103    HH   TYR  13           HH       TYR  13  -0.867   0.167   6.651
  104    H    ASP  14           H        ASP  14   3.474  -2.084   3.686
  105    HA   ASP  14           HA       ASP  14   2.449  -4.709   4.399
  106    HB2  ASP  14           1HB      ASP  14   4.947  -3.284   4.864
  107    HB3  ASP  14           2HB      ASP  14   4.227  -3.703   6.405
  108    HD2  ASP  14           HD       ASP  14   4.672  -6.925   4.134
  109    HA   PRO  15           HA       PRO  15  -0.185  -2.182   6.963
  110    HB2  PRO  15           1HB      PRO  15  -2.055  -4.099   7.510
  111    HB3  PRO  15           2HB      PRO  15  -2.127  -3.066   6.096
  112    HG2  PRO  15           1HG      PRO  15  -1.355  -5.914   6.272
  113    HG3  PRO  15           2HG      PRO  15  -1.840  -4.993   4.862
  114    HD2  PRO  15           1HD      PRO  15   0.829  -5.766   5.573
  115    HD3  PRO  15           2HD      PRO  15   0.356  -4.748   4.227
  116    H    ALA  16           H        ALA  16   1.066  -5.328   7.771
  117    HA   ALA  16           HA       ALA  16   0.580  -4.991  10.557
  118    HB1  ALA  16           1HB      ALA  16   1.404  -7.046   8.754
  119    HB2  ALA  16           2HB      ALA  16   2.673  -6.883   9.991
  120    HB3  ALA  16           3HB      ALA  16   0.990  -7.196  10.478
  121    H    GLU  17           H        GLU  17   2.733  -3.543   8.352
  122    HA   GLU  17           HA       GLU  17   4.688  -3.138  10.475
  123    HB2  GLU  17           1HB      GLU  17   5.285  -4.097   8.078
  124    HB3  GLU  17           2HB      GLU  17   5.189  -2.420   7.580
  125    HG2  GLU  17           1HG      GLU  17   7.513  -3.076   8.228
  126    HG3  GLU  17           2HG      GLU  17   6.897  -1.769   9.219
  127    HE2  GLU  17           HE       GLU  17   7.612  -3.237  11.982
  128    H    GLY  18           H        GLY  18   3.093  -1.419   7.690
  129    HA2  GLY  18           1HA      GLY  18   1.827   0.583   8.242
  130    HA3  GLY  18           2HA      GLY  18   3.104   1.026   9.358
  131    H    ASP  19           H        ASP  19   4.116   2.814   8.531
  132    HA   ASP  19           HA       ASP  19   5.714   2.571   6.299
  133    HB2  ASP  19           1HB      ASP  19   3.181   2.903   5.405
  134    HB3  ASP  19           2HB      ASP  19   3.557   4.589   5.703
  135    HD2  ASP  19           HD       ASP  19   3.816   5.277   3.579
  136    HA   PRO  20           HA       PRO  20   6.973   6.038   8.741
  137    HB2  PRO  20           1HB      PRO  20   9.483   6.338   7.704
  138    HB3  PRO  20           2HB      PRO  20   9.107   5.209   8.990
  139    HG2  PRO  20           1HG      PRO  20   9.632   4.655   6.135
  140    HG3  PRO  20           2HG      PRO  20   9.676   3.550   7.493
  141    HD2  PRO  20           1HD      PRO  20   7.596   3.774   5.532
  142    HD3  PRO  20           2HD      PRO  20   7.589   2.752   6.955
  143    H    ASP  21           H        ASP  21   7.330   6.000   5.263
  144    HA   ASP  21           HA       ASP  21   7.879   8.542   4.748
  145    HB2  ASP  21           1HB      ASP  21   7.079   6.482   3.233
  146    HB3  ASP  21           2HB      ASP  21   5.535   7.308   3.289
  147    HD2  ASP  21           HD       ASP  21   6.321   9.885   1.374
  148    H    ASN  22           H        ASN  22   4.557   7.162   5.346
  149    HA   ASN  22           HA       ASN  22   3.621   9.883   5.746
  150    HB2  ASN  22           1HB      ASN  22   2.244   7.254   5.065
  151    HB3  ASN  22           2HB      ASN  22   1.311   8.585   5.721
  152   HD21  ASN  22          1HD2      ASN  22   3.577   7.681   3.160
  153   HD22  ASN  22          2HD2      ASN  22   3.013   8.786   1.952
  154    H    GLY  23           H        GLY  23   5.258   8.374   7.725
  155    HA2  GLY  23           1HA      GLY  23   5.197   7.509   9.833
  156    HA3  GLY  23           2HA      GLY  23   4.236   8.949  10.103
  157    H    VAL  24           H        VAL  24   4.173   5.434   9.595
  158    HA   VAL  24           HA       VAL  24   1.422   5.446  10.601
  159    HB   VAL  24           HB       VAL  24   2.510   3.858   8.269
  160   HG11  VAL  24          1HG1      VAL  24   0.312   3.292  10.127
  161   HG12  VAL  24          2HG1      VAL  24  -0.202   3.334   8.423
  162   HG13  VAL  24          3HG1      VAL  24   1.106   2.238   8.932
  163   HG21  VAL  24          3HG2      VAL  24   0.068   5.130   7.636
  164   HG22  VAL  24          1HG2      VAL  24   1.061   6.347   8.473
  165   HG23  VAL  24          2HG2      VAL  24   1.695   5.522   7.028
  166    H    LYS  25           H        LYS  25   0.899   3.649  11.954
  167    HA   LYS  25           HA       LYS  25   3.282   2.415  13.076
  168    HB2  LYS  25           1HB      LYS  25   2.012   2.048  15.024
  169    HB3  LYS  25           2HB      LYS  25   1.568   3.651  14.476
  170    HG2  LYS  25           1HG      LYS  25  -0.542   2.916  13.628
  171    HG3  LYS  25           2HG      LYS  25  -0.049   1.234  13.600
  172    HD2  LYS  25           1HD      LYS  25  -0.080   1.100  16.036
  173    HD3  LYS  25           2HD      LYS  25  -0.294   2.833  16.187
  174    HE2  LYS  25           1HE      LYS  25  -2.377   1.644  14.484
  175    HE3  LYS  25           2HE      LYS  25  -2.340   0.889  16.065
  176    HZ1  LYS  25           2HZ      LYS  25  -3.607   2.712  16.558
  177    HZ3  LYS  25           1HZ      LYS  25  -2.976   3.653  15.389
  178    HA   PRO  26           HA       PRO  26   2.397  -1.482  11.453
  179    HB2  PRO  26           1HB      PRO  26   3.272  -3.189  13.399
  180    HB3  PRO  26           2HB      PRO  26   4.350  -2.381  12.279
  181    HG2  PRO  26           1HG      PRO  26   3.860  -1.788  15.133
  182    HG3  PRO  26           2HG      PRO  26   5.205  -1.293  14.124
  183    HD2  PRO  26           1HD      PRO  26   2.986   0.330  14.943
  184    HD3  PRO  26           2HD      PRO  26   4.270   0.788  13.841
  185    H    GLY  27           H        GLY  27   0.915  -3.162  11.204
  186    HA2  GLY  27           1HA      GLY  27  -0.815  -4.494  11.957
  187    HA3  GLY  27           2HA      GLY  27  -0.909  -3.572  13.444
  188    H    THR  28           H        THR  28  -0.605  -1.369  10.877
  189    HA   THR  28           HA       THR  28  -3.401  -0.670  11.097
  190    HB   THR  28           HB       THR  28  -1.024   0.584   9.623
  191    HG1  THR  28           1HG      THR  28  -0.719   1.467  11.643
  192   HG21  THR  28          3HG2      THR  28  -2.525   2.678   9.957
  193   HG22  THR  28          1HG2      THR  28  -3.011   1.561   8.659
  194   HG23  THR  28          2HG2      THR  28  -3.864   1.535  10.221
  195    H    SER  29           H        SER  29  -4.749  -0.202   9.188
  196    HA   SER  29           HA       SER  29  -4.184  -2.211   7.153
  197    HB2  SER  29           1HB      SER  29  -6.484  -2.635   6.968
  198    HB3  SER  29           2HB      SER  29  -6.299  -2.344   8.687
  199    HG   SER  29           HG       SER  29  -8.065  -1.165   7.298
  200    H    PHE  30           H        PHE  30  -4.201  -1.599   4.959
  201    HA   PHE  30           HA       PHE  30  -3.631   1.023   4.334
  202    HB2  PHE  30           1HB      PHE  30  -3.211  -1.149   3.020
  203    HB3  PHE  30           2HB      PHE  30  -4.916  -1.185   2.617
  204    HD1  PHE  30           2HD      PHE  30  -5.842   0.917   1.377
  205    HD2  PHE  30           1HD      PHE  30  -1.722  -0.078   1.596
  206    HE1  PHE  30           2HE      PHE  30  -5.392   2.331  -0.647
  207    HE2  PHE  30           1HE      PHE  30  -1.273   1.336  -0.428
  208    HZ   PHE  30           HZ       PHE  30  -3.114   2.523  -1.526
  209    H    ASP  31           H        ASP  31  -6.741  -0.601   4.751
  210    HA   ASP  31           HA       ASP  31  -8.207   1.235   3.209
  211    HB2  ASP  31           1HB      ASP  31  -8.786  -1.187   4.174
  212    HB3  ASP  31           2HB      ASP  31  -9.381  -0.282   5.551
  213    HD2  ASP  31           HD       ASP  31 -11.478  -0.392   5.335
  214    H    ASP  32           H        ASP  32  -6.448   1.593   6.050
  215    HA   ASP  32           HA       ASP  32  -8.346   3.527   7.123
  216    HB2  ASP  32           1HB      ASP  32  -6.691   1.490   8.359
  217    HB3  ASP  32           2HB      ASP  32  -6.161   3.058   8.935
  218    HD2  ASP  32           HD       ASP  32  -8.906   0.816   9.579
  219    H    LEU  33           H        LEU  33  -5.889   3.381   5.000
  220    HA   LEU  33           HA       LEU  33  -3.985   5.184   6.086
  221    HB2  LEU  33           1HB      LEU  33  -4.526   3.922   3.437
  222    HB3  LEU  33           2HB      LEU  33  -3.479   5.326   3.493
  223    HG   LEU  33           HG       LEU  33  -3.046   2.781   5.082
  224   HD11  LEU  33          1HD1      LEU  33  -0.962   3.021   3.284
  225   HD12  LEU  33          2HD1      LEU  33  -2.350   1.916   3.148
  226   HD13  LEU  33          3HD1      LEU  33  -2.385   3.494   2.327
  227   HD21  LEU  33          3HD2      LEU  33  -1.310   3.744   6.120
  228   HD22  LEU  33          1HD2      LEU  33  -0.792   4.623   4.662
  229   HD23  LEU  33          2HD2      LEU  33  -2.100   5.276   5.677
  230    HA   PRO  34           HA       PRO  34  -5.930   8.935   5.214
  231    HB2  PRO  34           1HB      PRO  34  -3.804  10.618   4.873
  232    HB3  PRO  34           2HB      PRO  34  -4.386  10.116   6.448
  233    HG2  PRO  34           1HG      PRO  34  -1.974   9.220   4.993
  234    HG3  PRO  34           2HG      PRO  34  -2.347   9.068   6.698
  235    HD2  PRO  34           1HD      PRO  34  -2.493   6.997   4.718
  236    HD3  PRO  34           2HD      PRO  34  -2.976   6.877   6.399
  237    H    ALA  35           H        ALA  35  -6.557  10.549   3.665
  238    HA   ALA  35           HA       ALA  35  -6.455   9.452   1.065
  239    HB1  ALA  35           1HB      ALA  35  -7.229  12.291   1.796
  240    HB2  ALA  35           2HB      ALA  35  -7.871  11.267   0.490
  241    HB3  ALA  35           3HB      ALA  35  -8.270  10.900   2.185
  242    H    ASP  36           H        ASP  36  -4.401  11.622   2.914
  243    HA   ASP  36           HA       ASP  36  -3.235  12.778   0.586
  244    HB2  ASP  36           1HB      ASP  36  -3.390  13.497   3.249
  245    HB3  ASP  36           2HB      ASP  36  -1.758  12.864   3.180
  246    HD2  ASP  36           HD       ASP  36  -2.558  16.446   1.840
  247    H    TRP  37           H        TRP  37  -3.199   9.706   1.707
  248    HA   TRP  37           HA       TRP  37  -0.323   9.284   1.677
  249    HB2  TRP  37           1HB      TRP  37  -1.748   8.190   3.374
  250    HB3  TRP  37           2HB      TRP  37  -2.597   7.337   2.101
  251    HD1  TRP  37           HD       TRP  37   0.441   7.025   4.275
  252    HE1  TRP  37           1HE      TRP  37   1.919   4.923   3.673
  253    HE3  TRP  37           3HE      TRP  37  -1.871   6.008  -0.139
  254    HZ2  TRP  37           2HZ      TRP  37   1.954   3.112   1.467
  255    HZ3  TRP  37           3HZ      TRP  37  -1.053   4.055  -1.455
  256    HH2  TRP  37           HH       TRP  37   0.791   2.630  -0.718
  257    H    VAL  38           H        VAL  38   0.720   8.004   0.049
  258    HA   VAL  38           HA       VAL  38  -0.808   6.936  -2.113
  259    HB   VAL  38           HB       VAL  38   0.411   8.402  -3.802
  260   HG11  VAL  38          1HG1      VAL  38  -2.086   8.500  -2.888
  261   HG12  VAL  38          2HG1      VAL  38  -1.548  10.091  -2.297
  262   HG13  VAL  38          3HG1      VAL  38  -1.460   9.709  -4.034
  263   HG21  VAL  38          3HG2      VAL  38   1.998   9.677  -2.767
  264   HG22  VAL  38          1HG2      VAL  38   0.637  10.820  -2.675
  265   HG23  VAL  38          2HG2      VAL  38   1.060   9.825  -1.261
  266    H    CYS  39           H        CYS  39   0.543   5.651  -3.554
  267    HA   CYS  39           HA       CYS  39   2.386   4.139  -2.381
  268    HB2  CYS  39           1HB      CYS  39   1.609   3.475  -4.483
  269    HB3  CYS  39           2HB      CYS  39   2.099   4.971  -5.254
  270    HA   PRO  40           HA       PRO  40   5.525   7.235  -1.781
  271    HB2  PRO  40           1HB      PRO  40   6.794   5.999   0.300
  272    HB3  PRO  40           2HB      PRO  40   5.453   7.106   0.517
  273    HG2  PRO  40           1HG      PRO  40   5.476   4.157   0.729
  274    HG3  PRO  40           2HG      PRO  40   4.291   5.293   1.343
  275    HD2  PRO  40           1HD      PRO  40   4.034   3.636  -0.984
  276    HD3  PRO  40           2HD      PRO  40   2.901   4.854  -0.435
  277    H    VAL  41           H        VAL  41   5.735   5.782  -4.019
  278    HA   VAL  41           HA       VAL  41   8.581   5.198  -3.933
  279    HB   VAL  41           HB       VAL  41   6.462   3.253  -4.862
  280   HG11  VAL  41          1HG1      VAL  41   8.153   3.127  -6.512
  281   HG12  VAL  41          2HG1      VAL  41   9.455   3.287  -5.308
  282   HG13  VAL  41          3HG1      VAL  41   8.493   1.792  -5.385
  283   HG21  VAL  41          3HG2      VAL  41   6.665   2.853  -2.595
  284   HG22  VAL  41          1HG2      VAL  41   7.920   1.772  -3.246
  285   HG23  VAL  41          2HG2      VAL  41   8.375   3.346  -2.548
  286    H    CYS  42           H        CYS  42   5.578   5.225  -5.979
  287    HA   CYS  42           HA       CYS  42   7.186   6.603  -8.004
  288    HB2  CYS  42           1HB      CYS  42   5.999   5.593  -9.690
  289    HB3  CYS  42           2HB      CYS  42   6.143   4.304  -8.512
  290    H    GLY  43           H        GLY  43   4.642   6.775  -5.661
  291    HA2  GLY  43           1HA      GLY  43   3.731   8.845  -5.027
  292    HA3  GLY  43           2HA      GLY  43   3.880   9.427  -6.673
  293    H    ALA  44           H        ALA  44   2.846   6.359  -7.207
  294    HA   ALA  44           HA       ALA  44   0.400   6.930  -8.162
  295    HB1  ALA  44           1HB      ALA  44   0.047   4.371  -7.204
  296    HB2  ALA  44           2HB      ALA  44   0.911   4.788  -8.703
  297    HB3  ALA  44           3HB      ALA  44   1.820   4.525  -7.195
  298    HA   PRO  45           HA       PRO  45  -2.105   7.794  -4.734
  299    HB2  PRO  45           1HB      PRO  45  -4.570   7.625  -5.900
  300    HB3  PRO  45           2HB      PRO  45  -3.548   9.043  -6.022
  301    HG2  PRO  45           1HG      PRO  45  -4.109   6.982  -8.066
  302    HG3  PRO  45           2HG      PRO  45  -3.456   8.594  -8.282
  303    HD2  PRO  45           1HD      PRO  45  -1.993   6.127  -8.342
  304    HD3  PRO  45           2HD      PRO  45  -1.326   7.744  -8.443
  305    H    LYS  46           H        LYS  46  -3.496   6.946  -3.107
  306    HA   LYS  46           HA       LYS  46  -3.088   4.249  -2.704
  307    HB2  LYS  46           1HB      LYS  46  -4.527   4.472  -0.830
  308    HB3  LYS  46           2HB      LYS  46  -3.676   5.994  -0.997
  309    HG2  LYS  46           1HG      LYS  46  -5.724   6.806  -2.379
  310    HG3  LYS  46           2HG      LYS  46  -6.552   5.378  -1.790
  311    HD2  LYS  46           1HD      LYS  46  -5.177   7.301   0.126
  312    HD3  LYS  46           2HD      LYS  46  -6.811   7.594  -0.434
  313    HE2  LYS  46           1HE      LYS  46  -7.172   6.382   1.559
  314    HE3  LYS  46           2HE      LYS  46  -7.302   5.135   0.334
  315    HZ1  LYS  46           2HZ      LYS  46  -5.821   4.271   1.926
  316    HZ3  LYS  46           1HZ      LYS  46  -5.000   5.665   2.111
  317    H    SER  47           H        SER  47  -5.387   5.917  -4.753
  318    HA   SER  47           HA       SER  47  -7.238   3.773  -4.812
  319    HB2  SER  47           1HB      SER  47  -7.029   6.471  -5.866
  320    HB3  SER  47           2HB      SER  47  -7.510   5.386  -7.154
  321    HG   SER  47           HG       SER  47  -9.164   6.420  -5.485
  322    H    GLU  48           H        GLU  48  -4.095   4.099  -5.950
  323    HA   GLU  48           HA       GLU  48  -4.648   2.531  -8.337
  324    HB2  GLU  48           1HB      GLU  48  -2.430   4.386  -7.512
  325    HB3  GLU  48           2HB      GLU  48  -2.018   3.064  -8.586
  326    HG2  GLU  48           1HG      GLU  48  -4.336   3.996  -9.770
  327    HG3  GLU  48           2HG      GLU  48  -3.684   5.481  -9.107
  328    HE2  GLU  48           HE       GLU  48  -0.948   5.627 -11.057
  329    H    PHE  49           H        PHE  49  -4.816   1.468  -5.569
  330    HA   PHE  49           HA       PHE  49  -2.580  -0.431  -5.719
  331    HB2  PHE  49           1HB      PHE  49  -3.830   1.214  -3.567
  332    HB3  PHE  49           2HB      PHE  49  -3.717  -0.477  -3.123
  333    HD1  PHE  49           2HD      PHE  49  -1.404  -1.596  -3.345
  334    HD2  PHE  49           1HD      PHE  49  -1.972   2.609  -3.345
  335    HE1  PHE  49           2HE      PHE  49   1.003  -1.271  -2.713
  336    HE2  PHE  49           1HE      PHE  49   0.435   2.935  -2.713
  337    HZ   PHE  49           HZ       PHE  49   1.894   0.991  -2.405
  338    H    GLU  50           H        GLU  50  -3.080  -2.602  -5.788
  339    HA   GLU  50           HA       GLU  50  -5.810  -3.324  -5.135
  340    HB2  GLU  50           1HB      GLU  50  -6.057  -3.131  -7.477
  341    HB3  GLU  50           2HB      GLU  50  -4.438  -3.718  -7.801
  342    HG2  GLU  50           1HG      GLU  50  -5.029  -5.970  -7.470
  343    HG3  GLU  50           2HG      GLU  50  -6.369  -5.576  -6.411
  344    HE2  GLU  50           HE       GLU  50  -8.253  -6.199  -7.633
  345    H    ALA  51           H        ALA  51  -6.060  -5.557  -4.475
  346    HA   ALA  51           HA       ALA  51  -3.633  -6.628  -3.373
  347    HB1  ALA  51           1HB      ALA  51  -6.571  -7.384  -3.270
  348    HB2  ALA  51           2HB      ALA  51  -5.302  -8.368  -2.504
  349    HB3  ALA  51           3HB      ALA  51  -5.565  -6.689  -1.977
  350    H    ALA  52           H        ALA  52  -2.264  -7.840  -4.576
  351    HA   ALA  52           HA       ALA  52  -3.486  -9.564  -6.622
  352    HB1  ALA  52           1HB      ALA  52  -1.951  -8.828  -8.106
  353    HB2  ALA  52           2HB      ALA  52  -1.647  -7.503  -6.957
  354    HB3  ALA  52           3HB      ALA  52  -0.627  -8.961  -6.923
  Start of MODEL    8
    1    H1   MET   1           H        MET   1  -8.072  -5.660   0.922
    2    HA   MET   1           HA       MET   1  -7.958  -7.625   1.974
    3    HB2  MET   1           1HB      MET   1  -8.300  -9.453   0.294
    4    HB3  MET   1           2HB      MET   1  -9.148  -7.998  -0.192
    5    HG2  MET   1           1HG      MET   1  -6.643  -7.622  -1.357
    6    HG3  MET   1           2HG      MET   1  -6.847  -9.358  -1.485
    7    HE1  MET   1           3HE      MET   1  -8.849 -10.468  -2.135
    8    HE2  MET   1           1HE      MET   1 -10.010  -9.924  -3.370
    9    HE3  MET   1           2HE      MET   1  -8.330 -10.289  -3.828
   10    H    LYS   2           H        LYS   2  -6.005  -7.631   3.209
   11    HA   LYS   2           HA       LYS   2  -4.069  -8.458   3.875
   12    HB2  LYS   2           1HB      LYS   2  -4.611 -10.372   1.606
   13    HB3  LYS   2           2HB      LYS   2  -3.134 -10.470   2.544
   14    HG2  LYS   2           1HG      LYS   2  -4.234 -11.132   4.487
   15    HG3  LYS   2           2HG      LYS   2  -5.692 -10.239   4.101
   16    HD2  LYS   2           1HD      LYS   2  -5.211 -12.346   2.120
   17    HD3  LYS   2           2HD      LYS   2  -5.248 -13.015   3.739
   18    HE2  LYS   2           1HE      LYS   2  -7.392 -11.133   3.631
   19    HE3  LYS   2           2HE      LYS   2  -7.461 -12.019   2.121
   20    HZ1  LYS   2           2HZ      LYS   2  -7.379 -13.268   4.816
   21    HZ3  LYS   2           1HZ      LYS   2  -7.430 -14.097   3.415
   22    H    LYS   3           H        LYS   3  -1.653  -8.981   2.899
   23    HA   LYS   3           HA       LYS   3  -0.526  -6.705   2.194
   24    HB2  LYS   3           1HB      LYS   3   0.203  -9.466   1.182
   25    HB3  LYS   3           2HB      LYS   3   1.244  -8.066   1.028
   26    HG2  LYS   3           1HG      LYS   3   0.118  -8.982   3.710
   27    HG3  LYS   3           2HG      LYS   3   1.648  -9.562   3.084
   28    HD2  LYS   3           1HD      LYS   3   1.736  -6.729   2.797
   29    HD3  LYS   3           2HD      LYS   3   1.041  -7.016   4.380
   30    HE2  LYS   3           1HE      LYS   3   3.227  -8.868   4.047
   31    HE3  LYS   3           2HE      LYS   3   3.799  -7.286   3.559
   32    HZ1  LYS   3           2HZ      LYS   3   3.123  -6.391   5.678
   33    HZ3  LYS   3           1HZ      LYS   3   4.003  -7.725   5.990
   34    H    TYR   4           H        TYR   4  -0.536  -5.239   0.562
   35    HA   TYR   4           HA       TYR   4  -1.787  -6.117  -1.955
   36    HB2  TYR   4           1HB      TYR   4  -1.625  -3.218  -1.166
   37    HB3  TYR   4           2HB      TYR   4  -2.984  -4.082  -1.858
   38    HD1  TYR   4           2HD      TYR   4  -1.126  -3.538   1.329
   39    HD2  TYR   4           1HD      TYR   4  -4.777  -4.813  -0.500
   40    HE1  TYR   4           2HE      TYR   4  -2.252  -3.606   3.608
   41    HE2  TYR   4           1HE      TYR   4  -5.891  -4.877   1.785
   42    HH   TYR   4           HH       TYR   4  -5.140  -3.397   4.195
   43    H    VAL   5           H        VAL   5  -1.212  -4.046  -3.620
   44    HA   VAL   5           HA       VAL   5   1.573  -3.352  -3.384
   45    HB   VAL   5           HB       VAL   5   1.271  -5.754  -4.376
   46   HG11  VAL   5          1HG1      VAL   5   0.632  -5.994  -6.568
   47   HG12  VAL   5          2HG1      VAL   5  -0.422  -4.641  -6.094
   48   HG13  VAL   5          3HG1      VAL   5   1.077  -4.326  -7.000
   49   HG21  VAL   5          3HG2      VAL   5   3.134  -3.571  -4.907
   50   HG22  VAL   5          1HG2      VAL   5   3.451  -5.291  -4.580
   51   HG23  VAL   5          2HG2      VAL   5   3.086  -4.753  -6.237
   52    H    CYS   6           H        CYS   6   2.140  -1.603  -4.781
   53    HA   CYS   6           HA       CYS   6   0.266   0.259  -5.228
   54    HB2  CYS   6           1HB      CYS   6   2.506   0.906  -5.384
   55    HB3  CYS   6           2HB      CYS   6   2.876  -0.287  -6.613
   56    H    THR   7           H        THR   7   1.524  -2.138  -7.664
   57    HA   THR   7           HA       THR   7   0.453  -3.180  -9.336
   58    HB   THR   7           HB       THR   7  -1.634  -2.602  -7.640
   59    HG1  THR   7           1HG      THR   7  -1.581  -4.485  -8.933
   60   HG21  THR   7          3HG2      THR   7  -2.749  -1.718 -10.283
   61   HG22  THR   7          1HG2      THR   7  -3.291  -1.311  -8.637
   62   HG23  THR   7          2HG2      THR   7  -1.887  -0.475  -9.344
   63    H    VAL   8           H        VAL   8   1.665  -0.282  -9.205
   64    HA   VAL   8           HA       VAL   8   0.905   0.318 -11.973
   65    HB   VAL   8           HB       VAL   8   1.580   2.499 -10.035
   66   HG11  VAL   8          1HG1      VAL   8   0.575   3.917 -11.586
   67   HG12  VAL   8          2HG1      VAL   8   1.350   2.695 -12.622
   68   HG13  VAL   8          3HG1      VAL   8  -0.400   2.612 -12.304
   69   HG21  VAL   8          3HG2      VAL   8  -1.236   1.441 -10.440
   70   HG22  VAL   8          1HG2      VAL   8  -0.242   1.131  -8.997
   71   HG23  VAL   8          2HG2      VAL   8  -0.727   2.795  -9.402
   72    H    CYS   9           H        CYS   9   3.297   0.606  -9.286
   73    HA   CYS   9           HA       CYS   9   5.365   0.651 -11.363
   74    HB2  CYS   9           1HB      CYS   9   6.678   2.131 -10.154
   75    HB3  CYS   9           2HB      CYS   9   5.062   2.800 -10.040
   76    H    GLY  10           H        GLY  10   4.505  -0.177  -7.931
   77    HA2  GLY  10           1HA      GLY  10   4.786  -2.613  -7.470
   78    HA3  GLY  10           2HA      GLY  10   6.413  -2.433  -8.094
   79    H    TYR  11           H        TYR  11   4.280  -1.964  -5.354
   80    HA   TYR  11           HA       TYR  11   6.526  -1.570  -3.635
   81    HB2  TYR  11           1HB      TYR  11   6.091   0.754  -4.499
   82    HB3  TYR  11           2HB      TYR  11   4.382   0.583  -4.151
   83    HD1  TYR  11           2HD      TYR  11   7.696   0.443  -2.392
   84    HD2  TYR  11           1HD      TYR  11   3.551   1.483  -2.173
   85    HE1  TYR  11           2HE      TYR  11   8.060   1.437  -0.081
   86    HE2  TYR  11           1HE      TYR  11   3.930   2.474   0.138
   87    HH   TYR  11           HH       TYR  11   6.812   1.931   1.881
   88    H    GLU  12           H        GLU  12   5.701  -3.531  -2.712
   89    HA   GLU  12           HA       GLU  12   3.034  -3.755  -1.925
   90    HB2  GLU  12           1HB      GLU  12   4.445  -5.723  -2.283
   91    HB3  GLU  12           2HB      GLU  12   5.544  -5.224  -1.013
   92    HG2  GLU  12           1HG      GLU  12   3.174  -5.229   0.378
   93    HG3  GLU  12           2HG      GLU  12   2.841  -6.484  -0.798
   94    HE2  GLU  12           HE       GLU  12   4.833  -8.452  -0.539
   95    H    TYR  13           H        TYR  13   1.956  -3.128  -0.071
   96    HA   TYR  13           HA       TYR  13   3.490  -1.502   1.794
   97    HB2  TYR  13           1HB      TYR  13   1.409  -0.569   0.886
   98    HB3  TYR  13           2HB      TYR  13   0.557  -2.085   1.104
   99    HD1  TYR  13           1HD      TYR  13   2.302   0.547   3.134
  100    HD2  TYR  13           2HD      TYR  13  -0.872  -2.314   2.926
  101    HE1  TYR  13           1HE      TYR  13   1.413   1.359   5.373
  102    HE2  TYR  13           2HE      TYR  13  -1.750  -1.492   5.166
  103    HH   TYR  13           HH       TYR  13  -0.250  -0.117   7.292
  104    H    ASP  14           H        ASP  14   3.540  -1.857   4.054
  105    HA   ASP  14           HA       ASP  14   2.778  -4.578   4.762
  106    HB2  ASP  14           1HB      ASP  14   5.084  -2.803   5.454
  107    HB3  ASP  14           2HB      ASP  14   4.458  -3.758   6.782
  108    HD2  ASP  14           HD       ASP  14   7.039  -5.696   5.485
  109    HA   PRO  15           HA       PRO  15  -0.000  -2.170   7.306
  110    HB2  PRO  15           1HB      PRO  15  -1.822  -4.154   7.768
  111    HB3  PRO  15           2HB      PRO  15  -1.900  -3.085   6.382
  112    HG2  PRO  15           1HG      PRO  15  -1.051  -5.914   6.495
  113    HG3  PRO  15           2HG      PRO  15  -1.538  -4.969   5.102
  114    HD2  PRO  15           1HD      PRO  15   1.140  -5.685   5.838
  115    HD3  PRO  15           2HD      PRO  15   0.660  -4.644   4.512
  116    H    ALA  16           H        ALA  16   1.342  -5.293   8.048
  117    HA   ALA  16           HA       ALA  16   0.795  -5.050  10.835
  118    HB1  ALA  16           1HB      ALA  16   2.983  -6.843  10.059
  119    HB2  ALA  16           2HB      ALA  16   1.423  -7.218  10.830
  120    HB3  ALA  16           3HB      ALA  16   1.529  -7.071   9.059
  121    H    GLU  17           H        GLU  17   2.947  -3.489   8.702
  122    HA   GLU  17           HA       GLU  17   4.820  -3.047  10.893
  123    HB2  GLU  17           1HB      GLU  17   5.648  -4.053   8.659
  124    HB3  GLU  17           2HB      GLU  17   5.350  -2.478   7.952
  125    HG2  GLU  17           1HG      GLU  17   7.627  -2.358   8.584
  126    HG3  GLU  17           2HG      GLU  17   6.810  -1.523   9.890
  127    HE2  GLU  17           HE       GLU  17   9.321  -3.123   9.981
  128    H    GLY  18           H        GLY  18   3.303  -1.397   8.025
  129    HA2  GLY  18           1HA      GLY  18   1.966   0.587   8.568
  130    HA3  GLY  18           2HA      GLY  18   3.262   1.087   9.636
  131    H    ASP  19           H        ASP  19   4.016   2.956   8.659
  132    HA   ASP  19           HA       ASP  19   5.631   2.638   6.407
  133    HB2  ASP  19           1HB      ASP  19   3.028   2.931   5.638
  134    HB3  ASP  19           2HB      ASP  19   3.460   4.621   5.802
  135    HD2  ASP  19           HD       ASP  19   3.379   2.141   3.816
  136    HA   PRO  20           HA       PRO  20   6.777   6.167   8.876
  137    HB2  PRO  20           1HB      PRO  20   9.430   6.184   8.224
  138    HB3  PRO  20           2HB      PRO  20   8.773   5.231   9.539
  139    HG2  PRO  20           1HG      PRO  20   9.674   4.335   6.870
  140    HG3  PRO  20           2HG      PRO  20   9.423   3.384   8.320
  141    HD2  PRO  20           1HD      PRO  20   7.687   3.530   6.042
  142    HD3  PRO  20           2HD      PRO  20   7.381   2.672   7.539
  143    H    ASP  21           H        ASP  21   7.611   5.721   5.514
  144    HA   ASP  21           HA       ASP  21   8.500   8.052   4.752
  145    HB2  ASP  21           1HB      ASP  21   7.435   5.992   3.419
  146    HB3  ASP  21           2HB      ASP  21   6.042   7.049   3.299
  147    HD2  ASP  21           HD       ASP  21   8.731   7.360   0.630
  148    H    ASN  22           H        ASN  22   5.033   7.313   5.535
  149    HA   ASN  22           HA       ASN  22   4.470  10.154   5.355
  150    HB2  ASN  22           1HB      ASN  22   2.870   7.634   5.064
  151    HB3  ASN  22           2HB      ASN  22   2.033   8.956   5.854
  152   HD21  ASN  22          1HD2      ASN  22   4.188   8.346   3.085
  153   HD22  ASN  22          2HD2      ASN  22   3.382   9.374   1.947
  154    H    GLY  23           H        GLY  23   4.102   7.203   7.436
  155    HA2  GLY  23           1HA      GLY  23   4.775   7.609   9.794
  156    HA3  GLY  23           2HA      GLY  23   3.676   8.975   9.768
  157    H    VAL  24           H        VAL  24   3.873   5.393   9.446
  158    HA   VAL  24           HA       VAL  24   1.137   5.285  10.491
  159    HB   VAL  24           HB       VAL  24   2.313   3.818   8.136
  160   HG11  VAL  24          1HG1      VAL  24   1.225   2.218   9.749
  161   HG12  VAL  24          2HG1      VAL  24  -0.295   3.114   9.515
  162   HG13  VAL  24          3HG1      VAL  24   0.471   2.284   8.139
  163   HG21  VAL  24          3HG2      VAL  24   1.103   5.275   6.961
  164   HG22  VAL  24          1HG2      VAL  24  -0.375   4.662   7.739
  165   HG23  VAL  24          2HG2      VAL  24   0.511   6.025   8.463
  166    H    LYS  25           H        LYS  25   0.741   3.573  11.961
  167    HA   LYS  25           HA       LYS  25   3.189   2.485  13.082
  168    HB2  LYS  25           1HB      LYS  25   2.057   2.304  15.075
  169    HB3  LYS  25           2HB      LYS  25   1.264   3.695  14.365
  170    HG2  LYS  25           1HG      LYS  25  -0.284   1.683  13.319
  171    HG3  LYS  25           2HG      LYS  25   0.206   0.935  14.826
  172    HD2  LYS  25           1HD      LYS  25  -0.705   2.765  16.138
  173    HD3  LYS  25           2HD      LYS  25  -0.937   3.759  14.714
  174    HE2  LYS  25           1HE      LYS  25  -2.299   1.114  14.581
  175    HE3  LYS  25           2HE      LYS  25  -2.888   2.158  15.859
  176    HZ1  LYS  25           2HZ      LYS  25  -3.305   2.411  13.062
  177    HZ3  LYS  25           1HZ      LYS  25  -2.637   3.782  13.632
  178    HA   PRO  26           HA       PRO  26   2.461  -1.542  11.710
  179    HB2  PRO  26           1HB      PRO  26   3.230  -3.122  13.802
  180    HB3  PRO  26           2HB      PRO  26   4.367  -2.356  12.712
  181    HG2  PRO  26           1HG      PRO  26   3.678  -1.616  15.489
  182    HG3  PRO  26           2HG      PRO  26   5.080  -1.153  14.546
  183    HD2  PRO  26           1HD      PRO  26   2.788   0.471  15.123
  184    HD3  PRO  26           2HD      PRO  26   4.135   0.891  14.085
  185    H    GLY  27           H        GLY  27   0.981  -3.189  11.407
  186    HA2  GLY  27           1HA      GLY  27  -0.760  -4.538  12.146
  187    HA3  GLY  27           2HA      GLY  27  -0.976  -3.522  13.557
  188    H    THR  28           H        THR  28  -0.624  -1.146  11.419
  189    HA   THR  28           HA       THR  28  -3.374  -0.585  11.233
  190    HB   THR  28           HB       THR  28  -0.878   0.559   9.878
  191    HG1  THR  28           1HG      THR  28  -1.583   2.213  11.621
  192   HG21  THR  28          3HG2      THR  28  -2.197   2.531   9.364
  193   HG22  THR  28          1HG2      THR  28  -3.100   1.148   8.700
  194   HG23  THR  28          2HG2      THR  28  -3.608   1.887  10.237
  195    H    SER  29           H        SER  29  -4.615  -0.183   9.217
  196    HA   SER  29           HA       SER  29  -3.977  -2.305   7.321
  197    HB2  SER  29           1HB      SER  29  -6.240  -2.829   7.133
  198    HB3  SER  29           2HB      SER  29  -6.150  -2.360   8.819
  199    HG   SER  29           HG       SER  29  -7.785  -1.345   7.032
  200    H    PHE  30           H        PHE  30  -4.252  -1.847   5.044
  201    HA   PHE  30           HA       PHE  30  -3.561   0.736   4.291
  202    HB2  PHE  30           1HB      PHE  30  -3.314  -1.572   3.100
  203    HB3  PHE  30           2HB      PHE  30  -5.006  -1.435   2.662
  204    HD1  PHE  30           1HD      PHE  30  -5.704   0.604   1.267
  205    HD2  PHE  30           2HD      PHE  30  -1.664  -0.596   1.760
  206    HE1  PHE  30           1HE      PHE  30  -5.067   1.903  -0.785
  207    HE2  PHE  30           2HE      PHE  30  -1.027   0.702  -0.291
  208    HZ   PHE  30           HZ       PHE  30  -2.737   1.936  -1.539
  209    H    ASP  31           H        ASP  31  -6.656  -0.639   5.108
  210    HA   ASP  31           HA       ASP  31  -8.163   1.086   3.446
  211    HB2  ASP  31           1HB      ASP  31  -8.765  -1.222   4.651
  212    HB3  ASP  31           2HB      ASP  31  -9.242  -0.178   5.976
  213    HD2  ASP  31           HD       ASP  31 -10.711  -1.480   3.085
  214    H    ASP  32           H        ASP  32  -6.544   1.241   6.555
  215    HA   ASP  32           HA       ASP  32  -8.173   3.481   7.393
  216    HB2  ASP  32           1HB      ASP  32  -6.693   1.403   8.728
  217    HB3  ASP  32           2HB      ASP  32  -5.950   2.927   9.168
  218    HD2  ASP  32           HD       ASP  32  -9.289   1.941   8.751
  219    H    LEU  33           H        LEU  33  -5.708   3.013   5.286
  220    HA   LEU  33           HA       LEU  33  -3.754   4.848   6.256
  221    HB2  LEU  33           1HB      LEU  33  -4.229   3.303   3.743
  222    HB3  LEU  33           2HB      LEU  33  -3.106   4.649   3.709
  223    HG   LEU  33           HG       LEU  33  -2.924   2.200   5.485
  224   HD11  LEU  33          1HD1      LEU  33  -0.661   2.705   3.752
  225   HD12  LEU  33          2HD1      LEU  33  -1.676   1.251   3.913
  226   HD13  LEU  33          3HD1      LEU  33  -2.168   2.563   2.815
  227   HD21  LEU  33          3HD2      LEU  33  -0.613   3.198   5.999
  228   HD22  LEU  33          1HD2      LEU  33  -1.296   4.736   5.419
  229   HD23  LEU  33          2HD2      LEU  33  -2.031   3.905   6.811
  230    HA   PRO  34           HA       PRO  34  -5.519   8.520   4.837
  231    HB2  PRO  34           1HB      PRO  34  -3.318  10.084   4.414
  232    HB3  PRO  34           2HB      PRO  34  -3.998   9.797   6.003
  233    HG2  PRO  34           1HG      PRO  34  -1.549   8.656   4.802
  234    HG3  PRO  34           2HG      PRO  34  -2.014   8.725   6.490
  235    HD2  PRO  34           1HD      PRO  34  -2.135   6.434   4.769
  236    HD3  PRO  34           2HD      PRO  34  -2.707   6.534   6.422
  237    H    ALA  35           H        ALA  35  -5.904  10.036   3.073
  238    HA   ALA  35           HA       ALA  35  -5.698   8.593   0.623
  239    HB1  ALA  35           1HB      ALA  35  -6.916  10.538  -0.281
  240    HB2  ALA  35           2HB      ALA  35  -7.655   9.975   1.237
  241    HB3  ALA  35           3HB      ALA  35  -6.629  11.429   1.233
  242    H    ASP  36           H        ASP  36  -3.870  11.123   2.302
  243    HA   ASP  36           HA       ASP  36  -2.495  11.883  -0.078
  244    HB2  ASP  36           1HB      ASP  36  -1.787  12.480   2.832
  245    HB3  ASP  36           2HB      ASP  36  -1.193  13.339   1.425
  246    HD2  ASP  36           HD       ASP  36  -3.276  14.851   0.380
  247    H    TRP  37           H        TRP  37  -2.493   9.044   1.411
  248    HA   TRP  37           HA       TRP  37   0.253   8.721   2.156
  249    HB2  TRP  37           1HB      TRP  37  -1.460   7.456   3.282
  250    HB3  TRP  37           2HB      TRP  37  -2.017   6.765   1.771
  251    HD1  TRP  37           HD       TRP  37   0.959   6.502   4.228
  252    HE1  TRP  37           1HE      TRP  37   2.271   4.237   3.889
  253    HE3  TRP  37           3HE      TRP  37  -1.575   5.047   0.067
  254    HZ2  TRP  37           2HZ      TRP  37   2.106   2.139   1.962
  255    HZ3  TRP  37           3HZ      TRP  37  -0.938   2.877  -0.982
  256    HH2  TRP  37           HH       TRP  37   0.833   1.441  -0.101
  257    H    VAL  38           H        VAL  38  -1.898   7.526  -0.528
  258    HA   VAL  38           HA       VAL  38  -1.370   6.599  -2.489
  259    HB   VAL  38           HB       VAL  38  -0.067   8.092  -3.939
  260   HG11  VAL  38          1HG1      VAL  38  -1.692   9.705  -4.029
  261   HG12  VAL  38          2HG1      VAL  38  -2.501   8.540  -2.953
  262   HG13  VAL  38          3HG1      VAL  38  -1.689   9.969  -2.269
  263   HG21  VAL  38          3HG2      VAL  38   1.674   8.688  -2.250
  264   HG22  VAL  38          1HG2      VAL  38   0.997  10.094  -3.107
  265   HG23  VAL  38          2HG2      VAL  38   0.478   9.731  -1.443
  266    H    CYS  39           H        CYS  39   1.008   6.514  -4.039
  267    HA   CYS  39           HA       CYS  39   2.500   4.619  -2.413
  268    HB2  CYS  39           1HB      CYS  39   1.763   3.614  -4.390
  269    HB3  CYS  39           2HB      CYS  39   2.149   5.014  -5.371
  270    HA   PRO  40           HA       PRO  40   5.501   7.867  -2.249
  271    HB2  PRO  40           1HB      PRO  40   7.037   6.793  -0.260
  272    HB3  PRO  40           2HB      PRO  40   5.638   7.802   0.049
  273    HG2  PRO  40           1HG      PRO  40   5.908   4.872   0.328
  274    HG3  PRO  40           2HG      PRO  40   4.696   5.933   1.017
  275    HD2  PRO  40           1HD      PRO  40   4.368   4.192  -1.238
  276    HD3  PRO  40           2HD      PRO  40   3.196   5.338  -0.620
  277    H    VAL  41           H        VAL  41   5.611   6.302  -4.446
  278    HA   VAL  41           HA       VAL  41   8.496   5.978  -4.618
  279    HB   VAL  41           HB       VAL  41   6.666   3.815  -5.633
  280   HG11  VAL  41          1HG1      VAL  41   8.591   2.581  -6.017
  281   HG12  VAL  41          2HG1      VAL  41   9.143   4.234  -6.382
  282   HG13  VAL  41          3HG1      VAL  41   9.543   3.487  -4.816
  283   HG21  VAL  41          3HG2      VAL  41   8.110   3.790  -2.962
  284   HG22  VAL  41          1HG2      VAL  41   6.359   4.031  -3.171
  285   HG23  VAL  41          2HG2      VAL  41   7.110   2.491  -3.654
  286    H    CYS  42           H        CYS  42   5.367   5.526  -6.419
  287    HA   CYS  42           HA       CYS  42   6.642   6.919  -8.651
  288    HB2  CYS  42           1HB      CYS  42   5.147   5.845 -10.114
  289    HB3  CYS  42           2HB      CYS  42   5.756   4.610  -9.030
  290    H    GLY  43           H        GLY  43   3.578   6.613  -6.722
  291    HA2  GLY  43           1HA      GLY  43   2.967   9.000  -5.943
  292    HA3  GLY  43           2HA      GLY  43   2.757   9.276  -7.661
  293    H    ALA  44           H        ALA  44   1.757   6.623  -8.373
  294    HA   ALA  44           HA       ALA  44  -0.814   6.786  -8.480
  295    HB1  ALA  44           1HB      ALA  44  -0.944   4.280  -8.097
  296    HB2  ALA  44           2HB      ALA  44   0.320   4.803  -9.235
  297    HB3  ALA  44           3HB      ALA  44   0.755   4.345  -7.571
  298    HA   PRO  45           HA       PRO  45  -2.427   7.300  -4.484
  299    HB2  PRO  45           1HB      PRO  45  -5.092   7.160  -5.076
  300    HB3  PRO  45           2HB      PRO  45  -4.141   8.618  -5.276
  301    HG2  PRO  45           1HG      PRO  45  -5.128   6.751  -7.344
  302    HG3  PRO  45           2HG      PRO  45  -4.561   8.398  -7.533
  303    HD2  PRO  45           1HD      PRO  45  -3.121   6.004  -8.178
  304    HD3  PRO  45           2HD      PRO  45  -2.513   7.645  -8.257
  305    H    LYS  46           H        LYS  46  -3.551   6.267  -2.710
  306    HA   LYS  46           HA       LYS  46  -2.986   3.543  -2.690
  307    HB2  LYS  46           1HB      LYS  46  -3.671   3.601  -0.505
  308    HB3  LYS  46           2HB      LYS  46  -3.352   5.302  -0.774
  309    HG2  LYS  46           1HG      LYS  46  -5.883   5.428  -1.500
  310    HG3  LYS  46           2HG      LYS  46  -6.035   3.884  -0.685
  311    HD2  LYS  46           1HD      LYS  46  -4.722   6.238   0.717
  312    HD3  LYS  46           2HD      LYS  46  -6.468   6.092   0.678
  313    HE2  LYS  46           1HE      LYS  46  -4.831   3.693   1.525
  314    HE3  LYS  46           2HE      LYS  46  -5.051   5.006   2.665
  315    HZ1  LYS  46           2HZ      LYS  46  -6.809   3.120   2.564
  316    HZ3  LYS  46           1HZ      LYS  46  -7.407   3.912   1.273
  317    H    SER  47           H        SER  47  -5.607   5.323  -4.101
  318    HA   SER  47           HA       SER  47  -7.516   3.252  -3.879
  319    HB2  SER  47           1HB      SER  47  -7.346   5.953  -5.015
  320    HB3  SER  47           2HB      SER  47  -8.227   4.872  -6.076
  321    HG   SER  47           HG       SER  47  -8.938   4.573  -3.387
  322    H    GLU  48           H        GLU  48  -4.686   3.747  -5.778
  323    HA   GLU  48           HA       GLU  48  -5.725   2.083  -7.918
  324    HB2  GLU  48           1HB      GLU  48  -3.275   3.862  -7.666
  325    HB3  GLU  48           2HB      GLU  48  -3.422   2.696  -8.966
  326    HG2  GLU  48           1HG      GLU  48  -5.902   3.930  -9.063
  327    HG3  GLU  48           2HG      GLU  48  -4.880   5.256  -8.548
  328    HE2  GLU  48           HE       GLU  48  -2.640   3.830 -10.892
  329    H    PHE  49           H        PHE  49  -5.223   1.009  -5.222
  330    HA   PHE  49           HA       PHE  49  -2.914  -0.705  -5.809
  331    HB2  PHE  49           1HB      PHE  49  -4.157   0.568  -3.363
  332    HB3  PHE  49           2HB      PHE  49  -3.510  -1.043  -3.131
  333    HD1  PHE  49           2HD      PHE  49  -2.461   2.168  -4.737
  334    HD2  PHE  49           1HD      PHE  49  -1.340  -1.181  -2.385
  335    HE1  PHE  49           2HE      PHE  49  -0.160   3.132  -4.461
  336    HE2  PHE  49           1HE      PHE  49   0.961  -0.218  -2.109
  337    HZ   PHE  49           HZ       PHE  49   1.523   1.928  -3.151
  338    H    GLU  50           H        GLU  50  -3.118  -2.981  -5.514
  339    HA   GLU  50           HA       GLU  50  -5.662  -3.987  -4.681
  340    HB2  GLU  50           1HB      GLU  50  -6.354  -3.752  -6.913
  341    HB3  GLU  50           2HB      GLU  50  -4.755  -4.063  -7.558
  342    HG2  GLU  50           1HG      GLU  50  -4.947  -6.397  -7.306
  343    HG3  GLU  50           2HG      GLU  50  -6.128  -6.269  -6.018
  344    HE2  GLU  50           HE       GLU  50  -8.781  -5.555  -7.955
  345    H    ALA  51           H        ALA  51  -5.547  -6.208  -4.031
  346    HA   ALA  51           HA       ALA  51  -3.067  -7.060  -3.139
  347    HB1  ALA  51           1HB      ALA  51  -4.572  -8.250  -1.960
  348    HB2  ALA  51           2HB      ALA  51  -5.835  -7.986  -3.186
  349    HB3  ALA  51           3HB      ALA  51  -4.693  -9.339  -3.363
  350    H    ALA  52           H        ALA  52  -1.346  -7.933  -4.174
  351    HA   ALA  52           HA       ALA  52  -1.733  -9.807  -6.292
  352    HB1  ALA  52           1HB      ALA  52  -1.220  -6.956  -6.879
  353    HB2  ALA  52           2HB      ALA  52  -0.070  -8.077  -7.647
  354    HB3  ALA  52           3HB      ALA  52  -1.816  -8.254  -7.942
  Start of MODEL    9
    1    H1   MET   1           H        MET   1  -1.710 -10.196   7.729
    2    HA   MET   1           HA       MET   1  -3.628 -11.020   7.095
    3    HB2  MET   1           1HB      MET   1  -4.073  -8.014   7.040
    4    HB3  MET   1           2HB      MET   1  -5.391  -9.059   6.548
    5    HG2  MET   1           1HG      MET   1  -5.468 -10.154   8.701
    6    HG3  MET   1           2HG      MET   1  -3.917  -9.494   9.179
    7    HE1  MET   1           3HE      MET   1  -3.757  -8.247  10.709
    8    HE2  MET   1           1HE      MET   1  -4.132  -6.513  10.571
    9    HE3  MET   1           2HE      MET   1  -5.122  -7.557  11.618
   10    H    LYS   2           H        LYS   2  -3.197  -8.162   4.874
   11    HA   LYS   2           HA       LYS   2  -3.246  -9.998   2.626
   12    HB2  LYS   2           1HB      LYS   2  -4.961  -8.524   1.480
   13    HB3  LYS   2           2HB      LYS   2  -5.561  -9.588   2.736
   14    HG2  LYS   2           1HG      LYS   2  -5.108  -7.483   4.316
   15    HG3  LYS   2           2HG      LYS   2  -5.188  -6.587   2.812
   16    HD2  LYS   2           1HD      LYS   2  -7.410  -8.107   2.482
   17    HD3  LYS   2           2HD      LYS   2  -7.355  -8.115   4.233
   18    HE2  LYS   2           1HE      LYS   2  -6.837  -5.414   3.348
   19    HE3  LYS   2           2HE      LYS   2  -8.247  -5.999   2.487
   20    HZ1  LYS   2           2HZ      LYS   2  -7.988  -6.304   5.424
   21    HZ3  LYS   2           1HZ      LYS   2  -9.342  -6.457   4.532
   22    H    LYS   3           H        LYS   3  -1.466  -9.513   1.471
   23    HA   LYS   3           HA       LYS   3  -0.373  -6.833   1.735
   24    HB2  LYS   3           1HB      LYS   3   0.764  -9.365   0.513
   25    HB3  LYS   3           2HB      LYS   3   1.610  -7.835   0.622
   26    HG2  LYS   3           1HG      LYS   3   0.448  -9.229   3.072
   27    HG3  LYS   3           2HG      LYS   3   2.074  -9.545   2.499
   28    HD2  LYS   3           1HD      LYS   3   1.087  -6.725   3.107
   29    HD3  LYS   3           2HD      LYS   3   1.817  -7.741   4.333
   30    HE2  LYS   3           1HE      LYS   3   3.702  -6.599   3.554
   31    HE3  LYS   3           2HE      LYS   3   3.764  -8.033   2.547
   32    HZ1  LYS   3           2HZ      LYS   3   2.107  -6.086   1.324
   33    HZ3  LYS   3           1HZ      LYS   3   3.479  -6.745   0.745
   34    H    TYR   4           H        TYR   4  -0.662  -5.275   0.230
   35    HA   TYR   4           HA       TYR   4  -1.869  -6.117  -2.305
   36    HB2  TYR   4           1HB      TYR   4  -1.541  -3.246  -1.397
   37    HB3  TYR   4           2HB      TYR   4  -2.925  -3.984  -2.177
   38    HD1  TYR   4           1HD      TYR   4  -1.248  -3.376   1.043
   39    HD2  TYR   4           2HD      TYR   4  -4.666  -5.092  -0.875
   40    HE1  TYR   4           1HE      TYR   4  -2.434  -3.538   3.286
   41    HE2  TYR   4           2HE      TYR   4  -5.841  -5.248   1.375
   42    HH   TYR   4           HH       TYR   4  -4.469  -5.272   4.124
   43    H    VAL   5           H        VAL   5  -1.308  -3.901  -3.886
   44    HA   VAL   5           HA       VAL   5   1.479  -3.302  -3.823
   45    HB   VAL   5           HB       VAL   5   0.583  -5.666  -5.201
   46   HG11  VAL   5          1HG1      VAL   5   1.786  -3.489  -6.940
   47   HG12  VAL   5          2HG1      VAL   5   1.721  -5.212  -7.382
   48   HG13  VAL   5          3HG1      VAL   5   0.213  -4.295  -7.150
   49   HG21  VAL   5          3HG2      VAL   5   2.567  -5.731  -3.907
   50   HG22  VAL   5          1HG2      VAL   5   3.095  -5.854  -5.602
   51   HG23  VAL   5          2HG2      VAL   5   3.248  -4.309  -4.732
   52    H    CYS   6           H        CYS   6   2.055  -1.761  -5.562
   53    HA   CYS   6           HA       CYS   6  -0.231  -0.132  -6.158
   54    HB2  CYS   6           1HB      CYS   6   1.608   1.094  -5.422
   55    HB3  CYS   6           2HB      CYS   6   2.742   0.197  -6.412
   56    H    THR   7           H        THR   7  -0.889   0.456  -8.338
   57    HA   THR   7           HA       THR   7  -0.512  -1.691 -10.220
   58    HB   THR   7           HB       THR   7  -2.198  -0.295 -11.511
   59    HG1  THR   7           1HG      THR   7  -2.460   1.783 -10.754
   60   HG21  THR   7          3HG2      THR   7  -3.956  -0.175  -9.576
   61   HG22  THR   7          1HG2      THR   7  -3.301  -1.780  -9.981
   62   HG23  THR   7          2HG2      THR   7  -2.685  -0.900  -8.562
   63    H    VAL   8           H        VAL   8   0.092   1.889 -10.270
   64    HA   VAL   8           HA       VAL   8   1.313   2.011 -12.703
   65    HB   VAL   8           HB       VAL   8   2.062   3.524 -10.193
   66   HG11  VAL   8          1HG1      VAL   8   3.117   3.637 -12.829
   67   HG12  VAL   8          2HG1      VAL   8   2.128   5.099 -12.595
   68   HG13  VAL   8          3HG1      VAL   8   3.448   4.726 -11.460
   69   HG21  VAL   8          3HG2      VAL   8   0.393   5.218 -11.213
   70   HG22  VAL   8          1HG2      VAL   8  -0.228   3.828 -12.136
   71   HG23  VAL   8          2HG2      VAL   8  -0.259   3.799 -10.357
   72    H    CYS   9           H        CYS   9   3.230   2.003  -9.619
   73    HA   CYS   9           HA       CYS   9   5.335   0.653 -11.105
   74    HB2  CYS   9           1HB      CYS   9   6.858   1.526  -9.628
   75    HB3  CYS   9           2HB      CYS   9   5.666   2.806  -9.729
   76    H    GLY  10           H        GLY  10   6.653  -0.606  -8.915
   77    HA2  GLY  10           1HA      GLY  10   4.639  -2.619  -8.103
   78    HA3  GLY  10           2HA      GLY  10   6.289  -2.995  -8.559
   79    H    TYR  11           H        TYR  11   4.174  -1.648  -6.047
   80    HA   TYR  11           HA       TYR  11   6.376  -1.970  -4.149
   81    HB2  TYR  11           1HB      TYR  11   6.328   0.425  -4.560
   82    HB3  TYR  11           2HB      TYR  11   4.590   0.430  -4.784
   83    HD1  TYR  11           2HD      TYR  11   6.961  -0.585  -2.043
   84    HD2  TYR  11           1HD      TYR  11   3.421   1.555  -3.137
   85    HE1  TYR  11           2HE      TYR  11   6.646   0.143   0.372
   86    HE2  TYR  11           1HE      TYR  11   3.118   2.276  -0.718
   87    HH   TYR  11           HH       TYR  11   3.884   1.200   1.589
   88    H    GLU  12           H        GLU  12   5.702  -3.443  -2.678
   89    HA   GLU  12           HA       GLU  12   2.858  -3.718  -2.286
   90    HB2  GLU  12           1HB      GLU  12   3.417  -5.822  -1.162
   91    HB3  GLU  12           2HB      GLU  12   4.247  -5.739  -2.702
   92    HG2  GLU  12           1HG      GLU  12   6.332  -5.003  -1.572
   93    HG3  GLU  12           2HG      GLU  12   5.511  -4.987  -0.024
   94    HE2  GLU  12           HE       GLU  12   6.370  -7.040  -2.620
   95    H    TYR  13           H        TYR  13   1.772  -3.100  -0.432
   96    HA   TYR  13           HA       TYR  13   3.359  -1.660   1.539
   97    HB2  TYR  13           1HB      TYR  13   1.369  -0.557   0.604
   98    HB3  TYR  13           2HB      TYR  13   0.410  -2.014   0.765
   99    HD1  TYR  13           1HD      TYR  13   2.445   0.178   3.048
  100    HD2  TYR  13           2HD      TYR  13  -1.218  -1.936   2.404
  101    HE1  TYR  13           1HE      TYR  13   1.571   0.993   5.293
  102    HE2  TYR  13           2HE      TYR  13  -2.079  -1.115   4.650
  103    HH   TYR  13           HH       TYR  13  -0.326  -0.116   6.994
  104    H    ASP  14           H        ASP  14   3.394  -2.148   3.757
  105    HA   ASP  14           HA       ASP  14   2.359  -4.807   4.345
  106    HB2  ASP  14           1HB      ASP  14   4.943  -3.785   4.614
  107    HB3  ASP  14           2HB      ASP  14   4.306  -3.610   6.238
  108    HD2  ASP  14           HD       ASP  14   4.192  -6.586   7.187
  109    HA   PRO  15           HA       PRO  15  -0.163  -2.264   7.014
  110    HB2  PRO  15           1HB      PRO  15  -2.149  -4.095   7.431
  111    HB3  PRO  15           2HB      PRO  15  -2.145  -2.976   6.082
  112    HG2  PRO  15           1HG      PRO  15  -1.547  -5.871   6.091
  113    HG3  PRO  15           2HG      PRO  15  -1.961  -4.840   4.736
  114    HD2  PRO  15           1HD      PRO  15   0.650  -5.813   5.416
  115    HD3  PRO  15           2HD      PRO  15   0.252  -4.690   4.131
  116    H    ALA  16           H        ALA  16   1.059  -5.440   7.617
  117    HA   ALA  16           HA       ALA  16   0.479  -5.343  10.408
  118    HB1  ALA  16           1HB      ALA  16   0.649  -7.516   9.631
  119    HB2  ALA  16           2HB      ALA  16   1.969  -7.126   8.503
  120    HB3  ALA  16           3HB      ALA  16   2.302  -7.278  10.245
  121    H    GLU  17           H        GLU  17   2.590  -3.596   8.443
  122    HA   GLU  17           HA       GLU  17   4.439  -3.299  10.681
  123    HB2  GLU  17           1HB      GLU  17   5.346  -4.304   8.476
  124    HB3  GLU  17           2HB      GLU  17   5.119  -2.715   7.774
  125    HG2  GLU  17           1HG      GLU  17   7.429  -2.926   8.578
  126    HG3  GLU  17           2HG      GLU  17   6.590  -1.721   9.534
  127    HE2  GLU  17           HE       GLU  17   8.200  -4.529   9.540
  128    H    GLY  18           H        GLY  18   2.890  -1.644   7.849
  129    HA2  GLY  18           1HA      GLY  18   1.636   0.371   8.344
  130    HA3  GLY  18           2HA      GLY  18   2.915   0.848   9.443
  131    H    ASP  19           H        ASP  19   3.620   2.750   8.457
  132    HA   ASP  19           HA       ASP  19   5.296   2.404   6.227
  133    HB2  ASP  19           1HB      ASP  19   2.919   2.612   5.218
  134    HB3  ASP  19           2HB      ASP  19   2.916   4.263   5.808
  135    HD2  ASP  19           HD       ASP  19   5.232   2.306   4.241
  136    HA   PRO  20           HA       PRO  20   6.526   5.847   8.779
  137    HB2  PRO  20           1HB      PRO  20   9.189   5.780   8.169
  138    HB3  PRO  20           2HB      PRO  20   8.477   4.831   9.459
  139    HG2  PRO  20           1HG      PRO  20   9.389   3.942   6.791
  140    HG3  PRO  20           2HG      PRO  20   9.081   2.980   8.223
  141    HD2  PRO  20           1HD      PRO  20   7.387   3.220   5.921
  142    HD3  PRO  20           2HD      PRO  20   7.028   2.352   7.400
  143    H    ASP  21           H        ASP  21   7.386   5.419   5.422
  144    HA   ASP  21           HA       ASP  21   8.375   7.721   4.702
  145    HB2  ASP  21           1HB      ASP  21   7.277   5.738   3.314
  146    HB3  ASP  21           2HB      ASP  21   5.886   6.801   3.234
  147    HD2  ASP  21           HD       ASP  21   7.241   9.285   2.625
  148    H    ASN  22           H        ASN  22   4.904   7.117   5.540
  149    HA   ASN  22           HA       ASN  22   4.460   9.987   5.383
  150    HB2  ASN  22           1HB      ASN  22   2.750   7.557   4.985
  151    HB3  ASN  22           2HB      ASN  22   1.961   8.888   5.809
  152   HD21  ASN  22          1HD2      ASN  22   4.072   8.214   3.026
  153   HD22  ASN  22          2HD2      ASN  22   3.350   9.337   1.922
  154    H    GLY  23           H        GLY  23   3.843   6.996   7.356
  155    HA2  GLY  23           1HA      GLY  23   4.529   7.323   9.746
  156    HA3  GLY  23           2HA      GLY  23   3.460   8.712   9.734
  157    H    VAL  24           H        VAL  24   3.591   5.137   9.326
  158    HA   VAL  24           HA       VAL  24   0.827   5.061  10.299
  159    HB   VAL  24           HB       VAL  24   2.033   3.684   7.913
  160   HG11  VAL  24          1HG1      VAL  24   0.221   2.104   7.846
  161   HG12  VAL  24          2HG1      VAL  24   1.014   1.969   9.434
  162   HG13  VAL  24          3HG1      VAL  24  -0.536   2.830   9.283
  163   HG21  VAL  24          3HG2      VAL  24  -0.718   4.904   8.165
  164   HG22  VAL  24          1HG2      VAL  24   0.715   5.905   7.830
  165   HG23  VAL  24          2HG2      VAL  24   0.252   4.609   6.702
  166    H    LYS  25           H        LYS  25   0.421   3.483  11.850
  167    HA   LYS  25           HA       LYS  25   2.789   2.293  12.985
  168    HB2  LYS  25           1HB      LYS  25  -0.058   2.692  13.846
  169    HB3  LYS  25           2HB      LYS  25   0.909   1.468  14.644
  170    HG2  LYS  25           1HG      LYS  25   2.606   3.112  15.274
  171    HG3  LYS  25           2HG      LYS  25   1.851   4.349  14.289
  172    HD2  LYS  25           1HD      LYS  25  -0.074   3.197  16.183
  173    HD3  LYS  25           2HD      LYS  25   1.340   3.806  17.020
  174    HE2  LYS  25           1HE      LYS  25   0.511   5.689  14.939
  175    HE3  LYS  25           2HE      LYS  25  -0.838   5.324  15.997
  176    HZ1  LYS  25           2HZ      LYS  25   1.788   5.960  17.179
  177    HZ3  LYS  25           1HZ      LYS  25   0.311   6.143  17.840
  178    HA   PRO  26           HA       PRO  26   2.164  -1.694  11.460
  179    HB2  PRO  26           1HB      PRO  26   2.938  -3.315  13.519
  180    HB3  PRO  26           2HB      PRO  26   4.074  -2.498  12.465
  181    HG2  PRO  26           1HG      PRO  26   3.334  -1.848  15.252
  182    HG3  PRO  26           2HG      PRO  26   4.739  -1.331  14.340
  183    HD2  PRO  26           1HD      PRO  26   2.406   0.230  14.931
  184    HD3  PRO  26           2HD      PRO  26   3.758   0.706  13.922
  185    H    GLY  27           H        GLY  27   0.750  -3.407  11.124
  186    HA2  GLY  27           1HA      GLY  27  -0.998  -4.775  11.741
  187    HA3  GLY  27           2HA      GLY  27  -1.209  -3.873  13.229
  188    H    THR  28           H        THR  28  -0.895  -1.365  11.199
  189    HA   THR  28           HA       THR  28  -3.681  -0.854  11.093
  190    HB   THR  28           HB       THR  28  -1.272   0.526   9.794
  191    HG1  THR  28           1HG      THR  28  -2.850   1.080  12.199
  192   HG21  THR  28          3HG2      THR  28  -4.188   1.272  10.165
  193   HG22  THR  28          1HG2      THR  28  -2.946   2.538  10.318
  194   HG23  THR  28          2HG2      THR  28  -3.108   1.630   8.796
  195    H    SER  29           H        SER  29  -4.968  -0.386   9.164
  196    HA   SER  29           HA       SER  29  -4.259  -2.303   7.093
  197    HB2  SER  29           1HB      SER  29  -6.541  -2.703   6.755
  198    HB3  SER  29           2HB      SER  29  -6.478  -2.426   8.485
  199    HG   SER  29           HG       SER  29  -8.180  -1.175   7.676
  200    H    PHE  30           H        PHE  30  -4.903  -1.681   4.802
  201    HA   PHE  30           HA       PHE  30  -3.900   0.891   4.219
  202    HB2  PHE  30           1HB      PHE  30  -3.842  -1.337   2.865
  203    HB3  PHE  30           2HB      PHE  30  -5.529  -1.057   2.485
  204    HD1  PHE  30           1HD      PHE  30  -6.095   1.186   1.310
  205    HD2  PHE  30           2HD      PHE  30  -2.183  -0.450   1.493
  206    HE1  PHE  30           1HE      PHE  30  -5.419   2.580  -0.666
  207    HE2  PHE  30           2HE      PHE  30  -1.508   0.943  -0.482
  208    HZ   PHE  30           HZ       PHE  30  -3.133   2.442  -1.538
  209    H    ASP  31           H        ASP  31  -7.047  -0.285   5.083
  210    HA   ASP  31           HA       ASP  31  -8.497   1.597   3.552
  211    HB2  ASP  31           1HB      ASP  31  -9.040  -0.631   5.303
  212    HB3  ASP  31           2HB      ASP  31  -9.948   0.742   5.904
  213    HD2  ASP  31           HD       ASP  31 -11.855   1.435   3.898
  214    H    ASP  32           H        ASP  32  -6.741   1.537   6.594
  215    HA   ASP  32           HA       ASP  32  -8.154   3.865   7.565
  216    HB2  ASP  32           1HB      ASP  32  -7.122   1.677   8.868
  217    HB3  ASP  32           2HB      ASP  32  -5.774   2.785   9.026
  218    HD2  ASP  32           HD       ASP  32  -8.824   2.230  10.810
  219    H    LEU  33           H        LEU  33  -6.034   3.487   5.212
  220    HA   LEU  33           HA       LEU  33  -3.847   5.113   6.152
  221    HB2  LEU  33           1HB      LEU  33  -4.538   3.692   3.605
  222    HB3  LEU  33           2HB      LEU  33  -3.291   4.924   3.610
  223    HG   LEU  33           HG       LEU  33  -3.299   2.427   5.329
  224   HD11  LEU  33          1HD1      LEU  33  -1.639   1.529   3.883
  225   HD12  LEU  33          2HD1      LEU  33  -2.986   2.076   2.855
  226   HD13  LEU  33          3HD1      LEU  33  -1.504   3.055   2.975
  227   HD21  LEU  33          3HD2      LEU  33  -1.681   3.324   6.550
  228   HD22  LEU  33          1HD2      LEU  33  -0.732   3.695   5.091
  229   HD23  LEU  33          2HD2      LEU  33  -1.925   4.867   5.699
  230    HA   PRO  34           HA       PRO  34  -5.509   8.891   4.895
  231    HB2  PRO  34           1HB      PRO  34  -3.257  10.364   4.418
  232    HB3  PRO  34           2HB      PRO  34  -3.887  10.070   6.026
  233    HG2  PRO  34           1HG      PRO  34  -1.542   8.850   4.704
  234    HG3  PRO  34           2HG      PRO  34  -1.937   8.900   6.410
  235    HD2  PRO  34           1HD      PRO  34  -2.229   6.657   4.646
  236    HD3  PRO  34           2HD      PRO  34  -2.731   6.744   6.323
  237    H    ALA  35           H        ALA  35  -5.595  10.638   3.172
  238    HA   ALA  35           HA       ALA  35  -5.707   9.200   0.685
  239    HB1  ALA  35           1HB      ALA  35  -6.594  11.860   1.761
  240    HB2  ALA  35           2HB      ALA  35  -6.425  11.675  -0.001
  241    HB3  ALA  35           3HB      ALA  35  -7.527  10.610   0.904
  242    H    ASP  36           H        ASP  36  -3.607  11.550   2.336
  243    HA   ASP  36           HA       ASP  36  -2.210  12.143  -0.083
  244    HB2  ASP  36           1HB      ASP  36  -0.749  13.500   1.394
  245    HB3  ASP  36           2HB      ASP  36  -2.442  13.860   1.670
  246    HD2  ASP  36           HD       ASP  36  -0.409  14.331   3.621
  247    H    TRP  37           H        TRP  37  -2.426   9.329   1.330
  248    HA   TRP  37           HA       TRP  37   0.254   8.784   2.178
  249    HB2  TRP  37           1HB      TRP  37  -1.632   7.632   3.176
  250    HB3  TRP  37           2HB      TRP  37  -2.109   6.984   1.619
  251    HD1  TRP  37           HD       TRP  37   0.788   6.622   4.187
  252    HE1  TRP  37           1HE      TRP  37   1.952   4.265   3.960
  253    HE3  TRP  37           3HE      TRP  37  -1.815   5.148   0.076
  254    HZ2  TRP  37           2HZ      TRP  37   1.660   2.097   2.127
  255    HZ3  TRP  37           3HZ      TRP  37  -1.315   2.897  -0.870
  256    HH2  TRP  37           HH       TRP  37   0.355   1.391   0.088
  257    H    VAL  38           H        VAL  38  -1.859   7.909  -0.650
  258    HA   VAL  38           HA       VAL  38  -1.332   7.019  -2.627
  259    HB   VAL  38           HB       VAL  38   0.239   8.399  -3.925
  260   HG11  VAL  38          1HG1      VAL  38  -2.066   9.360  -2.418
  261   HG12  VAL  38          2HG1      VAL  38  -0.959  10.681  -2.861
  262   HG13  VAL  38          3HG1      VAL  38  -1.627   9.619  -4.123
  263   HG21  VAL  38          3HG2      VAL  38   1.874   8.707  -2.014
  264   HG22  VAL  38          1HG2      VAL  38   1.518  10.168  -2.967
  265   HG23  VAL  38          2HG2      VAL  38   0.766   9.942  -1.370
  266    H    CYS  39           H        CYS  39   1.187   6.798  -4.015
  267    HA   CYS  39           HA       CYS  39   2.323   4.643  -2.413
  268    HB2  CYS  39           1HB      CYS  39   1.561   3.815  -4.472
  269    HB3  CYS  39           2HB      CYS  39   2.201   5.176  -5.371
  270    HA   PRO  40           HA       PRO  40   5.641   7.554  -1.997
  271    HB2  PRO  40           1HB      PRO  40   6.881   6.330   0.108
  272    HB3  PRO  40           2HB      PRO  40   5.591   7.500   0.304
  273    HG2  PRO  40           1HG      PRO  40   5.490   4.562   0.610
  274    HG3  PRO  40           2HG      PRO  40   4.363   5.766   1.201
  275    HD2  PRO  40           1HD      PRO  40   4.006   4.050  -1.069
  276    HD3  PRO  40           2HD      PRO  40   2.933   5.333  -0.547
  277    H    VAL  41           H        VAL  41   5.702   5.881  -4.154
  278    HA   VAL  41           HA       VAL  41   8.543   5.224  -4.096
  279    HB   VAL  41           HB       VAL  41   6.458   3.336  -5.193
  280   HG11  VAL  41          1HG1      VAL  41   9.431   3.018  -4.655
  281   HG12  VAL  41          2HG1      VAL  41   8.340   1.735  -5.231
  282   HG13  VAL  41          3HG1      VAL  41   8.652   3.162  -6.249
  283   HG21  VAL  41          3HG2      VAL  41   5.988   2.954  -3.003
  284   HG22  VAL  41          1HG2      VAL  41   7.471   1.975  -3.093
  285   HG23  VAL  41          2HG2      VAL  41   7.535   3.628  -2.437
  286    H    CYS  42           H        CYS  42   5.483   5.539  -6.003
  287    HA   CYS  42           HA       CYS  42   7.140   6.678  -8.137
  288    HB2  CYS  42           1HB      CYS  42   5.733   5.778  -9.777
  289    HB3  CYS  42           2HB      CYS  42   6.062   4.467  -8.662
  290    H    GLY  43           H        GLY  43   3.959   6.655  -6.404
  291    HA2  GLY  43           1HA      GLY  43   3.505   9.074  -5.657
  292    HA3  GLY  43           2HA      GLY  43   3.437   9.383  -7.381
  293    H    ALA  44           H        ALA  44   2.256   6.809  -8.167
  294    HA   ALA  44           HA       ALA  44  -0.289   7.236  -8.436
  295    HB1  ALA  44           1HB      ALA  44   1.028   5.136  -9.001
  296    HB2  ALA  44           2HB      ALA  44   0.671   4.562  -7.354
  297    HB3  ALA  44           3HB      ALA  44  -0.658   4.863  -8.499
  298    HA   PRO  45           HA       PRO  45  -2.125   7.754  -4.544
  299    HB2  PRO  45           1HB      PRO  45  -4.758   7.705  -5.274
  300    HB3  PRO  45           2HB      PRO  45  -3.749   9.130  -5.422
  301    HG2  PRO  45           1HG      PRO  45  -4.690   7.297  -7.542
  302    HG3  PRO  45           2HG      PRO  45  -4.058   8.924  -7.699
  303    HD2  PRO  45           1HD      PRO  45  -2.669   6.481  -8.271
  304    HD3  PRO  45           2HD      PRO  45  -2.002   8.100  -8.316
  305    H    LYS  46           H        LYS  46  -3.560   6.788  -2.891
  306    HA   LYS  46           HA       LYS  46  -3.015   4.048  -2.779
  307    HB2  LYS  46           1HB      LYS  46  -3.980   4.118  -0.682
  308    HB3  LYS  46           2HB      LYS  46  -3.479   5.782  -0.903
  309    HG2  LYS  46           1HG      LYS  46  -5.835   6.271  -1.794
  310    HG3  LYS  46           2HG      LYS  46  -6.286   4.652  -1.300
  311    HD2  LYS  46           1HD      LYS  46  -4.883   6.146   0.834
  312    HD3  LYS  46           2HD      LYS  46  -6.360   6.935   0.316
  313    HE2  LYS  46           1HE      LYS  46  -7.713   5.256   1.140
  314    HE3  LYS  46           2HE      LYS  46  -6.597   3.984   0.686
  315    HZ1  LYS  46           2HZ      LYS  46  -6.538   4.091   3.036
  316    HZ3  LYS  46           1HZ      LYS  46  -6.441   5.716   3.082
  317    H    SER  47           H        SER  47  -5.448   5.863  -4.457
  318    HA   SER  47           HA       SER  47  -7.427   3.857  -4.397
  319    HB2  SER  47           1HB      SER  47  -7.191   6.536  -5.315
  320    HB3  SER  47           2HB      SER  47  -7.581   5.591  -6.738
  321    HG   SER  47           HG       SER  47  -9.267   4.588  -5.091
  322    H    GLU  48           H        GLU  48  -4.369   4.031  -5.853
  323    HA   GLU  48           HA       GLU  48  -5.242   2.367  -8.079
  324    HB2  GLU  48           1HB      GLU  48  -2.639   3.911  -7.694
  325    HB3  GLU  48           2HB      GLU  48  -3.011   2.915  -9.086
  326    HG2  GLU  48           1HG      GLU  48  -5.179   4.402  -9.283
  327    HG3  GLU  48           2HG      GLU  48  -4.328   5.512  -8.227
  328    HE2  GLU  48           HE       GLU  48  -2.676   6.993 -10.230
  329    H    PHE  49           H        PHE  49  -5.125   1.326  -5.384
  330    HA   PHE  49           HA       PHE  49  -2.771  -0.417  -5.611
  331    HB2  PHE  49           1HB      PHE  49  -4.136   1.091  -3.423
  332    HB3  PHE  49           2HB      PHE  49  -3.858  -0.588  -3.003
  333    HD1  PHE  49           1HD      PHE  49  -2.231   2.589  -3.876
  334    HD2  PHE  49           2HD      PHE  49  -1.637  -1.416  -2.606
  335    HE1  PHE  49           1HE      PHE  49   0.144   3.132  -3.274
  336    HE2  PHE  49           2HE      PHE  49   0.739  -0.873  -2.004
  337    HZ   PHE  49           HZ       PHE  49   1.601   1.395  -2.345
  338    H    GLU  50           H        GLU  50  -3.079  -2.641  -5.586
  339    HA   GLU  50           HA       GLU  50  -5.814  -3.518  -5.118
  340    HB2  GLU  50           1HB      GLU  50  -5.813  -4.915  -7.068
  341    HB3  GLU  50           2HB      GLU  50  -5.274  -3.334  -7.599
  342    HG2  GLU  50           1HG      GLU  50  -2.855  -4.201  -7.230
  343    HG3  GLU  50           2HG      GLU  50  -3.561  -5.799  -7.082
  344    HE2  GLU  50           HE       GLU  50  -4.949  -5.737 -10.260
  345    H    ALA  51           H        ALA  51  -5.995  -5.795  -4.424
  346    HA   ALA  51           HA       ALA  51  -3.723  -6.530  -2.813
  347    HB1  ALA  51           1HB      ALA  51  -6.617  -7.232  -3.037
  348    HB2  ALA  51           2HB      ALA  51  -5.535  -8.489  -2.392
  349    HB3  ALA  51           3HB      ALA  51  -5.629  -6.901  -1.594
  350    H    ALA  52           H        ALA  52  -2.068  -7.696  -3.644
  351    HA   ALA  52           HA       ALA  52  -2.716 -10.004  -5.266
  352    HB1  ALA  52           1HB      ALA  52  -2.494  -8.253  -6.954
  353    HB2  ALA  52           2HB      ALA  52  -0.946  -7.730  -6.249
  354    HB3  ALA  52           3HB      ALA  52  -1.076  -9.327  -7.023
  Start of MODEL   10
    1    H1   MET   1           H        MET   1  -1.162 -10.616   8.399
    2    HA   MET   1           HA       MET   1  -3.519 -11.418   7.611
    3    HB2  MET   1           1HB      MET   1  -2.213  -8.784   7.987
    4    HB3  MET   1           2HB      MET   1  -3.596  -8.673   6.916
    5    HG2  MET   1           1HG      MET   1  -5.093  -9.050   8.611
    6    HG3  MET   1           2HG      MET   1  -4.136 -10.350   9.294
    7    HE1  MET   1           3HE      MET   1  -4.991  -6.540   9.420
    8    HE2  MET   1           1HE      MET   1  -3.474  -5.853  10.050
    9    HE3  MET   1           2HE      MET   1  -3.506  -6.614   8.441
   10    H    LYS   2           H        LYS   2  -2.202  -8.787   5.526
   11    HA   LYS   2           HA       LYS   2  -2.045 -10.257   3.171
   12    HB2  LYS   2           1HB      LYS   2  -4.094  -9.693   2.024
   13    HB3  LYS   2           2HB      LYS   2  -4.468 -10.593   3.480
   14    HG2  LYS   2           1HG      LYS   2  -5.990  -8.868   3.743
   15    HG3  LYS   2           2HG      LYS   2  -4.621  -8.130   4.551
   16    HD2  LYS   2           1HD      LYS   2  -4.574  -6.457   3.023
   17    HD3  LYS   2           2HD      LYS   2  -4.359  -7.611   1.722
   18    HE2  LYS   2           1HE      LYS   2  -6.384  -6.552   1.130
   19    HE3  LYS   2           2HE      LYS   2  -6.942  -8.015   1.919
   20    HZ1  LYS   2           2HZ      LYS   2  -6.876  -6.481   4.030
   21    HZ3  LYS   2           1HZ      LYS   2  -8.153  -6.402   3.022
   22    H    LYS   3           H        LYS   3  -1.083  -8.999   1.580
   23    HA   LYS   3           HA       LYS   3  -0.981  -6.124   2.167
   24    HB2  LYS   3           1HB      LYS   3   1.398  -6.239   1.282
   25    HB3  LYS   3           2HB      LYS   3   1.120  -6.895   2.883
   26    HG2  LYS   3           1HG      LYS   3   0.704  -8.935   0.806
   27    HG3  LYS   3           2HG      LYS   3   2.306  -8.232   0.696
   28    HD2  LYS   3           1HD      LYS   3   2.877  -9.693   2.351
   29    HD3  LYS   3           2HD      LYS   3   2.056  -8.588   3.434
   30    HE2  LYS   3           1HE      LYS   3   1.194 -10.862   3.786
   31    HE3  LYS   3           2HE      LYS   3  -0.077  -9.857   3.119
   32    HZ1  LYS   3           2HZ      LYS   3   1.240 -12.122   1.915
   33    HZ3  LYS   3           1HZ      LYS   3   1.099 -10.861   0.894
   34    H    TYR   4           H        TYR   4  -0.679  -4.743   0.271
   35    HA   TYR   4           HA       TYR   4  -1.725  -6.064  -2.137
   36    HB2  TYR   4           1HB      TYR   4  -1.679  -3.071  -1.749
   37    HB3  TYR   4           2HB      TYR   4  -2.971  -4.062  -2.396
   38    HD1  TYR   4           2HD      TYR   4  -1.339  -2.979   0.767
   39    HD2  TYR   4           1HD      TYR   4  -4.785  -4.771  -1.028
   40    HE1  TYR   4           2HE      TYR   4  -2.587  -2.809   2.975
   41    HE2  TYR   4           1HE      TYR   4  -6.021  -4.595   1.186
   42    HH   TYR   4           HH       TYR   4  -4.376  -3.723   4.104
   43    H    VAL   5           H        VAL   5  -1.202  -4.115  -4.033
   44    HA   VAL   5           HA       VAL   5   1.587  -3.404  -3.872
   45    HB   VAL   5           HB       VAL   5   0.545  -5.519  -5.755
   46   HG11  VAL   5          1HG1      VAL   5   2.487  -5.341  -7.093
   47   HG12  VAL   5          2HG1      VAL   5   1.895  -3.673  -6.901
   48   HG13  VAL   5          3HG1      VAL   5   3.282  -4.242  -5.941
   49   HG21  VAL   5          3HG2      VAL   5   2.524  -6.779  -4.911
   50   HG22  VAL   5          1HG2      VAL   5   2.841  -5.450  -3.770
   51   HG23  VAL   5          2HG2      VAL   5   1.337  -6.393  -3.643
   52    H    CYS   6           H        CYS   6   2.007  -1.584  -5.096
   53    HA   CYS   6           HA       CYS   6  -0.205  -0.173  -6.067
   54    HB2  CYS   6           1HB      CYS   6   1.577   1.096  -5.236
   55    HB3  CYS   6           2HB      CYS   6   2.769   0.244  -6.197
   56    H    THR   7           H        THR   7  -0.964   0.128  -8.205
   57    HA   THR   7           HA       THR   7  -0.205  -1.928 -10.070
   58    HB   THR   7           HB       THR   7  -2.106  -0.917 -11.368
   59    HG1  THR   7           1HG      THR   7  -2.075   1.270 -10.867
   60   HG21  THR   7          3HG2      THR   7  -2.466  -1.406  -8.385
   61   HG22  THR   7          1HG2      THR   7  -3.844  -0.892  -9.387
   62   HG23  THR   7          2HG2      THR   7  -3.005  -2.419  -9.746
   63    H    VAL   8           H        VAL   8  -0.186   1.701 -10.106
   64    HA   VAL   8           HA       VAL   8   0.902   2.158 -12.505
   65    HB   VAL   8           HB       VAL   8   1.597   3.433  -9.854
   66   HG11  VAL   8          1HG1      VAL   8   2.325   4.187 -12.675
   67   HG12  VAL   8          2HG1      VAL   8   2.056   5.453 -11.453
   68   HG13  VAL   8          3HG1      VAL   8   3.317   4.224 -11.198
   69   HG21  VAL   8          3HG2      VAL   8  -0.760   3.567 -10.294
   70   HG22  VAL   8          1HG2      VAL   8  -0.050   5.163 -10.636
   71   HG23  VAL   8          2HG2      VAL   8  -0.474   4.072 -11.977
   72    H    CYS   9           H        CYS   9   3.068   1.953  -9.596
   73    HA   CYS   9           HA       CYS   9   5.135   0.965 -11.387
   74    HB2  CYS   9           1HB      CYS   9   6.709   1.764  -9.916
   75    HB3  CYS   9           2HB      CYS   9   5.429   2.954  -9.782
   76    H    GLY  10           H        GLY  10   6.620  -0.277  -9.104
   77    HA2  GLY  10           1HA      GLY  10   4.891  -2.639  -8.663
   78    HA3  GLY  10           2HA      GLY  10   6.595  -2.738  -9.059
   79    H    TYR  11           H        TYR  11   4.417  -1.070  -6.667
   80    HA   TYR  11           HA       TYR  11   6.506  -1.544  -4.651
   81    HB2  TYR  11           1HB      TYR  11   5.766   0.841  -5.264
   82    HB3  TYR  11           2HB      TYR  11   4.127   0.411  -4.818
   83    HD1  TYR  11           2HD      TYR  11   7.494  -0.035  -3.200
   84    HD2  TYR  11           1HD      TYR  11   3.477   1.387  -2.825
   85    HE1  TYR  11           2HE      TYR  11   7.958   0.664  -0.800
   86    HE2  TYR  11           1HE      TYR  11   3.954   2.081  -0.426
   87    HH   TYR  11           HH       TYR  11   6.470   2.739   0.790
   88    H    GLU  12           H        GLU  12   5.769  -2.098  -2.452
   89    HA   GLU  12           HA       GLU  12   3.098  -3.234  -2.421
   90    HB2  GLU  12           1HB      GLU  12   3.919  -5.309  -1.383
   91    HB3  GLU  12           2HB      GLU  12   4.656  -5.083  -2.956
   92    HG2  GLU  12           1HG      GLU  12   6.668  -4.044  -1.798
   93    HG3  GLU  12           2HG      GLU  12   5.938  -4.449  -0.258
   94    HE2  GLU  12           HE       GLU  12   8.443  -6.443  -1.358
   95    H    TYR  13           H        TYR  13   2.009  -2.914  -0.478
   96    HA   TYR  13           HA       TYR  13   3.573  -1.556   1.607
   97    HB2  TYR  13           1HB      TYR  13   1.762  -0.197   0.660
   98    HB3  TYR  13           2HB      TYR  13   0.673  -1.568   0.605
   99    HD1  TYR  13           2HD      TYR  13   2.502   0.619   3.030
  100    HD2  TYR  13           1HD      TYR  13  -0.883  -1.900   2.326
  101    HE1  TYR  13           2HE      TYR  13   1.520   1.301   5.273
  102    HE2  TYR  13           1HE      TYR  13  -1.854  -1.210   4.572
  103    HH   TYR  13           HH       TYR  13  -0.386  -0.168   6.924
  104    H    ASP  14           H        ASP  14   3.182  -2.084   3.840
  105    HA   ASP  14           HA       ASP  14   1.945  -4.710   4.126
  106    HB2  ASP  14           1HB      ASP  14   4.596  -3.873   4.725
  107    HB3  ASP  14           2HB      ASP  14   3.795  -3.989   6.280
  108    HD2  ASP  14           HD       ASP  14   3.841  -5.721   3.376
  109    HA   PRO  15           HA       PRO  15  -0.522  -2.223   6.861
  110    HB2  PRO  15           1HB      PRO  15  -2.516  -4.045   7.280
  111    HB3  PRO  15           2HB      PRO  15  -2.500  -2.936   5.923
  112    HG2  PRO  15           1HG      PRO  15  -1.911  -5.833   5.958
  113    HG3  PRO  15           2HG      PRO  15  -2.314  -4.811   4.592
  114    HD2  PRO  15           1HD      PRO  15   0.290  -5.787   5.295
  115    HD3  PRO  15           2HD      PRO  15  -0.097  -4.673   4.000
  116    H    ALA  16           H        ALA  16   0.562  -5.461   7.510
  117    HA   ALA  16           HA       ALA  16   0.036  -5.252  10.306
  118    HB1  ALA  16           1HB      ALA  16   0.647  -7.454  10.334
  119    HB2  ALA  16           2HB      ALA  16   0.423  -7.308   8.574
  120    HB3  ALA  16           3HB      ALA  16   2.054  -7.186   9.277
  121    H    GLU  17           H        GLU  17   2.207  -3.681   8.277
  122    HA   GLU  17           HA       GLU  17   4.175  -3.541  10.426
  123    HB2  GLU  17           1HB      GLU  17   4.771  -4.401   7.987
  124    HB3  GLU  17           2HB      GLU  17   4.782  -2.695   7.587
  125    HG2  GLU  17           1HG      GLU  17   7.033  -3.154   8.199
  126    HG3  GLU  17           2HG      GLU  17   6.360  -2.377   9.618
  127    HE2  GLU  17           HE       GLU  17   6.590  -6.356   9.523
  128    H    GLY  18           H        GLY  18   2.719  -1.608   7.707
  129    HA2  GLY  18           1HA      GLY  18   1.530   0.421   8.422
  130    HA3  GLY  18           2HA      GLY  18   2.894   0.765   9.467
  131    H    ASP  19           H        ASP  19   3.859   2.575   8.607
  132    HA   ASP  19           HA       ASP  19   5.327   2.303   6.270
  133    HB2  ASP  19           1HB      ASP  19   2.733   2.834   5.610
  134    HB3  ASP  19           2HB      ASP  19   3.292   4.475   5.864
  135    HD2  ASP  19           HD       ASP  19   4.999   2.293   2.976
  136    HA   PRO  20           HA       PRO  20   6.801   5.575   8.918
  137    HB2  PRO  20           1HB      PRO  20   9.438   5.406   8.219
  138    HB3  PRO  20           2HB      PRO  20   8.721   4.441   9.494
  139    HG2  PRO  20           1HG      PRO  20   9.505   3.618   6.765
  140    HG3  PRO  20           2HG      PRO  20   9.195   2.614   8.167
  141    HD2  PRO  20           1HD      PRO  20   7.446   3.029   5.932
  142    HD3  PRO  20           2HD      PRO  20   7.090   2.119   7.387
  143    H    ASP  21           H        ASP  21   7.433   5.243   5.512
  144    HA   ASP  21           HA       ASP  21   8.552   7.499   4.822
  145    HB2  ASP  21           1HB      ASP  21   7.035   5.633   3.511
  146    HB3  ASP  21           2HB      ASP  21   5.961   7.012   3.393
  147    HD2  ASP  21           HD       ASP  21   9.353   6.493   1.552
  148    H    ASN  22           H        ASN  22   5.048   7.114   5.707
  149    HA   ASN  22           HA       ASN  22   4.841  10.010   5.769
  150    HB2  ASN  22           1HB      ASN  22   2.936   7.749   5.280
  151    HB3  ASN  22           2HB      ASN  22   2.277   9.072   6.222
  152   HD21  ASN  22          1HD2      ASN  22   4.310   8.511   3.351
  153   HD22  ASN  22          2HD2      ASN  22   3.614   9.736   2.345
  154    H    GLY  23           H        GLY  23   4.469   6.955   7.624
  155    HA2  GLY  23           1HA      GLY  23   5.103   7.059   9.965
  156    HA3  GLY  23           2HA      GLY  23   4.192   8.550  10.101
  157    H    VAL  24           H        VAL  24   3.978   5.008   9.709
  158    HA   VAL  24           HA       VAL  24   1.229   5.181  10.700
  159    HB   VAL  24           HB       VAL  24   2.253   3.650   8.316
  160   HG11  VAL  24          1HG1      VAL  24   1.086   1.988   9.571
  161   HG12  VAL  24          2HG1      VAL  24  -0.232   3.117   9.968
  162   HG13  VAL  24          3HG1      VAL  24  -0.023   2.546   8.295
  163   HG21  VAL  24          3HG2      VAL  24   0.071   5.686   8.794
  164   HG22  VAL  24          1HG2      VAL  24   1.430   5.749   7.645
  165   HG23  VAL  24          2HG2      VAL  24   0.074   4.631   7.360
  166    H    LYS  25           H        LYS  25   0.540   3.199  11.847
  167    HA   LYS  25           HA       LYS  25   2.866   1.956  13.104
  168    HB2  LYS  25           1HB      LYS  25  -0.008   2.310  13.985
  169    HB3  LYS  25           2HB      LYS  25   1.128   1.281  14.834
  170    HG2  LYS  25           1HG      LYS  25   2.700   3.292  14.996
  171    HG3  LYS  25           2HG      LYS  25   1.412   4.280  14.335
  172    HD2  LYS  25           1HD      LYS  25   0.625   2.554  16.645
  173    HD3  LYS  25           2HD      LYS  25   1.779   3.818  17.022
  174    HE2  LYS  25           1HE      LYS  25  -0.562   4.622  15.322
  175    HE3  LYS  25           2HE      LYS  25  -0.916   4.226  16.992
  176    HZ1  LYS  25           2HZ      LYS  25   1.390   5.873  16.867
  177    HZ3  LYS  25           1HZ      LYS  25  -0.023   6.176  17.618
  178    HA   PRO  26           HA       PRO  26   1.947  -1.892  11.383
  179    HB2  PRO  26           1HB      PRO  26   2.703  -3.652  13.333
  180    HB3  PRO  26           2HB      PRO  26   3.843  -2.853  12.268
  181    HG2  PRO  26           1HG      PRO  26   3.257  -2.294  15.111
  182    HG3  PRO  26           2HG      PRO  26   4.652  -1.818  14.164
  183    HD2  PRO  26           1HD      PRO  26   2.445  -0.152  14.924
  184    HD3  PRO  26           2HD      PRO  26   3.781   0.291  13.880
  185    H    GLY  27           H        GLY  27   0.410  -3.485  11.023
  186    HA2  GLY  27           1HA      GLY  27  -1.369  -4.805  11.707
  187    HA3  GLY  27           2HA      GLY  27  -1.509  -3.884  13.192
  188    H    THR  28           H        THR  28  -1.098  -1.412  11.133
  189    HA   THR  28           HA       THR  28  -3.842  -0.732  11.083
  190    HB   THR  28           HB       THR  28  -1.363   0.440   9.715
  191    HG1  THR  28           1HG      THR  28  -1.604   1.832  11.655
  192   HG21  THR  28          3HG2      THR  28  -3.092   1.612   8.621
  193   HG22  THR  28          1HG2      THR  28  -4.237   1.367   9.962
  194   HG23  THR  28          2HG2      THR  28  -2.935   2.572  10.112
  195    H    SER  29           H        SER  29  -5.127  -0.178   9.150
  196    HA   SER  29           HA       SER  29  -4.595  -2.176   7.095
  197    HB2  SER  29           1HB      SER  29  -6.880  -2.577   6.910
  198    HB3  SER  29           2HB      SER  29  -6.757  -2.202   8.618
  199    HG   SER  29           HG       SER  29  -7.491  -0.067   8.211
  200    H    PHE  30           H        PHE  30  -4.894  -1.563   4.852
  201    HA   PHE  30           HA       PHE  30  -4.050   1.010   4.243
  202    HB2  PHE  30           1HB      PHE  30  -4.070  -1.288   2.931
  203    HB3  PHE  30           2HB      PHE  30  -5.706  -0.866   2.467
  204    HD1  PHE  30           2HD      PHE  30  -6.121   1.035   0.966
  205    HD2  PHE  30           1HD      PHE  30  -2.173  -0.157   1.965
  206    HE1  PHE  30           2HE      PHE  30  -5.230   2.371  -0.963
  207    HE2  PHE  30           1HE      PHE  30  -1.281   1.180   0.036
  208    HZ   PHE  30           HZ       PHE  30  -2.821   2.428  -1.404
  209    H    ASP  31           H        ASP  31  -7.307  -0.390   4.632
  210    HA   ASP  31           HA       ASP  31  -8.706   1.544   3.252
  211    HB2  ASP  31           1HB      ASP  31  -9.952  -0.356   3.873
  212    HB3  ASP  31           2HB      ASP  31  -9.319  -0.366   5.507
  213    HD2  ASP  31           HD       ASP  31 -11.734   1.133   3.502
  214    H    ASP  32           H        ASP  32  -6.829   1.710   6.145
  215    HA   ASP  32           HA       ASP  32  -8.386   3.910   7.199
  216    HB2  ASP  32           1HB      ASP  32  -6.888   1.835   8.380
  217    HB3  ASP  32           2HB      ASP  32  -5.872   3.247   8.591
  218    HD2  ASP  32           HD       ASP  32  -7.696   5.121   9.041
  219    H    LEU  33           H        LEU  33  -5.376   3.026   5.531
  220    HA   LEU  33           HA       LEU  33  -3.713   5.104   6.069
  221    HB2  LEU  33           1HB      LEU  33  -4.221   3.448   3.627
  222    HB3  LEU  33           2HB      LEU  33  -3.079   4.775   3.552
  223    HG   LEU  33           HG       LEU  33  -2.930   2.408   5.439
  224   HD11  LEU  33          1HD1      LEU  33  -0.709   2.181   3.994
  225   HD12  LEU  33          2HD1      LEU  33  -2.253   1.457   3.485
  226   HD13  LEU  33          3HD1      LEU  33  -1.719   3.002   2.780
  227   HD21  LEU  33          3HD2      LEU  33  -0.595   3.347   5.869
  228   HD22  LEU  33          1HD2      LEU  33  -1.199   4.864   5.160
  229   HD23  LEU  33          2HD2      LEU  33  -1.968   4.196   6.619
  230    HA   PRO  34           HA       PRO  34  -5.628   8.653   4.529
  231    HB2  PRO  34           1HB      PRO  34  -3.477  10.300   4.167
  232    HB3  PRO  34           2HB      PRO  34  -4.218  10.021   5.730
  233    HG2  PRO  34           1HG      PRO  34  -1.670   8.960   4.671
  234    HG3  PRO  34           2HG      PRO  34  -2.215   9.048   6.334
  235    HD2  PRO  34           1HD      PRO  34  -2.159   6.714   4.668
  236    HD3  PRO  34           2HD      PRO  34  -2.811   6.828   6.290
  237    H    ALA  35           H        ALA  35  -5.676  10.330   2.719
  238    HA   ALA  35           HA       ALA  35  -5.504   8.782   0.309
  239    HB1  ALA  35           1HB      ALA  35  -7.187  10.718   1.216
  240    HB2  ALA  35           2HB      ALA  35  -6.091  11.698   0.213
  241    HB3  ALA  35           3HB      ALA  35  -6.970  10.329  -0.507
  242    H    ASP  36           H        ASP  36  -3.836  11.604   1.813
  243    HA   ASP  36           HA       ASP  36  -2.263  12.152  -0.416
  244    HB2  ASP  36           1HB      ASP  36  -2.102  12.764   2.544
  245    HB3  ASP  36           2HB      ASP  36  -0.726  13.148   1.529
  246    HD2  ASP  36           HD       ASP  36  -2.159  15.929   2.084
  247    H    TRP  37           H        TRP  37  -2.379   9.421   1.554
  248    HA   TRP  37           HA       TRP  37   0.305   8.904   2.135
  249    HB2  TRP  37           1HB      TRP  37  -1.510   7.723   3.202
  250    HB3  TRP  37           2HB      TRP  37  -2.033   7.047   1.672
  251    HD1  TRP  37           HD       TRP  37   0.785   6.651   4.281
  252    HE1  TRP  37           1HE      TRP  37   2.036   4.346   3.990
  253    HE3  TRP  37           3HE      TRP  37  -1.529   5.343  -0.054
  254    HZ2  TRP  37           2HZ      TRP  37   1.921   2.281   2.024
  255    HZ3  TRP  37           3HZ      TRP  37  -0.902   3.166  -1.094
  256    HH2  TRP  37           HH       TRP  37   0.758   1.657  -0.125
  257    H    VAL  38           H        VAL  38  -1.824   7.904  -0.640
  258    HA   VAL  38           HA       VAL  38  -1.293   6.953  -2.591
  259    HB   VAL  38           HB       VAL  38   0.191   8.365  -3.963
  260   HG11  VAL  38          1HG1      VAL  38  -1.242  10.511  -2.618
  261   HG12  VAL  38          2HG1      VAL  38  -1.521   9.780  -4.217
  262   HG13  VAL  38          3HG1      VAL  38  -2.244   9.047  -2.765
  263   HG21  VAL  38          3HG2      VAL  38   0.669   9.997  -1.451
  264   HG22  VAL  38          1HG2      VAL  38   1.842   8.834  -2.116
  265   HG23  VAL  38          2HG2      VAL  38   1.359  10.256  -3.072
  266    H    CYS  39           H        CYS  39   1.242   6.858  -4.009
  267    HA   CYS  39           HA       CYS  39   2.509   4.803  -2.366
  268    HB2  CYS  39           1HB      CYS  39   1.723   3.880  -4.388
  269    HB3  CYS  39           2HB      CYS  39   2.323   5.222  -5.342
  270    HA   PRO  40           HA       PRO  40   5.663   7.917  -2.150
  271    HB2  PRO  40           1HB      PRO  40   6.983   6.886   0.009
  272    HB3  PRO  40           2HB      PRO  40   5.637   7.999   0.151
  273    HG2  PRO  40           1HG      PRO  40   5.689   5.082   0.632
  274    HG3  PRO  40           2HG      PRO  40   4.507   6.261   1.163
  275    HD2  PRO  40           1HD      PRO  40   4.219   4.396  -0.997
  276    HD3  PRO  40           2HD      PRO  40   3.086   5.652  -0.539
  277    H    VAL  41           H        VAL  41   5.985   6.597  -4.315
  278    HA   VAL  41           HA       VAL  41   8.781   6.033  -4.277
  279    HB   VAL  41           HB       VAL  41   8.818   3.821  -4.255
  280   HG11  VAL  41          1HG1      VAL  41   6.647   2.670  -3.422
  281   HG12  VAL  41          2HG1      VAL  41   7.428   3.882  -2.378
  282   HG13  VAL  41          3HG1      VAL  41   5.991   4.323  -3.332
  283   HG21  VAL  41          3HG2      VAL  41   8.001   3.818  -6.603
  284   HG22  VAL  41          1HG2      VAL  41   7.481   2.386  -5.682
  285   HG23  VAL  41          2HG2      VAL  41   6.332   3.709  -5.994
  286    H    CYS  42           H        CYS  42   5.595   5.900  -5.946
  287    HA   CYS  42           HA       CYS  42   7.000   6.822  -8.349
  288    HB2  CYS  42           1HB      CYS  42   5.540   5.641  -9.733
  289    HB3  CYS  42           2HB      CYS  42   5.997   4.507  -8.477
  290    H    GLY  43           H        GLY  43   3.969   6.862  -6.363
  291    HA2  GLY  43           1HA      GLY  43   3.382   9.275  -5.825
  292    HA3  GLY  43           2HA      GLY  43   3.282   9.470  -7.563
  293    H    ALA  44           H        ALA  44   2.156   6.911  -8.274
  294    HA   ALA  44           HA       ALA  44  -0.404   7.223  -8.461
  295    HB1  ALA  44           1HB      ALA  44   0.577   4.582  -7.345
  296    HB2  ALA  44           2HB      ALA  44  -0.658   4.875  -8.593
  297    HB3  ALA  44           3HB      ALA  44   1.062   5.150  -8.960
  298    HA   PRO  45           HA       PRO  45  -2.128   7.737  -4.514
  299    HB2  PRO  45           1HB      PRO  45  -4.778   7.649  -5.173
  300    HB3  PRO  45           2HB      PRO  45  -3.795   9.089  -5.349
  301    HG2  PRO  45           1HG      PRO  45  -4.765   7.241  -7.442
  302    HG3  PRO  45           2HG      PRO  45  -4.162   8.877  -7.616
  303    HD2  PRO  45           1HD      PRO  45  -2.752   6.455  -8.226
  304    HD3  PRO  45           2HD      PRO  45  -2.111   8.084  -8.289
  305    H    LYS  46           H        LYS  46  -3.534   6.753  -2.835
  306    HA   LYS  46           HA       LYS  46  -2.933   4.023  -2.726
  307    HB2  LYS  46           1HB      LYS  46  -3.949   4.056  -0.623
  308    HB3  LYS  46           2HB      LYS  46  -3.332   5.684  -0.820
  309    HG2  LYS  46           1HG      LYS  46  -5.502   6.580  -1.301
  310    HG3  LYS  46           2HG      LYS  46  -6.177   5.000  -1.643
  311    HD2  LYS  46           1HD      LYS  46  -5.612   4.433   0.850
  312    HD3  LYS  46           2HD      LYS  46  -5.412   6.161   1.062
  313    HE2  LYS  46           1HE      LYS  46  -7.923   5.165  -0.295
  314    HE3  LYS  46           2HE      LYS  46  -7.790   4.985   1.443
  315    HZ1  LYS  46           2HZ      LYS  46  -7.632   7.526  -0.079
  316    HZ3  LYS  46           1HZ      LYS  46  -7.245   7.430   1.500
  317    H    SER  47           H        SER  47  -5.459   5.803  -4.323
  318    HA   SER  47           HA       SER  47  -7.382   3.749  -4.237
  319    HB2  SER  47           1HB      SER  47  -8.046   6.067  -4.629
  320    HB3  SER  47           2HB      SER  47  -7.036   6.168  -6.057
  321    HG   SER  47           HG       SER  47  -8.608   4.070  -6.510
  322    H    GLU  48           H        GLU  48  -4.368   4.010  -5.773
  323    HA   GLU  48           HA       GLU  48  -5.258   2.348  -7.993
  324    HB2  GLU  48           1HB      GLU  48  -2.693   3.959  -7.634
  325    HB3  GLU  48           2HB      GLU  48  -3.030   2.936  -9.016
  326    HG2  GLU  48           1HG      GLU  48  -5.255   4.347  -9.214
  327    HG3  GLU  48           2HG      GLU  48  -4.427   5.498  -8.184
  328    HE2  GLU  48           HE       GLU  48  -3.789   6.614 -11.383
  329    H    PHE  49           H        PHE  49  -5.064   1.284  -5.307
  330    HA   PHE  49           HA       PHE  49  -2.714  -0.448  -5.632
  331    HB2  PHE  49           1HB      PHE  49  -4.073   0.957  -3.322
  332    HB3  PHE  49           2HB      PHE  49  -3.478  -0.656  -2.983
  333    HD1  PHE  49           2HD      PHE  49  -2.446   2.707  -4.131
  334    HD2  PHE  49           1HD      PHE  49  -1.176  -1.053  -2.627
  335    HE1  PHE  49           2HE      PHE  49  -0.145   3.635  -3.756
  336    HE2  PHE  49           1HE      PHE  49   1.126  -0.125  -2.252
  337    HZ   PHE  49           HZ       PHE  49   1.614   2.208  -2.821
  338    H    GLU  50           H        GLU  50  -3.056  -2.647  -5.701
  339    HA   GLU  50           HA       GLU  50  -5.747  -3.524  -5.012
  340    HB2  GLU  50           1HB      GLU  50  -5.800  -3.509  -7.391
  341    HB3  GLU  50           2HB      GLU  50  -4.155  -4.096  -7.528
  342    HG2  GLU  50           1HG      GLU  50  -4.750  -6.313  -7.068
  343    HG3  GLU  50           2HG      GLU  50  -6.137  -5.858  -6.098
  344    HE2  GLU  50           HE       GLU  50  -6.003  -6.877  -9.698
  345    H    ALA  51           H        ALA  51  -5.892  -5.594  -4.018
  346    HA   ALA  51           HA       ALA  51  -3.645  -6.382  -2.556
  347    HB1  ALA  51           1HB      ALA  51  -5.583  -8.505  -2.794
  348    HB2  ALA  51           2HB      ALA  51  -5.283  -7.415  -1.419
  349    HB3  ALA  51           3HB      ALA  51  -6.435  -6.945  -2.693
  350    H    ALA  52           H        ALA  52  -2.002  -7.813  -2.956
  351    HA   ALA  52           HA       ALA  52  -1.699  -8.745  -5.630
  352    HB1  ALA  52           1HB      ALA  52  -0.053  -9.482  -3.185
  353    HB2  ALA  52           2HB      ALA  52   0.465  -9.447  -4.888
  354    HB3  ALA  52           3HB      ALA  52   0.116  -7.925  -4.033
  Start of MODEL   11
    1    H1   MET   1           H        MET   1  -3.510  -8.014   7.022
    2    HA   MET   1           HA       MET   1  -5.115  -9.982   7.458
    3    HB2  MET   1           1HB      MET   1  -6.621  -8.021   5.645
    4    HB3  MET   1           2HB      MET   1  -7.057  -9.714   5.757
    5    HG2  MET   1           1HG      MET   1  -6.862  -8.879   8.450
    6    HG3  MET   1           2HG      MET   1  -7.618  -7.523   7.639
    7    HE1  MET   1           3HE      MET   1  -8.742 -10.219   9.762
    8    HE2  MET   1           1HE      MET   1  -9.418 -11.489   8.715
    9    HE3  MET   1           2HE      MET   1  -7.677 -11.123   8.658
   10    H    LYS   2           H        LYS   2  -4.519  -7.901   4.537
   11    HA   LYS   2           HA       LYS   2  -2.954 -10.097   3.434
   12    HB2  LYS   2           1HB      LYS   2  -5.450 -10.048   2.623
   13    HB3  LYS   2           2HB      LYS   2  -4.921  -8.694   1.645
   14    HG2  LYS   2           1HG      LYS   2  -3.910 -10.084   0.166
   15    HG3  LYS   2           2HG      LYS   2  -2.946 -10.807   1.438
   16    HD2  LYS   2           1HD      LYS   2  -4.135 -12.711   1.066
   17    HD3  LYS   2           2HD      LYS   2  -5.454 -11.923   1.910
   18    HE2  LYS   2           1HE      LYS   2  -5.320 -11.042  -0.890
   19    HE3  LYS   2           2HE      LYS   2  -5.447 -12.786  -0.785
   20    HZ1  LYS   2           2HZ      LYS   2  -7.647 -11.831  -0.752
   21    HZ3  LYS   2           1HZ      LYS   2  -7.291 -10.838   0.489
   22    H    LYS   3           H        LYS   3  -1.911  -9.169   1.233
   23    HA   LYS   3           HA       LYS   3  -1.063  -6.425   1.858
   24    HB2  LYS   3           1HB      LYS   3   0.531  -8.888   1.303
   25    HB3  LYS   3           2HB      LYS   3   1.115  -7.381   0.627
   26    HG2  LYS   3           1HG      LYS   3   2.122  -7.236   2.707
   27    HG3  LYS   3           2HG      LYS   3   0.599  -6.465   3.102
   28    HD2  LYS   3           1HD      LYS   3   0.452  -9.406   3.326
   29    HD3  LYS   3           2HD      LYS   3   1.686  -8.723   4.367
   30    HE2  LYS   3           1HE      LYS   3  -0.578  -7.000   4.616
   31    HE3  LYS   3           2HE      LYS   3  -1.215  -8.632   4.665
   32    HZ1  LYS   3           2HZ      LYS   3  -0.567  -8.513   6.823
   33    HZ3  LYS   3           1HZ      LYS   3   0.497  -7.304   6.585
   34    H    TYR   4           H        TYR   4  -0.727  -5.018   0.078
   35    HA   TYR   4           HA       TYR   4  -1.882  -6.050  -2.425
   36    HB2  TYR   4           1HB      TYR   4  -1.669  -3.113  -1.695
   37    HB3  TYR   4           2HB      TYR   4  -2.959  -3.922  -2.562
   38    HD1  TYR   4           1HD      TYR   4  -1.510  -3.432   0.836
   39    HD2  TYR   4           2HD      TYR   4  -4.927  -4.629  -1.444
   40    HE1  TYR   4           1HE      TYR   4  -2.917  -3.472   2.953
   41    HE2  TYR   4           2HE      TYR   4  -6.323  -4.665   0.681
   42    HH   TYR   4           HH       TYR   4  -6.287  -3.617   2.873
   43    H    VAL   5           H        VAL   5  -1.226  -4.004  -4.154
   44    HA   VAL   5           HA       VAL   5   1.548  -3.344  -3.901
   45    HB   VAL   5           HB       VAL   5   0.628  -5.445  -5.866
   46   HG11  VAL   5          1HG1      VAL   5   2.748  -3.438  -6.106
   47   HG12  VAL   5          2HG1      VAL   5   3.351  -5.106  -6.257
   48   HG13  VAL   5          3HG1      VAL   5   2.056  -4.527  -7.332
   49   HG21  VAL   5          3HG2      VAL   5   2.639  -6.660  -4.870
   50   HG22  VAL   5          1HG2      VAL   5   2.634  -5.414  -3.599
   51   HG23  VAL   5          2HG2      VAL   5   1.219  -6.472  -3.814
   52    H    CYS   6           H        CYS   6   2.027  -1.541  -5.142
   53    HA   CYS   6           HA       CYS   6  -0.111  -0.083  -6.142
   54    HB2  CYS   6           1HB      CYS   6   1.757   1.116  -5.397
   55    HB3  CYS   6           2HB      CYS   6   2.874   0.184  -6.374
   56    H    THR   7           H        THR   7  -0.986   0.113  -8.228
   57    HA   THR   7           HA       THR   7   0.040  -1.817 -10.187
   58    HB   THR   7           HB       THR   7  -2.253  -1.671 -11.113
   59    HG1  THR   7           1HG      THR   7  -3.148   0.309 -10.681
   60   HG21  THR   7          3HG2      THR   7  -3.467  -1.814  -8.607
   61   HG22  THR   7          1HG2      THR   7  -2.717  -3.192  -9.447
   62   HG23  THR   7          2HG2      THR   7  -1.787  -2.273  -8.239
   63    H    VAL   8           H        VAL   8   1.617   0.477  -9.822
   64    HA   VAL   8           HA       VAL   8   1.219   1.684 -12.446
   65    HB   VAL   8           HB       VAL   8   1.764   3.284  -9.939
   66   HG11  VAL   8          1HG1      VAL   8   2.725   4.568 -11.575
   67   HG12  VAL   8          2HG1      VAL   8   1.682   3.916 -12.861
   68   HG13  VAL   8          3HG1      VAL   8   1.041   5.126 -11.724
   69   HG21  VAL   8          3HG2      VAL   8  -0.560   2.377 -10.026
   70   HG22  VAL   8          1HG2      VAL   8  -0.484   4.154 -10.112
   71   HG23  VAL   8          2HG2      VAL   8  -0.785   3.203 -11.587
   72    H    CYS   9           H        CYS   9   3.283   1.225  -9.516
   73    HA   CYS   9           HA       CYS   9   5.565   1.143 -11.352
   74    HB2  CYS   9           1HB      CYS   9   6.946   2.231  -9.833
   75    HB3  CYS   9           2HB      CYS   9   5.459   3.159  -9.814
   76    H    GLY  10           H        GLY  10   4.192   0.116  -8.148
   77    HA2  GLY  10           1HA      GLY  10   3.975  -2.263  -7.764
   78    HA3  GLY  10           2HA      GLY  10   5.535  -2.492  -8.529
   79    H    TYR  11           H        TYR  11   3.828  -1.529  -5.593
   80    HA   TYR  11           HA       TYR  11   6.338  -1.767  -4.136
   81    HB2  TYR  11           1HB      TYR  11   6.179   0.636  -4.411
   82    HB3  TYR  11           2HB      TYR  11   4.427   0.607  -4.366
   83    HD1  TYR  11           2HD      TYR  11   7.150  -0.550  -2.041
   84    HD2  TYR  11           1HD      TYR  11   3.565   1.731  -2.539
   85    HE1  TYR  11           2HE      TYR  11   7.197   0.076   0.423
   86    HE2  TYR  11           1HE      TYR  11   3.624   2.349  -0.074
   87    HH   TYR  11           HH       TYR  11   6.262   2.102   1.782
   88    H    GLU  12           H        GLU  12   5.666  -3.680  -3.140
   89    HA   GLU  12           HA       GLU  12   3.083  -4.079  -2.223
   90    HB2  GLU  12           1HB      GLU  12   4.916  -5.817  -2.657
   91    HB3  GLU  12           2HB      GLU  12   5.603  -5.375  -1.106
   92    HG2  GLU  12           1HG      GLU  12   3.899  -6.375   0.099
   93    HG3  GLU  12           2HG      GLU  12   2.671  -5.962  -1.081
   94    HE2  GLU  12           HE       GLU  12   5.221  -8.177  -0.430
   95    H    TYR  13           H        TYR  13   2.003  -3.219  -0.502
   96    HA   TYR  13           HA       TYR  13   3.557  -1.714   1.443
   97    HB2  TYR  13           1HB      TYR  13   1.592  -0.629   0.465
   98    HB3  TYR  13           2HB      TYR  13   0.633  -2.089   0.601
   99    HD1  TYR  13           2HD      TYR  13   2.490   0.287   2.844
  100    HD2  TYR  13           1HD      TYR  13  -0.970  -2.165   2.275
  101    HE1  TYR  13           2HE      TYR  13   1.532   1.114   5.049
  102    HE2  TYR  13           1HE      TYR  13  -1.916  -1.330   4.482
  103    HH   TYR  13           HH       TYR  13  -0.131   0.106   6.778
  104    H    ASP  14           H        ASP  14   3.405  -2.039   3.721
  105    HA   ASP  14           HA       ASP  14   2.418  -4.702   4.381
  106    HB2  ASP  14           1HB      ASP  14   4.909  -3.234   5.034
  107    HB3  ASP  14           2HB      ASP  14   4.142  -3.934   6.446
  108    HD2  ASP  14           HD       ASP  14   5.263  -4.602   3.362
  109    HA   PRO  15           HA       PRO  15  -0.166  -2.023   6.862
  110    HB2  PRO  15           1HB      PRO  15  -2.200  -3.805   7.256
  111    HB3  PRO  15           2HB      PRO  15  -2.125  -2.727   5.877
  112    HG2  PRO  15           1HG      PRO  15  -1.582  -5.630   5.990
  113    HG3  PRO  15           2HG      PRO  15  -1.927  -4.632   4.592
  114    HD2  PRO  15           1HD      PRO  15   0.638  -5.632   5.396
  115    HD3  PRO  15           2HD      PRO  15   0.310  -4.539   4.066
  116    H    ALA  16           H        ALA  16   0.855  -5.258   7.611
  117    HA   ALA  16           HA       ALA  16   0.242  -4.985  10.384
  118    HB1  ALA  16           1HB      ALA  16   1.270  -7.153  10.573
  119    HB2  ALA  16           2HB      ALA  16   0.346  -7.139   9.051
  120    HB3  ALA  16           3HB      ALA  16   2.116  -6.952   9.019
  121    H    GLU  17           H        GLU  17   2.494  -3.483   8.394
  122    HA   GLU  17           HA       GLU  17   4.378  -3.300  10.616
  123    HB2  GLU  17           1HB      GLU  17   5.150  -4.336   8.357
  124    HB3  GLU  17           2HB      GLU  17   5.065  -2.708   7.716
  125    HG2  GLU  17           1HG      GLU  17   7.338  -3.021   8.446
  126    HG3  GLU  17           2HG      GLU  17   6.590  -1.961   9.624
  127    HE2  GLU  17           HE       GLU  17   6.953  -2.576  11.609
  128    H    GLY  18           H        GLY  18   3.120  -1.477   7.726
  129    HA2  GLY  18           1HA      GLY  18   1.955   0.607   8.194
  130    HA3  GLY  18           2HA      GLY  18   3.177   0.963   9.399
  131    H    ASP  19           H        ASP  19   4.246   2.749   8.600
  132    HA   ASP  19           HA       ASP  19   6.083   2.411   6.588
  133    HB2  ASP  19           1HB      ASP  19   3.632   2.711   5.409
  134    HB3  ASP  19           2HB      ASP  19   4.073   4.398   5.582
  135    HD2  ASP  19           HD       ASP  19   5.746   1.532   4.704
  136    HA   PRO  20           HA       PRO  20   7.005   6.025   8.970
  137    HB2  PRO  20           1HB      PRO  20   9.634   6.273   8.268
  138    HB3  PRO  20           2HB      PRO  20   9.082   5.226   9.560
  139    HG2  PRO  20           1HG      PRO  20   9.991   4.497   6.843
  140    HG3  PRO  20           2HG      PRO  20   9.846   3.479   8.262
  141    HD2  PRO  20           1HD      PRO  20   8.054   3.568   6.024
  142    HD3  PRO  20           2HD      PRO  20   7.849   2.637   7.495
  143    H    ASP  21           H        ASP  21   7.729   5.752   5.572
  144    HA   ASP  21           HA       ASP  21   8.442   8.170   4.872
  145    HB2  ASP  21           1HB      ASP  21   7.568   6.117   3.462
  146    HB3  ASP  21           2HB      ASP  21   6.028   6.953   3.489
  147    HD2  ASP  21           HD       ASP  21   9.331   7.539   2.743
  148    H    ASN  22           H        ASN  22   5.014   7.154   5.564
  149    HA   ASN  22           HA       ASN  22   4.387   9.986   5.859
  150    HB2  ASN  22           1HB      ASN  22   1.925   8.766   5.609
  151    HB3  ASN  22           2HB      ASN  22   2.808   9.457   4.262
  152   HD21  ASN  22          1HD2      ASN  22   2.697   8.186   2.585
  153   HD22  ASN  22          2HD2      ASN  22   2.886   6.465   2.553
  154    H    GLY  23           H        GLY  23   5.595   8.428   7.964
  155    HA2  GLY  23           1HA      GLY  23   5.250   7.529  10.027
  156    HA3  GLY  23           2HA      GLY  23   4.244   8.954  10.195
  157    H    VAL  24           H        VAL  24   4.306   5.454   9.700
  158    HA   VAL  24           HA       VAL  24   1.426   5.427  10.230
  159    HB   VAL  24           HB       VAL  24   2.943   4.045   8.035
  160   HG11  VAL  24          1HG1      VAL  24   0.208   3.188   9.033
  161   HG12  VAL  24          2HG1      VAL  24   1.154   2.468   7.709
  162   HG13  VAL  24          3HG1      VAL  24   1.722   2.322   9.390
  163   HG21  VAL  24          3HG2      VAL  24   1.907   5.644   6.863
  164   HG22  VAL  24          1HG2      VAL  24   0.389   4.768   7.177
  165   HG23  VAL  24          2HG2      VAL  24   0.886   6.101   8.248
  166    H    LYS  25           H        LYS  25   0.716   3.649  11.515
  167    HA   LYS  25           HA       LYS  25   2.919   2.415  12.976
  168    HB2  LYS  25           1HB      LYS  25   1.360   2.076  14.753
  169    HB3  LYS  25           2HB      LYS  25   1.189   3.730  14.200
  170    HG2  LYS  25           1HG      LYS  25  -0.719   2.838  12.665
  171    HG3  LYS  25           2HG      LYS  25  -0.654   1.376  13.628
  172    HD2  LYS  25           1HD      LYS  25  -2.021   2.387  15.128
  173    HD3  LYS  25           2HD      LYS  25  -0.690   3.450  15.542
  174    HE2  LYS  25           1HE      LYS  25  -2.367   4.988  14.940
  175    HE3  LYS  25           2HE      LYS  25  -1.451   4.857  13.452
  176    HZ1  LYS  25           2HZ      LYS  25  -3.917   4.608  13.186
  177    HZ3  LYS  25           1HZ      LYS  25  -3.850   3.197  13.995
  178    HA   PRO  26           HA       PRO  26   2.080  -1.487  11.336
  179    HB2  PRO  26           1HB      PRO  26   2.765  -3.166  13.381
  180    HB3  PRO  26           2HB      PRO  26   3.943  -2.406  12.329
  181    HG2  PRO  26           1HG      PRO  26   3.250  -1.737  15.124
  182    HG3  PRO  26           2HG      PRO  26   4.679  -1.295  14.211
  183    HD2  PRO  26           1HD      PRO  26   2.443   0.393  14.822
  184    HD3  PRO  26           2HD      PRO  26   3.817   0.798  13.812
  185    H    GLY  27           H        GLY  27   0.624  -3.211  11.064
  186    HA2  GLY  27           1HA      GLY  27  -1.189  -4.475  11.722
  187    HA3  GLY  27           2HA      GLY  27  -1.399  -3.475  13.145
  188    H    THR  28           H        THR  28  -0.935  -1.109  10.983
  189    HA   THR  28           HA       THR  28  -3.714  -0.541  10.740
  190    HB   THR  28           HB       THR  28  -1.256   0.786   9.479
  191    HG1  THR  28           1HG      THR  28  -0.930   1.135  11.646
  192   HG21  THR  28          3HG2      THR  28  -3.505   1.592   8.621
  193   HG22  THR  28          1HG2      THR  28  -3.977   1.925  10.304
  194   HG23  THR  28          2HG2      THR  28  -2.635   2.828   9.561
  195    H    SER  29           H        SER  29  -5.114  -0.713   9.048
  196    HA   SER  29           HA       SER  29  -4.189  -2.443   6.944
  197    HB2  SER  29           1HB      SER  29  -6.523  -2.792   6.437
  198    HB3  SER  29           2HB      SER  29  -6.355  -2.846   8.181
  199    HG   SER  29           HG       SER  29  -7.392  -0.694   6.560
  200    H    PHE  30           H        PHE  30  -4.441  -1.922   4.656
  201    HA   PHE  30           HA       PHE  30  -3.715   0.688   4.020
  202    HB2  PHE  30           1HB      PHE  30  -3.365  -1.513   2.729
  203    HB3  PHE  30           2HB      PHE  30  -5.069  -1.493   2.321
  204    HD1  PHE  30           1HD      PHE  30  -5.922   0.609   1.047
  205    HD2  PHE  30           2HD      PHE  30  -1.832  -0.487   1.315
  206    HE1  PHE  30           1HE      PHE  30  -5.418   1.990  -0.988
  207    HE2  PHE  30           2HE      PHE  30  -1.328   0.893  -0.719
  208    HZ   PHE  30           HZ       PHE  30  -3.127   2.115  -1.847
  209    H    ASP  31           H        ASP  31  -6.867  -0.826   4.485
  210    HA   ASP  31           HA       ASP  31  -8.277   1.048   2.922
  211    HB2  ASP  31           1HB      ASP  31  -8.890  -1.191   4.787
  212    HB3  ASP  31           2HB      ASP  31 -10.108   0.068   4.765
  213    HD2  ASP  31           HD       ASP  31 -10.997  -0.172   1.613
  214    H    ASP  32           H        ASP  32  -6.628   1.186   5.915
  215    HA   ASP  32           HA       ASP  32  -8.446   3.196   6.963
  216    HB2  ASP  32           1HB      ASP  32  -6.843   1.117   8.153
  217    HB3  ASP  32           2HB      ASP  32  -6.205   2.650   8.712
  218    HD2  ASP  32           HD       ASP  32  -9.143   3.390  10.527
  219    H    LEU  33           H        LEU  33  -5.442   2.649   5.306
  220    HA   LEU  33           HA       LEU  33  -3.813   4.650   6.287
  221    HB2  LEU  33           1HB      LEU  33  -4.088   3.207   3.688
  222    HB3  LEU  33           2HB      LEU  33  -3.038   4.608   3.761
  223    HG   LEU  33           HG       LEU  33  -2.805   2.064   5.384
  224   HD11  LEU  33          1HD1      LEU  33  -1.848   1.519   3.383
  225   HD12  LEU  33          2HD1      LEU  33  -1.385   3.198   3.013
  226   HD13  LEU  33          3HD1      LEU  33  -0.447   2.256   4.197
  227   HD21  LEU  33          3HD2      LEU  33  -1.353   4.694   5.669
  228   HD22  LEU  33          1HD2      LEU  33  -2.176   3.727   6.916
  229   HD23  LEU  33          2HD2      LEU  33  -0.646   3.153   6.210
  230    HA   PRO  34           HA       PRO  34  -5.603   8.333   4.928
  231    HB2  PRO  34           1HB      PRO  34  -3.433   9.953   4.559
  232    HB3  PRO  34           2HB      PRO  34  -4.113   9.607   6.136
  233    HG2  PRO  34           1HG      PRO  34  -1.637   8.552   4.913
  234    HG3  PRO  34           2HG      PRO  34  -2.109   8.564   6.601
  235    HD2  PRO  34           1HD      PRO  34  -2.175   6.320   4.815
  236    HD3  PRO  34           2HD      PRO  34  -2.755   6.361   6.468
  237    H    ALA  35           H        ALA  35  -5.905   9.970   3.209
  238    HA   ALA  35           HA       ALA  35  -5.732   8.580   0.718
  239    HB1  ALA  35           1HB      ALA  35  -6.453  11.464   0.780
  240    HB2  ALA  35           2HB      ALA  35  -7.313  10.083   0.057
  241    HB3  ALA  35           3HB      ALA  35  -7.449  10.401   1.803
  242    H    ASP  36           H        ASP  36  -3.899  11.073   2.463
  243    HA   ASP  36           HA       ASP  36  -2.490  11.851   0.111
  244    HB2  ASP  36           1HB      ASP  36  -2.029  12.427   3.075
  245    HB3  ASP  36           2HB      ASP  36  -1.083  13.148   1.789
  246    HD2  ASP  36           HD       ASP  36  -3.403  15.553   2.761
  247    H    TRP  37           H        TRP  37  -2.524   8.987   1.526
  248    HA   TRP  37           HA       TRP  37   0.202   8.629   2.324
  249    HB2  TRP  37           1HB      TRP  37  -1.523   7.339   3.385
  250    HB3  TRP  37           2HB      TRP  37  -2.079   6.710   1.847
  251    HD1  TRP  37           HD       TRP  37   0.838   6.290   4.342
  252    HE1  TRP  37           1HE      TRP  37   2.132   4.029   3.922
  253    HE3  TRP  37           3HE      TRP  37  -1.600   5.081   0.046
  254    HZ2  TRP  37           2HZ      TRP  37   1.995   2.034   1.887
  255    HZ3  TRP  37           3HZ      TRP  37  -0.959   2.959  -1.095
  256    HH2  TRP  37           HH       TRP  37   0.770   1.458  -0.241
  257    H    VAL  38           H        VAL  38  -1.900   7.645  -0.475
  258    HA   VAL  38           HA       VAL  38  -1.354   6.789  -2.462
  259    HB   VAL  38           HB       VAL  38   0.147   8.258  -3.766
  260   HG11  VAL  38          1HG1      VAL  38  -2.335   8.813  -2.744
  261   HG12  VAL  38          2HG1      VAL  38  -1.414  10.258  -2.263
  262   HG13  VAL  38          3HG1      VAL  38  -1.496   9.785  -3.977
  263   HG21  VAL  38          3HG2      VAL  38   0.573   9.751  -1.157
  264   HG22  VAL  38          1HG2      VAL  38   1.782   8.704  -1.938
  265   HG23  VAL  38          2HG2      VAL  38   1.220  10.179  -2.759
  266    H    CYS  39           H        CYS  39   1.083   6.629  -3.920
  267    HA   CYS  39           HA       CYS  39   2.378   4.558  -2.337
  268    HB2  CYS  39           1HB      CYS  39   1.617   3.723  -4.401
  269    HB3  CYS  39           2HB      CYS  39   2.208   5.113  -5.290
  270    HA   PRO  40           HA       PRO  40   5.561   7.616  -1.936
  271    HB2  PRO  40           1HB      PRO  40   6.903   6.417   0.121
  272    HB3  PRO  40           2HB      PRO  40   5.561   7.517   0.364
  273    HG2  PRO  40           1HG      PRO  40   5.612   4.572   0.616
  274    HG3  PRO  40           2HG      PRO  40   4.438   5.708   1.251
  275    HD2  PRO  40           1HD      PRO  40   4.122   4.017  -1.044
  276    HD3  PRO  40           2HD      PRO  40   2.997   5.235  -0.477
  277    H    VAL  41           H        VAL  41   5.670   6.015  -4.133
  278    HA   VAL  41           HA       VAL  41   8.537   5.492  -4.140
  279    HB   VAL  41           HB       VAL  41   6.443   3.522  -5.080
  280   HG11  VAL  41          1HG1      VAL  41   9.413   3.011  -4.948
  281   HG12  VAL  41          2HG1      VAL  41   8.159   2.143  -5.866
  282   HG13  VAL  41          3HG1      VAL  41   8.674   3.767  -6.380
  283   HG21  VAL  41          3HG2      VAL  41   8.469   3.005  -2.909
  284   HG22  VAL  41          1HG2      VAL  41   6.920   3.800  -2.538
  285   HG23  VAL  41          2HG2      VAL  41   6.935   2.167  -3.247
  286    H    CYS  42           H        CYS  42   5.423   5.725  -5.960
  287    HA   CYS  42           HA       CYS  42   6.980   6.938  -8.128
  288    HB2  CYS  42           1HB      CYS  42   5.487   6.064  -9.726
  289    HB3  CYS  42           2HB      CYS  42   5.947   4.734  -8.683
  290    H    GLY  43           H        GLY  43   3.816   6.813  -6.354
  291    HA2  GLY  43           1HA      GLY  43   3.344   9.201  -5.512
  292    HA3  GLY  43           2HA      GLY  43   3.258   9.570  -7.223
  293    H    ALA  44           H        ALA  44   2.102   7.008  -8.088
  294    HA   ALA  44           HA       ALA  44  -0.458   7.428  -8.305
  295    HB1  ALA  44           1HB      ALA  44  -0.811   4.989  -8.330
  296    HB2  ALA  44           2HB      ALA  44   0.732   5.413  -9.110
  297    HB3  ALA  44           3HB      ALA  44   0.722   4.750  -7.458
  298    HA   PRO  45           HA       PRO  45  -2.264   7.673  -4.375
  299    HB2  PRO  45           1HB      PRO  45  -4.905   7.511  -5.058
  300    HB3  PRO  45           2HB      PRO  45  -3.975   8.992  -5.172
  301    HG2  PRO  45           1HG      PRO  45  -4.861   7.188  -7.340
  302    HG3  PRO  45           2HG      PRO  45  -4.318   8.850  -7.449
  303    HD2  PRO  45           1HD      PRO  45  -2.815   6.506  -8.136
  304    HD3  PRO  45           2HD      PRO  45  -2.235   8.160  -8.133
  305    H    LYS  46           H        LYS  46  -3.602   6.573  -2.729
  306    HA   LYS  46           HA       LYS  46  -2.921   3.859  -2.742
  307    HB2  LYS  46           1HB      LYS  46  -3.874   3.785  -0.622
  308    HB3  LYS  46           2HB      LYS  46  -3.362   5.454  -0.771
  309    HG2  LYS  46           1HG      LYS  46  -5.669   6.123  -1.428
  310    HG3  LYS  46           2HG      LYS  46  -6.192   4.453  -1.345
  311    HD2  LYS  46           1HD      LYS  46  -4.969   4.874   1.151
  312    HD3  LYS  46           2HD      LYS  46  -5.783   6.394   0.838
  313    HE2  LYS  46           1HE      LYS  46  -7.490   5.155   1.874
  314    HE3  LYS  46           2HE      LYS  46  -7.847   4.888   0.179
  315    HZ1  LYS  46           2HZ      LYS  46  -6.628   2.776   0.314
  316    HZ3  LYS  46           1HZ      LYS  46  -7.824   2.795   1.418
  317    H    SER  47           H        SER  47  -5.470   5.615  -4.293
  318    HA   SER  47           HA       SER  47  -7.356   3.515  -4.247
  319    HB2  SER  47           1HB      SER  47  -7.549   6.154  -4.758
  320    HB3  SER  47           2HB      SER  47  -7.378   5.602  -6.413
  321    HG   SER  47           HG       SER  47  -9.591   5.614  -5.938
  322    H    GLU  48           H        GLU  48  -4.361   3.909  -5.792
  323    HA   GLU  48           HA       GLU  48  -5.225   2.309  -8.066
  324    HB2  GLU  48           1HB      GLU  48  -2.696   3.966  -7.663
  325    HB3  GLU  48           2HB      GLU  48  -3.020   2.989  -9.081
  326    HG2  GLU  48           1HG      GLU  48  -5.283   4.356  -9.198
  327    HG3  GLU  48           2HG      GLU  48  -4.460   5.490  -8.145
  328    HE2  GLU  48           HE       GLU  48  -3.627   4.488 -11.797
  329    H    PHE  49           H        PHE  49  -4.975   1.165  -5.409
  330    HA   PHE  49           HA       PHE  49  -2.575  -0.483  -5.800
  331    HB2  PHE  49           1HB      PHE  49  -4.038   0.729  -3.437
  332    HB3  PHE  49           2HB      PHE  49  -3.329  -0.853  -3.180
  333    HD1  PHE  49           2HD      PHE  49  -2.508   2.608  -4.237
  334    HD2  PHE  49           1HD      PHE  49  -1.037  -1.076  -2.731
  335    HE1  PHE  49           2HE      PHE  49  -0.281   3.677  -3.797
  336    HE2  PHE  49           1HE      PHE  49   1.191  -0.007  -2.291
  337    HZ   PHE  49           HZ       PHE  49   1.542   2.357  -2.829
  338    H    GLU  50           H        GLU  50  -2.870  -2.654  -6.107
  339    HA   GLU  50           HA       GLU  50  -5.592  -3.609  -5.678
  340    HB2  GLU  50           1HB      GLU  50  -4.283  -3.551  -8.055
  341    HB3  GLU  50           2HB      GLU  50  -3.722  -5.108  -7.480
  342    HG2  GLU  50           1HG      GLU  50  -6.494  -5.093  -6.897
  343    HG3  GLU  50           2HG      GLU  50  -6.373  -4.348  -8.479
  344    HE2  GLU  50           HE       GLU  50  -5.490  -8.193  -7.931
  345    H    ALA  51           H        ALA  51  -5.810  -5.917  -4.982
  346    HA   ALA  51           HA       ALA  51  -3.695  -6.538  -3.081
  347    HB1  ALA  51           1HB      ALA  51  -6.497  -6.578  -3.006
  348    HB2  ALA  51           2HB      ALA  51  -6.031  -8.293  -3.095
  349    HB3  ALA  51           3HB      ALA  51  -5.393  -7.264  -1.791
  350    H    ALA  52           H        ALA  52  -2.033  -7.709  -3.931
  351    HA   ALA  52           HA       ALA  52  -2.643 -10.270  -5.050
  352    HB1  ALA  52           1HB      ALA  52  -1.508  -8.037  -6.762
  353    HB2  ALA  52           2HB      ALA  52  -1.253  -9.756  -7.145
  354    HB3  ALA  52           3HB      ALA  52  -2.903  -9.089  -7.102
  Start of MODEL   12
    1    H1   MET   1           H        MET   1  -5.669  -8.956   7.462
    2    HA   MET   1           HA       MET   1  -5.558  -6.496   6.280
    3    HB2  MET   1           1HB      MET   1  -3.293  -7.062   8.258
    4    HB3  MET   1           2HB      MET   1  -3.068  -5.967   6.909
    5    HG2  MET   1           1HG      MET   1  -3.754  -4.467   8.572
    6    HG3  MET   1           2HG      MET   1  -5.291  -4.824   7.810
    7    HE1  MET   1           3HE      MET   1  -3.393  -7.461  10.516
    8    HE2  MET   1           1HE      MET   1  -2.740  -5.823  10.274
    9    HE3  MET   1           2HE      MET   1  -3.617  -6.219  11.772
   10    H    LYS   2           H        LYS   2  -4.259  -6.531   4.334
   11    HA   LYS   2           HA       LYS   2  -2.745  -8.994   3.913
   12    HB2  LYS   2           1HB      LYS   2  -4.849  -9.608   3.020
   13    HB3  LYS   2           2HB      LYS   2  -5.098  -8.040   2.280
   14    HG2  LYS   2           1HG      LYS   2  -4.428  -9.396   0.458
   15    HG3  LYS   2           2HG      LYS   2  -2.956  -8.545   0.885
   16    HD2  LYS   2           1HD      LYS   2  -1.920 -10.535   1.195
   17    HD3  LYS   2           2HD      LYS   2  -3.001 -10.873   2.532
   18    HE2  LYS   2           1HE      LYS   2  -3.973 -11.343  -0.298
   19    HE3  LYS   2           2HE      LYS   2  -2.897 -12.515   0.438
   20    HZ1  LYS   2           2HZ      LYS   2  -4.465 -12.980   2.107
   21    HZ3  LYS   2           1HZ      LYS   2  -5.409 -12.812   0.790
   22    H    LYS   3           H        LYS   3  -1.092  -8.805   2.282
   23    HA   LYS   3           HA       LYS   3  -0.169  -6.081   2.054
   24    HB2  LYS   3           1HB      LYS   3   0.996  -8.802   1.800
   25    HB3  LYS   3           2HB      LYS   3   1.710  -7.564   0.786
   26    HG2  LYS   3           1HG      LYS   3   2.960  -7.162   2.682
   27    HG3  LYS   3           2HG      LYS   3   1.591  -6.149   3.091
   28    HD2  LYS   3           1HD      LYS   3   0.684  -7.743   4.595
   29    HD3  LYS   3           2HD      LYS   3   1.549  -9.079   3.862
   30    HE2  LYS   3           1HE      LYS   3   3.721  -7.820   4.656
   31    HE3  LYS   3           2HE      LYS   3   2.640  -6.918   5.699
   32    HZ1  LYS   3           2HZ      LYS   3   3.439  -8.855   6.870
   33    HZ3  LYS   3           1HZ      LYS   3   2.968  -9.870   5.687
   34    H    TYR   4           H        TYR   4  -0.585  -4.780   0.356
   35    HA   TYR   4           HA       TYR   4  -1.607  -6.066  -2.073
   36    HB2  TYR   4           1HB      TYR   4  -1.590  -3.084  -1.472
   37    HB3  TYR   4           2HB      TYR   4  -2.823  -4.008  -2.307
   38    HD1  TYR   4           1HD      TYR   4  -1.463  -3.139   1.027
   39    HD2  TYR   4           2HD      TYR   4  -4.659  -5.007  -1.118
   40    HE1  TYR   4           1HE      TYR   4  -2.852  -3.223   3.155
   41    HE2  TYR   4           2HE      TYR   4  -6.036  -5.085   1.017
   42    HH   TYR   4           HH       TYR   4  -5.615  -5.117   3.429
   43    H    VAL   5           H        VAL   5  -1.202  -3.972  -3.892
   44    HA   VAL   5           HA       VAL   5   1.604  -3.297  -3.828
   45    HB   VAL   5           HB       VAL   5   1.320  -5.673  -4.745
   46   HG11  VAL   5          1HG1      VAL   5  -0.571  -5.519  -6.146
   47   HG12  VAL   5          2HG1      VAL   5   0.041  -4.059  -6.960
   48   HG13  VAL   5          3HG1      VAL   5   0.812  -5.635  -7.260
   49   HG21  VAL   5          3HG2      VAL   5   3.171  -3.742  -5.200
   50   HG22  VAL   5          1HG2      VAL   5   3.278  -5.395  -5.850
   51   HG23  VAL   5          2HG2      VAL   5   2.644  -4.079  -6.866
   52    H    CYS   6           H        CYS   6   2.157  -1.839  -5.715
   53    HA   CYS   6           HA       CYS   6  -0.155  -0.165  -6.212
   54    HB2  CYS   6           1HB      CYS   6   1.660   1.051  -5.362
   55    HB3  CYS   6           2HB      CYS   6   2.817   0.249  -6.406
   56    H    THR   7           H        THR   7  -0.897   0.315  -8.344
   57    HA   THR   7           HA       THR   7  -0.384  -1.718 -10.277
   58    HB   THR   7           HB       THR   7  -2.096  -0.457 -11.550
   59    HG1  THR   7           1HG      THR   7  -1.993   1.463  -9.370
   60   HG21  THR   7          3HG2      THR   7  -2.496  -0.737  -8.555
   61   HG22  THR   7          1HG2      THR   7  -3.746   0.076  -9.528
   62   HG23  THR   7          2HG2      THR   7  -3.305  -1.614  -9.876
   63    H    VAL   8           H        VAL   8   0.047   1.884 -10.459
   64    HA   VAL   8           HA       VAL   8   1.360   2.081 -12.766
   65    HB   VAL   8           HB       VAL   8   2.128   3.451 -10.180
   66   HG11  VAL   8          1HG1      VAL   8   2.286   4.915 -12.747
   67   HG12  VAL   8          2HG1      VAL   8   3.386   4.921 -11.347
   68   HG13  VAL   8          3HG1      VAL   8   3.476   3.606 -12.544
   69   HG21  VAL   8          3HG2      VAL   8  -0.191   3.783 -10.411
   70   HG22  VAL   8          1HG2      VAL   8   0.542   5.242 -11.120
   71   HG23  VAL   8          2HG2      VAL   8  -0.083   3.955 -12.179
   72    H    CYS   9           H        CYS   9   3.241   1.777  -9.668
   73    HA   CYS   9           HA       CYS   9   5.341   0.520 -11.244
   74    HB2  CYS   9           1HB      CYS   9   6.867   1.220  -9.671
   75    HB3  CYS   9           2HB      CYS   9   5.720   2.545  -9.710
   76    H    GLY  10           H        GLY  10   6.503  -0.751  -8.795
   77    HA2  GLY  10           1HA      GLY  10   4.465  -2.826  -8.267
   78    HA3  GLY  10           2HA      GLY  10   6.098  -3.235  -8.756
   79    H    TYR  11           H        TYR  11   4.382  -1.152  -6.315
   80    HA   TYR  11           HA       TYR  11   6.508  -1.869  -4.414
   81    HB2  TYR  11           1HB      TYR  11   6.315   0.541  -4.777
   82    HB3  TYR  11           2HB      TYR  11   4.567   0.461  -4.857
   83    HD1  TYR  11           2HD      TYR  11   7.124  -0.650  -2.331
   84    HD2  TYR  11           1HD      TYR  11   3.568   1.599  -3.109
   85    HE1  TYR  11           2HE      TYR  11   6.976  -0.019   0.128
   86    HE2  TYR  11           1HE      TYR  11   3.432   2.222  -0.648
   87    HH   TYR  11           HH       TYR  11   4.218   1.231   1.504
   88    H    GLU  12           H        GLU  12   5.994  -3.219  -2.766
   89    HA   GLU  12           HA       GLU  12   3.165  -3.716  -2.361
   90    HB2  GLU  12           1HB      GLU  12   3.870  -5.808  -1.284
   91    HB3  GLU  12           2HB      GLU  12   4.614  -5.667  -2.864
   92    HG2  GLU  12           1HG      GLU  12   6.515  -4.424  -1.300
   93    HG3  GLU  12           2HG      GLU  12   5.876  -5.592  -0.160
   94    HE2  GLU  12           HE       GLU  12   6.877  -7.779  -0.542
   95    H    TYR  13           H        TYR  13   2.121  -3.022  -0.532
   96    HA   TYR  13           HA       TYR  13   3.763  -1.692   1.477
   97    HB2  TYR  13           1HB      TYR  13   1.849  -0.460   0.543
   98    HB3  TYR  13           2HB      TYR  13   0.808  -1.864   0.662
   99    HD1  TYR  13           2HD      TYR  13   2.921   0.193   2.999
  100    HD2  TYR  13           1HD      TYR  13  -0.822  -1.757   2.298
  101    HE1  TYR  13           2HE      TYR  13   2.067   1.009   5.250
  102    HE2  TYR  13           1HE      TYR  13  -1.664  -0.934   4.552
  103    HH   TYR  13           HH       TYR  13  -0.161  -0.207   6.878
  104    H    ASP  14           H        ASP  14   3.714  -2.211   3.694
  105    HA   ASP  14           HA       ASP  14   2.586  -4.846   4.199
  106    HB2  ASP  14           1HB      ASP  14   5.077  -3.449   5.004
  107    HB3  ASP  14           2HB      ASP  14   4.271  -4.243   6.342
  108    HD2  ASP  14           HD       ASP  14   4.680  -6.201   3.092
  109    HA   PRO  15           HA       PRO  15  -0.024  -2.310   6.789
  110    HB2  PRO  15           1HB      PRO  15  -2.049  -4.120   7.088
  111    HB3  PRO  15           2HB      PRO  15  -1.969  -2.983   5.757
  112    HG2  PRO  15           1HG      PRO  15  -1.407  -5.885   5.751
  113    HG3  PRO  15           2HG      PRO  15  -1.746  -4.830   4.393
  114    HD2  PRO  15           1HD      PRO  15   0.818  -5.846   5.178
  115    HD3  PRO  15           2HD      PRO  15   0.494  -4.700   3.893
  116    H    ALA  16           H        ALA  16   1.091  -5.529   7.403
  117    HA   ALA  16           HA       ALA  16   0.418  -5.410  10.178
  118    HB1  ALA  16           1HB      ALA  16   0.699  -7.619   9.894
  119    HB2  ALA  16           2HB      ALA  16   1.322  -7.342   8.250
  120    HB3  ALA  16           3HB      ALA  16   2.440  -7.356   9.635
  121    H    GLU  17           H        GLU  17   2.606  -3.699   8.328
  122    HA   GLU  17           HA       GLU  17   4.472  -3.589  10.570
  123    HB2  GLU  17           1HB      GLU  17   5.384  -4.520   8.372
  124    HB3  GLU  17           2HB      GLU  17   5.122  -2.938   7.666
  125    HG2  GLU  17           1HG      GLU  17   7.129  -2.277   8.483
  126    HG3  GLU  17           2HG      GLU  17   6.494  -2.446  10.108
  127    HE2  GLU  17           HE       GLU  17   9.406  -3.946   9.932
  128    H    GLY  18           H        GLY  18   3.156  -1.685   7.762
  129    HA2  GLY  18           1HA      GLY  18   1.920   0.340   8.389
  130    HA3  GLY  18           2HA      GLY  18   3.213   0.700   9.515
  131    H    ASP  19           H        ASP  19   4.050   2.598   8.647
  132    HA   ASP  19           HA       ASP  19   5.803   2.355   6.528
  133    HB2  ASP  19           1HB      ASP  19   3.255   2.581   5.533
  134    HB3  ASP  19           2HB      ASP  19   3.666   4.277   5.684
  135    HD2  ASP  19           HD       ASP  19   6.267   4.048   3.333
  136    HA   PRO  20           HA       PRO  20   6.721   5.967   8.917
  137    HB2  PRO  20           1HB      PRO  20   9.288   6.339   8.056
  138    HB3  PRO  20           2HB      PRO  20   8.864   5.249   9.360
  139    HG2  PRO  20           1HG      PRO  20   9.628   4.603   6.579
  140    HG3  PRO  20           2HG      PRO  20   9.616   3.557   7.985
  141    HD2  PRO  20           1HD      PRO  20   7.683   3.604   5.866
  142    HD3  PRO  20           2HD      PRO  20   7.612   2.642   7.329
  143    H    ASP  21           H        ASP  21   7.335   5.800   5.479
  144    HA   ASP  21           HA       ASP  21   7.844   8.298   4.840
  145    HB2  ASP  21           1HB      ASP  21   6.918   6.101   3.480
  146    HB3  ASP  21           2HB      ASP  21   5.525   7.153   3.329
  147    HD2  ASP  21           HD       ASP  21   6.293   9.452   2.534
  148    H    ASN  22           H        ASN  22   4.589   6.947   5.703
  149    HA   ASN  22           HA       ASN  22   3.661   9.702   5.947
  150    HB2  ASN  22           1HB      ASN  22   2.326   7.176   4.958
  151    HB3  ASN  22           2HB      ASN  22   1.322   8.334   5.808
  152   HD21  ASN  22          1HD2      ASN  22   3.781   8.117   3.252
  153   HD22  ASN  22          2HD2      ASN  22   3.118   9.323   2.201
  154    H    GLY  23           H        GLY  23   5.135   8.175   7.984
  155    HA2  GLY  23           1HA      GLY  23   4.955   7.270  10.065
  156    HA3  GLY  23           2HA      GLY  23   3.925   8.668  10.299
  157    H    VAL  24           H        VAL  24   4.034   5.168   9.733
  158    HA   VAL  24           HA       VAL  24   1.209   5.062  10.502
  159    HB   VAL  24           HB       VAL  24   2.578   3.750   8.171
  160   HG11  VAL  24          1HG1      VAL  24  -0.020   2.805   9.428
  161   HG12  VAL  24          2HG1      VAL  24   0.749   2.166   7.956
  162   HG13  VAL  24          3HG1      VAL  24   1.539   1.954   9.536
  163   HG21  VAL  24          3HG2      VAL  24  -0.235   4.765   8.141
  164   HG22  VAL  24          1HG2      VAL  24   1.085   5.957   8.213
  165   HG23  VAL  24          2HG2      VAL  24   1.009   4.794   6.868
  166    H    LYS  25           H        LYS  25   0.622   3.111  11.676
  167    HA   LYS  25           HA       LYS  25   2.965   1.973  13.007
  168    HB2  LYS  25           1HB      LYS  25   0.176   2.617  13.829
  169    HB3  LYS  25           2HB      LYS  25   0.894   1.186  14.540
  170    HG2  LYS  25           1HG      LYS  25   2.759   2.445  15.436
  171    HG3  LYS  25           2HG      LYS  25   2.361   3.856  14.476
  172    HD2  LYS  25           1HD      LYS  25   1.497   4.428  16.593
  173    HD3  LYS  25           2HD      LYS  25   0.075   3.838  15.756
  174    HE2  LYS  25           1HE      LYS  25  -0.189   2.149  17.253
  175    HE3  LYS  25           2HE      LYS  25   1.454   1.595  17.000
  176    HZ1  LYS  25           2HZ      LYS  25   2.095   3.540  18.522
  177    HZ3  LYS  25           1HZ      LYS  25   1.383   2.264  19.239
  178    HA   PRO  26           HA       PRO  26   2.176  -1.946  11.382
  179    HB2  PRO  26           1HB      PRO  26   2.800  -3.650  13.425
  180    HB3  PRO  26           2HB      PRO  26   4.009  -2.871  12.423
  181    HG2  PRO  26           1HG      PRO  26   3.220  -2.244  15.202
  182    HG3  PRO  26           2HG      PRO  26   4.677  -1.783  14.344
  183    HD2  PRO  26           1HD      PRO  26   2.413  -0.113  14.902
  184    HD3  PRO  26           2HD      PRO  26   3.818   0.312  13.945
  185    H    GLY  27           H        GLY  27   0.771  -3.734  11.087
  186    HA2  GLY  27           1HA      GLY  27  -1.084  -4.971  11.592
  187    HA3  GLY  27           2HA      GLY  27  -1.300  -4.074  13.082
  188    H    THR  28           H        THR  28  -0.787  -1.626  10.951
  189    HA   THR  28           HA       THR  28  -3.568  -0.989  10.799
  190    HB   THR  28           HB       THR  28  -1.033   0.323   9.684
  191    HG1  THR  28           1HG      THR  28  -0.947   0.876  11.823
  192   HG21  THR  28          3HG2      THR  28  -3.860   1.426  10.121
  193   HG22  THR  28          1HG2      THR  28  -2.433   2.398   9.685
  194   HG23  THR  28          2HG2      THR  28  -3.076   1.197   8.539
  195    H    SER  29           H        SER  29  -4.846  -0.629   8.915
  196    HA   SER  29           HA       SER  29  -4.011  -2.418   6.779
  197    HB2  SER  29           1HB      SER  29  -6.302  -2.825   6.328
  198    HB3  SER  29           2HB      SER  29  -6.215  -2.771   8.078
  199    HG   SER  29           HG       SER  29  -7.994  -1.507   7.350
  200    H    PHE  30           H        PHE  30  -4.069  -1.711   4.574
  201    HA   PHE  30           HA       PHE  30  -3.313   0.848   4.056
  202    HB2  PHE  30           1HB      PHE  30  -3.311  -1.302   2.599
  203    HB3  PHE  30           2HB      PHE  30  -5.005  -0.998   2.270
  204    HD1  PHE  30           2HD      PHE  30  -1.586   0.271   1.744
  205    HD2  PHE  30           1HD      PHE  30  -5.677   0.653   0.682
  206    HE1  PHE  30           2HE      PHE  30  -0.948   1.740  -0.188
  207    HE2  PHE  30           1HE      PHE  30  -5.038   2.122  -1.250
  208    HZ   PHE  30           HZ       PHE  30  -2.681   2.648  -1.662
  209    H    ASP  31           H        ASP  31  -6.650  -0.548   3.927
  210    HA   ASP  31           HA       ASP  31  -7.915   1.596   2.843
  211    HB2  ASP  31           1HB      ASP  31  -8.630  -0.725   4.521
  212    HB3  ASP  31           2HB      ASP  31  -9.694   0.638   4.803
  213    HD2  ASP  31           HD       ASP  31 -11.141  -1.343   3.487
  214    H    ASP  32           H        ASP  32  -6.490   1.130   6.041
  215    HA   ASP  32           HA       ASP  32  -8.014   3.128   7.328
  216    HB2  ASP  32           1HB      ASP  32  -6.726   1.159   8.395
  217    HB3  ASP  32           2HB      ASP  32  -5.262   2.083   8.124
  218    HD2  ASP  32           HD       ASP  32  -6.921   1.442  10.790
  219    H    LEU  33           H        LEU  33  -4.916   2.875   5.542
  220    HA   LEU  33           HA       LEU  33  -3.589   5.111   6.293
  221    HB2  LEU  33           1HB      LEU  33  -3.913   3.913   3.542
  222    HB3  LEU  33           2HB      LEU  33  -2.742   5.157   3.933
  223    HG   LEU  33           HG       LEU  33  -2.848   2.402   5.193
  224   HD11  LEU  33          1HD1      LEU  33  -1.204   3.531   2.931
  225   HD12  LEU  33          2HD1      LEU  33  -0.657   2.139   3.896
  226   HD13  LEU  33          3HD1      LEU  33  -2.178   2.042   2.977
  227   HD21  LEU  33          3HD2      LEU  33  -1.458   4.840   5.937
  228   HD22  LEU  33          1HD2      LEU  33  -1.605   3.294   6.806
  229   HD23  LEU  33          2HD2      LEU  33  -0.323   3.513   5.591
  230    HA   PRO  34           HA       PRO  34  -5.932   8.524   5.081
  231    HB2  PRO  34           1HB      PRO  34  -4.023  10.407   4.555
  232    HB3  PRO  34           2HB      PRO  34  -4.533   9.988   6.178
  233    HG2  PRO  34           1HG      PRO  34  -2.040   9.252   4.770
  234    HG3  PRO  34           2HG      PRO  34  -2.383   9.214   6.489
  235    HD2  PRO  34           1HD      PRO  34  -2.292   6.968   4.707
  236    HD3  PRO  34           2HD      PRO  34  -2.748   6.946   6.399
  237    H    ALA  35           H        ALA  35  -6.522  10.140   3.390
  238    HA   ALA  35           HA       ALA  35  -6.453   8.755   0.904
  239    HB1  ALA  35           1HB      ALA  35  -8.327   9.968   0.673
  240    HB2  ALA  35           2HB      ALA  35  -7.956  10.837   2.181
  241    HB3  ALA  35           3HB      ALA  35  -7.357  11.459   0.624
  242    H    ASP  36           H        ASP  36  -4.617  11.367   2.464
  243    HA   ASP  36           HA       ASP  36  -3.498  12.297   0.046
  244    HB2  ASP  36           1HB      ASP  36  -3.468  12.998   2.842
  245    HB3  ASP  36           2HB      ASP  36  -1.801  12.842   2.327
  246    HD2  ASP  36           HD       ASP  36  -1.961  15.570   0.172
  247    H    TRP  37           H        TRP  37  -3.236   9.364   1.559
  248    HA   TRP  37           HA       TRP  37  -0.361   9.088   1.494
  249    HB2  TRP  37           1HB      TRP  37  -1.753   8.029   3.244
  250    HB3  TRP  37           2HB      TRP  37  -2.524   7.042   2.018
  251    HD1  TRP  37           HD       TRP  37   0.409   6.991   4.312
  252    HE1  TRP  37           1HE      TRP  37   2.051   4.976   3.855
  253    HE3  TRP  37           3HE      TRP  37  -1.571   5.715  -0.194
  254    HZ2  TRP  37           2HZ      TRP  37   2.331   3.117   1.708
  255    HZ3  TRP  37           3HZ      TRP  37  -0.555   3.788  -1.406
  256    HH2  TRP  37           HH       TRP  37   1.330   2.505  -0.524
  257    H    VAL  38           H        VAL  38   0.805   8.078  -0.155
  258    HA   VAL  38           HA       VAL  38  -0.627   6.664  -2.220
  259    HB   VAL  38           HB       VAL  38   0.328   8.091  -4.012
  260   HG11  VAL  38          1HG1      VAL  38  -2.046   8.291  -2.921
  261   HG12  VAL  38          2HG1      VAL  38  -1.430   9.847  -2.316
  262   HG13  VAL  38          3HG1      VAL  38  -1.488   9.534  -4.067
  263   HG21  VAL  38          3HG2      VAL  38   1.955   9.162  -2.164
  264   HG22  VAL  38          1HG2      VAL  38   1.496  10.015  -3.658
  265   HG23  VAL  38          2HG2      VAL  38   0.656  10.380  -2.131
  266    H    CYS  39           H        CYS  39   0.751   5.261  -3.408
  267    HA   CYS  39           HA       CYS  39   2.749   4.067  -2.166
  268    HB2  CYS  39           1HB      CYS  39   2.158   2.992  -4.082
  269    HB3  CYS  39           2HB      CYS  39   2.128   4.456  -5.044
  270    HA   PRO  40           HA       PRO  40   5.607   7.493  -2.048
  271    HB2  PRO  40           1HB      PRO  40   6.915   6.733   0.227
  272    HB3  PRO  40           2HB      PRO  40   5.495   7.759   0.236
  273    HG2  PRO  40           1HG      PRO  40   5.722   4.901   0.959
  274    HG3  PRO  40           2HG      PRO  40   4.447   6.036   1.356
  275    HD2  PRO  40           1HD      PRO  40   4.358   3.987  -0.649
  276    HD3  PRO  40           2HD      PRO  40   3.130   5.195  -0.331
  277    H    VAL  41           H        VAL  41   6.142   6.146  -4.103
  278    HA   VAL  41           HA       VAL  41   8.952   5.654  -3.849
  279    HB   VAL  41           HB       VAL  41   9.018   3.439  -3.862
  280   HG11  VAL  41          1HG1      VAL  41   6.904   2.244  -3.085
  281   HG12  VAL  41          2HG1      VAL  41   7.481   3.582  -2.063
  282   HG13  VAL  41          3HG1      VAL  41   6.100   3.830  -3.158
  283   HG21  VAL  41          3HG2      VAL  41   8.461   3.253  -6.189
  284   HG22  VAL  41          1HG2      VAL  41   7.538   2.011  -5.309
  285   HG23  VAL  41          2HG2      VAL  41   6.730   3.501  -5.853
  286    H    CYS  42           H        CYS  42   5.918   5.444  -5.785
  287    HA   CYS  42           HA       CYS  42   7.471   6.535  -8.017
  288    HB2  CYS  42           1HB      CYS  42   6.620   5.089  -9.520
  289    HB3  CYS  42           2HB      CYS  42   6.563   4.047  -8.112
  290    H    GLY  43           H        GLY  43   4.246   6.112  -6.414
  291    HA2  GLY  43           1HA      GLY  43   3.352   8.485  -5.944
  292    HA3  GLY  43           2HA      GLY  43   3.312   8.592  -7.693
  293    H    ALA  44           H        ALA  44   1.245   8.341  -8.418
  294    HA   ALA  44           HA       ALA  44  -0.814   7.565  -8.650
  295    HB1  ALA  44           1HB      ALA  44   0.932   5.256  -8.354
  296    HB2  ALA  44           2HB      ALA  44  -0.706   4.892  -7.759
  297    HB3  ALA  44           3HB      ALA  44  -0.474   5.481  -9.423
  298    HA   PRO  45           HA       PRO  45  -2.655   7.979  -4.750
  299    HB2  PRO  45           1HB      PRO  45  -5.286   7.732  -5.445
  300    HB3  PRO  45           2HB      PRO  45  -4.383   9.223  -5.626
  301    HG2  PRO  45           1HG      PRO  45  -5.216   7.297  -7.708
  302    HG3  PRO  45           2HG      PRO  45  -4.703   8.962  -7.895
  303    HD2  PRO  45           1HD      PRO  45  -3.151   6.615  -8.452
  304    HD3  PRO  45           2HD      PRO  45  -2.602   8.278  -8.528
  305    H    LYS  46           H        LYS  46  -3.603   6.902  -2.966
  306    HA   LYS  46           HA       LYS  46  -3.010   4.211  -2.918
  307    HB2  LYS  46           1HB      LYS  46  -3.920   4.206  -0.764
  308    HB3  LYS  46           2HB      LYS  46  -3.365   5.852  -0.992
  309    HG2  LYS  46           1HG      LYS  46  -5.461   6.523  -0.429
  310    HG3  LYS  46           2HG      LYS  46  -5.982   5.930  -1.994
  311    HD2  LYS  46           1HD      LYS  46  -6.984   4.059  -1.106
  312    HD3  LYS  46           2HD      LYS  46  -5.709   3.805   0.069
  313    HE2  LYS  46           1HE      LYS  46  -7.837   4.400   1.196
  314    HE3  LYS  46           2HE      LYS  46  -6.615   5.619   1.496
  315    HZ1  LYS  46           2HZ      LYS  46  -7.696   6.694  -0.635
  316    HZ3  LYS  46           1HZ      LYS  46  -8.379   6.920   0.826
  317    H    SER  47           H        SER  47  -5.646   5.862  -4.439
  318    HA   SER  47           HA       SER  47  -7.516   3.770  -4.214
  319    HB2  SER  47           1HB      SER  47  -7.475   6.430  -5.189
  320    HB3  SER  47           2HB      SER  47  -7.871   5.447  -6.584
  321    HG   SER  47           HG       SER  47  -9.703   4.648  -5.562
  322    H    GLU  48           H        GLU  48  -4.577   4.094  -5.912
  323    HA   GLU  48           HA       GLU  48  -5.505   2.327  -8.030
  324    HB2  GLU  48           1HB      GLU  48  -2.937   3.961  -7.812
  325    HB3  GLU  48           2HB      GLU  48  -3.354   2.932  -9.168
  326    HG2  GLU  48           1HG      GLU  48  -5.574   4.345  -9.269
  327    HG3  GLU  48           2HG      GLU  48  -4.711   5.496  -8.269
  328    HE2  GLU  48           HE       GLU  48  -4.566   6.074 -11.790
  329    H    PHE  49           H        PHE  49  -5.194   1.351  -5.318
  330    HA   PHE  49           HA       PHE  49  -2.799  -0.315  -5.645
  331    HB2  PHE  49           1HB      PHE  49  -4.112   1.172  -3.412
  332    HB3  PHE  49           2HB      PHE  49  -3.745  -0.487  -2.985
  333    HD1  PHE  49           2HD      PHE  49  -2.281   2.724  -4.030
  334    HD2  PHE  49           1HD      PHE  49  -1.488  -1.206  -2.640
  335    HE1  PHE  49           2HE      PHE  49   0.097   3.371  -3.557
  336    HE2  PHE  49           1HE      PHE  49   0.890  -0.559  -2.166
  337    HZ   PHE  49           HZ       PHE  49   1.655   1.722  -2.631
  338    H    GLU  50           H        GLU  50  -3.028  -2.542  -5.618
  339    HA   GLU  50           HA       GLU  50  -5.696  -3.518  -4.979
  340    HB2  GLU  50           1HB      GLU  50  -5.714  -4.970  -6.911
  341    HB3  GLU  50           2HB      GLU  50  -5.355  -3.350  -7.476
  342    HG2  GLU  50           1HG      GLU  50  -2.905  -3.905  -7.475
  343    HG3  GLU  50           2HG      GLU  50  -3.282  -5.531  -6.943
  344    HE2  GLU  50           HE       GLU  50  -3.866  -6.881  -9.612
  345    H    ALA  51           H        ALA  51  -5.713  -5.912  -4.455
  346    HA   ALA  51           HA       ALA  51  -3.373  -6.503  -2.862
  347    HB1  ALA  51           1HB      ALA  51  -5.173  -8.610  -2.619
  348    HB2  ALA  51           2HB      ALA  51  -5.090  -7.182  -1.560
  349    HB3  ALA  51           3HB      ALA  51  -6.225  -7.209  -2.930
  350    H    ALA  52           H        ALA  52  -1.705  -7.726  -3.577
  351    HA   ALA  52           HA       ALA  52  -2.172  -9.315  -5.993
  352    HB1  ALA  52           1HB      ALA  52   0.494  -9.324  -5.733
  353    HB2  ALA  52           2HB      ALA  52  -0.373  -7.959  -6.477
  354    HB3  ALA  52           3HB      ALA  52   0.152  -7.861  -4.778
  Start of MODEL   13
    1    H1   MET   1           H        MET   1  -8.354  -9.624   2.155
    2    HA   MET   1           HA       MET   1  -7.190  -7.276   1.296
    3    HB2  MET   1           1HB      MET   1  -9.179  -8.188   3.257
    4    HB3  MET   1           2HB      MET   1  -8.247  -6.865   3.929
    5    HG2  MET   1           1HG      MET   1  -9.891  -5.650   2.810
    6    HG3  MET   1           2HG      MET   1  -8.688  -5.745   1.539
    7    HE1  MET   1           3HE      MET   1 -12.262  -5.609   0.893
    8    HE2  MET   1           1HE      MET   1 -10.690  -4.968   0.358
    9    HE3  MET   1           2HE      MET   1 -11.593  -6.093  -0.684
   10    H    LYS   2           H        LYS   2  -4.840  -8.118   1.532
   11    HA   LYS   2           HA       LYS   2  -3.641  -6.735   3.655
   12    HB2  LYS   2           1HB      LYS   2  -2.748  -8.490   5.003
   13    HB3  LYS   2           2HB      LYS   2  -4.486  -8.701   4.941
   14    HG2  LYS   2           1HG      LYS   2  -3.468 -10.152   2.712
   15    HG3  LYS   2           2HG      LYS   2  -2.383 -10.515   4.038
   16    HD2  LYS   2           1HD      LYS   2  -4.469 -10.994   5.468
   17    HD3  LYS   2           2HD      LYS   2  -5.412 -10.874   3.996
   18    HE2  LYS   2           1HE      LYS   2  -5.000 -13.150   3.934
   19    HE3  LYS   2           2HE      LYS   2  -3.556 -12.617   3.096
   20    HZ1  LYS   2           2HZ      LYS   2  -2.285 -12.844   5.068
   21    HZ3  LYS   2           1HZ      LYS   2  -3.217 -14.180   5.054
   22    H    LYS   3           H        LYS   3  -1.279  -6.730   3.443
   23    HA   LYS   3           HA       LYS   3   0.430  -6.408   2.043
   24    HB2  LYS   3           1HB      LYS   3  -0.055  -9.386   1.751
   25    HB3  LYS   3           2HB      LYS   3   1.400  -8.574   1.211
   26    HG2  LYS   3           1HG      LYS   3   0.537  -8.003   4.028
   27    HG3  LYS   3           2HG      LYS   3   1.116  -9.627   3.712
   28    HD2  LYS   3           1HD      LYS   3   2.703  -7.232   2.732
   29    HD3  LYS   3           2HD      LYS   3   2.838  -7.748   4.401
   30    HE2  LYS   3           1HE      LYS   3   3.571  -9.990   3.715
   31    HE3  LYS   3           2HE      LYS   3   3.259  -9.626   2.029
   32    HZ1  LYS   3           2HZ      LYS   3   4.990  -7.898   2.152
   33    HZ3  LYS   3           1HZ      LYS   3   5.611  -9.348   2.555
   34    H    TYR   4           H        TYR   4  -0.391  -4.963   0.493
   35    HA   TYR   4           HA       TYR   4  -1.420  -6.238  -1.948
   36    HB2  TYR   4           1HB      TYR   4  -1.522  -3.268  -1.511
   37    HB3  TYR   4           2HB      TYR   4  -2.801  -4.329  -2.068
   38    HD1  TYR   4           1HD      TYR   4  -1.061  -3.058   0.951
   39    HD2  TYR   4           2HD      TYR   4  -4.439  -5.207  -0.555
   40    HE1  TYR   4           1HE      TYR   4  -2.166  -2.939   3.238
   41    HE2  TYR   4           2HE      TYR   4  -5.533  -5.081   1.736
   42    HH   TYR   4           HH       TYR   4  -5.328  -4.463   3.793
   43    H    VAL   5           H        VAL   5  -1.001  -4.351  -3.845
   44    HA   VAL   5           HA       VAL   5   1.766  -3.491  -3.674
   45    HB   VAL   5           HB       VAL   5   1.592  -5.900  -4.545
   46   HG11  VAL   5          1HG1      VAL   5   0.372  -6.361  -6.355
   47   HG12  VAL   5          2HG1      VAL   5  -0.252  -4.694  -6.305
   48   HG13  VAL   5          3HG1      VAL   5   1.182  -5.078  -7.286
   49   HG21  VAL   5          3HG2      VAL   5   3.398  -5.542  -6.131
   50   HG22  VAL   5          1HG2      VAL   5   2.953  -3.827  -6.297
   51   HG23  VAL   5          2HG2      VAL   5   3.585  -4.437  -4.748
   52    H    CYS   6           H        CYS   6   2.324  -2.101  -5.639
   53    HA   CYS   6           HA       CYS   6   0.018  -0.445  -6.159
   54    HB2  CYS   6           1HB      CYS   6   1.892   0.783  -5.480
   55    HB3  CYS   6           2HB      CYS   6   2.984  -0.110  -6.520
   56    H    THR   7           H        THR   7  -0.808  -0.044  -8.283
   57    HA   THR   7           HA       THR   7   0.023  -2.053 -10.256
   58    HB   THR   7           HB       THR   7  -2.236  -1.871 -11.081
   59    HG1  THR   7           1HG      THR   7  -2.436   0.415  -9.258
   60   HG21  THR   7          3HG2      THR   7  -2.694  -1.221  -8.144
   61   HG22  THR   7          1HG2      THR   7  -3.614  -2.329  -9.191
   62   HG23  THR   7          2HG2      THR   7  -1.993  -2.788  -8.616
   63    H    VAL   8           H        VAL   8   1.783   0.127  -9.855
   64    HA   VAL   8           HA       VAL   8   1.551   1.313 -12.502
   65    HB   VAL   8           HB       VAL   8   2.132   2.984 -10.057
   66   HG11  VAL   8          1HG1      VAL   8   2.900   3.530 -12.535
   67   HG12  VAL   8          2HG1      VAL   8   1.213   4.076 -12.691
   68   HG13  VAL   8          3HG1      VAL   8   2.273   4.801 -11.458
   69   HG21  VAL   8          3HG2      VAL   8  -0.121   2.461  -9.718
   70   HG22  VAL   8          1HG2      VAL   8  -0.191   3.983 -10.638
   71   HG23  VAL   8          2HG2      VAL   8  -0.480   2.432 -11.462
   72    H    CYS   9           H        CYS   9   3.456   0.872  -9.460
   73    HA   CYS   9           HA       CYS   9   5.818   0.642 -11.180
   74    HB2  CYS   9           1HB      CYS   9   7.174   1.626  -9.541
   75    HB3  CYS   9           2HB      CYS   9   5.774   2.668  -9.699
   76    H    GLY  10           H        GLY  10   4.250  -0.304  -8.040
   77    HA2  GLY  10           1HA      GLY  10   3.894  -2.619  -7.570
   78    HA3  GLY  10           2HA      GLY  10   5.389  -3.004  -8.398
   79    H    TYR  11           H        TYR  11   4.015  -1.340  -5.511
   80    HA   TYR  11           HA       TYR  11   6.564  -1.891  -4.148
   81    HB2  TYR  11           1HB      TYR  11   6.283   0.534  -4.532
   82    HB3  TYR  11           2HB      TYR  11   4.583   0.459  -4.112
   83    HD1  TYR  11           2HD      TYR  11   7.762  -0.636  -2.421
   84    HD2  TYR  11           1HD      TYR  11   4.115   1.584  -2.147
   85    HE1  TYR  11           2HE      TYR  11   8.320  -0.001  -0.024
   86    HE2  TYR  11           1HE      TYR  11   4.686   2.212   0.250
   87    HH   TYR  11           HH       TYR  11   6.737   0.667   2.076
   88    H    GLU  12           H        GLU  12   5.881  -3.848  -3.198
   89    HA   GLU  12           HA       GLU  12   3.394  -4.263  -2.121
   90    HB2  GLU  12           1HB      GLU  12   4.449  -6.147  -0.908
   91    HB3  GLU  12           2HB      GLU  12   5.005  -6.070  -2.568
   92    HG2  GLU  12           1HG      GLU  12   6.991  -4.642  -1.629
   93    HG3  GLU  12           2HG      GLU  12   6.496  -5.231  -0.055
   94    HE2  GLU  12           HE       GLU  12   8.843  -7.139  -2.278
   95    H    TYR  13           H        TYR  13   2.355  -3.413  -0.370
   96    HA   TYR  13           HA       TYR  13   3.960  -1.875   1.517
   97    HB2  TYR  13           1HB      TYR  13   1.990  -0.786   0.530
   98    HB3  TYR  13           2HB      TYR  13   1.009  -2.221   0.749
   99    HD1  TYR  13           2HD      TYR  13   2.715   0.523   2.605
  100    HD2  TYR  13           1HD      TYR  13  -0.277  -2.532   2.714
  101    HE1  TYR  13           2HE      TYR  13   1.844   1.446   4.808
  102    HE2  TYR  13           1HE      TYR  13  -1.138  -1.600   4.917
  103    HH   TYR  13           HH       TYR  13   0.095  -0.167   6.869
  104    H    ASP  14           H        ASP  14   3.935  -2.229   3.772
  105    HA   ASP  14           HA       ASP  14   2.915  -4.865   4.472
  106    HB2  ASP  14           1HB      ASP  14   5.471  -3.726   4.790
  107    HB3  ASP  14           2HB      ASP  14   4.765  -3.596   6.389
  108    HD2  ASP  14           HD       ASP  14   6.913  -5.944   5.538
  109    HA   PRO  15           HA       PRO  15   0.274  -2.264   6.953
  110    HB2  PRO  15           1HB      PRO  15  -1.632  -4.145   7.495
  111    HB3  PRO  15           2HB      PRO  15  -1.664  -3.133   6.064
  112    HG2  PRO  15           1HG      PRO  15  -0.937  -5.989   6.298
  113    HG3  PRO  15           2HG      PRO  15  -1.383  -5.084   4.866
  114    HD2  PRO  15           1HD      PRO  15   1.262  -5.884   5.636
  115    HD3  PRO  15           2HD      PRO  15   0.827  -4.880   4.267
  116    H    ALA  16           H        ALA  16   1.506  -5.394   7.824
  117    HA   ALA  16           HA       ALA  16   0.943  -5.060  10.591
  118    HB1  ALA  16           1HB      ALA  16   1.141  -7.275   9.662
  119    HB2  ALA  16           2HB      ALA  16   2.757  -6.918   9.008
  120    HB3  ALA  16           3HB      ALA  16   2.516  -7.037  10.767
  121    H    GLU  17           H        GLU  17   3.071  -3.489   8.477
  122    HA   GLU  17           HA       GLU  17   4.959  -3.042  10.654
  123    HB2  GLU  17           1HB      GLU  17   5.622  -3.961   8.224
  124    HB3  GLU  17           2HB      GLU  17   5.583  -2.259   7.812
  125    HG2  GLU  17           1HG      GLU  17   7.860  -2.992   8.530
  126    HG3  GLU  17           2HG      GLU  17   7.220  -1.733   9.568
  127    HE2  GLU  17           HE       GLU  17   6.956  -2.180  11.572
  128    H    GLY  18           H        GLY  18   3.369  -1.395   7.825
  129    HA2  GLY  18           1HA      GLY  18   2.025   0.567   8.358
  130    HA3  GLY  18           2HA      GLY  18   3.288   1.068   9.465
  131    H    ASP  19           H        ASP  19   4.138   2.924   8.579
  132    HA   ASP  19           HA       ASP  19   5.797   2.705   6.382
  133    HB2  ASP  19           1HB      ASP  19   3.213   2.904   5.496
  134    HB3  ASP  19           2HB      ASP  19   3.596   4.607   5.655
  135    HD2  ASP  19           HD       ASP  19   5.290   1.797   4.163
  136    HA   PRO  20           HA       PRO  20   6.784   6.306   8.764
  137    HB2  PRO  20           1HB      PRO  20   9.328   6.673   7.837
  138    HB3  PRO  20           2HB      PRO  20   8.936   5.584   9.153
  139    HG2  PRO  20           1HG      PRO  20   9.627   4.934   6.353
  140    HG3  PRO  20           2HG      PRO  20   9.650   3.890   7.760
  141    HD2  PRO  20           1HD      PRO  20   7.663   3.939   5.692
  142    HD3  PRO  20           2HD      PRO  20   7.627   2.978   7.157
  143    H    ASP  21           H        ASP  21   7.289   6.131   5.311
  144    HA   ASP  21           HA       ASP  21   7.778   8.654   4.686
  145    HB2  ASP  21           1HB      ASP  21   6.953   6.455   3.299
  146    HB3  ASP  21           2HB      ASP  21   5.490   7.413   3.185
  147    HD2  ASP  21           HD       ASP  21   8.780   7.393   2.605
  148    H    ASN  22           H        ASN  22   4.504   7.219   5.378
  149    HA   ASN  22           HA       ASN  22   3.504   9.943   5.632
  150    HB2  ASN  22           1HB      ASN  22   2.208   7.302   4.871
  151    HB3  ASN  22           2HB      ASN  22   1.212   8.572   5.552
  152   HD21  ASN  22          1HD2      ASN  22   3.631   7.914   3.045
  153   HD22  ASN  22          2HD2      ASN  22   3.028   9.016   1.852
  154    H    GLY  23           H        GLY  23   5.068   8.667   7.728
  155    HA2  GLY  23           1HA      GLY  23   4.965   7.834   9.849
  156    HA3  GLY  23           2HA      GLY  23   3.859   9.182  10.026
  157    H    VAL  24           H        VAL  24   4.163   5.668   9.637
  158    HA   VAL  24           HA       VAL  24   1.375   5.435  10.493
  159    HB   VAL  24           HB       VAL  24   2.710   4.136   8.133
  160   HG11  VAL  24          1HG1      VAL  24   1.773   2.358   9.641
  161   HG12  VAL  24          2HG1      VAL  24   0.173   3.114   9.447
  162   HG13  VAL  24          3HG1      VAL  24   1.015   2.436   8.033
  163   HG21  VAL  24          3HG2      VAL  24   1.482   5.801   7.213
  164   HG22  VAL  24          1HG2      VAL  24   0.141   4.648   7.418
  165   HG23  VAL  24          2HG2      VAL  24   0.403   5.933   8.622
  166    H    LYS  25           H        LYS  25   0.942   3.507  11.751
  167    HA   LYS  25           HA       LYS  25   3.401   2.486  12.965
  168    HB2  LYS  25           1HB      LYS  25   0.701   3.172  13.962
  169    HB3  LYS  25           2HB      LYS  25   1.375   1.693  14.616
  170    HG2  LYS  25           1HG      LYS  25   3.117   2.788  15.696
  171    HG3  LYS  25           2HG      LYS  25   3.241   4.037  14.473
  172    HD2  LYS  25           1HD      LYS  25   0.697   3.994  16.063
  173    HD3  LYS  25           2HD      LYS  25   2.144   4.457  16.936
  174    HE2  LYS  25           1HE      LYS  25   2.622   6.235  15.281
  175    HE3  LYS  25           2HE      LYS  25   1.260   5.729  14.302
  176    HZ1  LYS  25           2HZ      LYS  25   0.161   6.131  16.771
  177    HZ3  LYS  25           1HZ      LYS  25   0.093   7.192  15.537
  178    HA   PRO  26           HA       PRO  26   2.610  -1.504  11.525
  179    HB2  PRO  26           1HB      PRO  26   3.398  -3.125  13.579
  180    HB3  PRO  26           2HB      PRO  26   4.525  -2.353  12.481
  181    HG2  PRO  26           1HG      PRO  26   3.891  -1.651  15.282
  182    HG3  PRO  26           2HG      PRO  26   5.281  -1.187  14.321
  183    HD2  PRO  26           1HD      PRO  26   3.016   0.450  14.964
  184    HD3  PRO  26           2HD      PRO  26   4.349   0.874  13.909
  185    H    GLY  27           H        GLY  27   1.213  -3.302  11.349
  186    HA2  GLY  27           1HA      GLY  27  -0.552  -4.591  12.066
  187    HA3  GLY  27           2HA      GLY  27  -0.744  -3.579  13.484
  188    H    THR  28           H        THR  28  -0.422  -1.220  11.297
  189    HA   THR  28           HA       THR  28  -3.188  -0.668  11.172
  190    HB   THR  28           HB       THR  28  -0.770   0.524   9.714
  191    HG1  THR  28           1HG      THR  28  -0.739   1.801  11.621
  192   HG21  THR  28          3HG2      THR  28  -3.545   1.671  10.329
  193   HG22  THR  28          1HG2      THR  28  -2.178   2.591   9.656
  194   HG23  THR  28          2HG2      THR  28  -2.927   1.287   8.705
  195    H    SER  29           H        SER  29  -4.298  -0.083   9.025
  196    HA   SER  29           HA       SER  29  -3.651  -2.170   7.097
  197    HB2  SER  29           1HB      SER  29  -5.597  -3.144   7.784
  198    HB3  SER  29           2HB      SER  29  -6.157  -1.690   8.587
  199    HG   SER  29           HG       SER  29  -6.937  -0.871   6.606
  200    H    PHE  30           H        PHE  30  -3.972  -1.598   4.870
  201    HA   PHE  30           HA       PHE  30  -3.556   1.059   4.239
  202    HB2  PHE  30           1HB      PHE  30  -3.286  -1.257   2.948
  203    HB3  PHE  30           2HB      PHE  30  -4.951  -1.009   2.460
  204    HD1  PHE  30           2HD      PHE  30  -5.537   0.985   1.065
  205    HD2  PHE  30           1HD      PHE  30  -1.513  -0.071   1.902
  206    HE1  PHE  30           2HE      PHE  30  -4.764   2.415  -0.847
  207    HE2  PHE  30           1HE      PHE  30  -0.740   1.358  -0.011
  208    HZ   PHE  30           HZ       PHE  30  -2.374   2.584  -1.363
  209    H    ASP  31           H        ASP  31  -6.572  -0.805   4.645
  210    HA   ASP  31           HA       ASP  31  -8.203   1.032   3.317
  211    HB2  ASP  31           1HB      ASP  31  -8.551  -1.473   4.323
  212    HB3  ASP  31           2HB      ASP  31  -9.282  -0.560   5.628
  213    HD2  ASP  31           HD       ASP  31 -11.254  -1.904   4.554
  214    H    ASP  32           H        ASP  32  -6.404   1.222   6.210
  215    HA   ASP  32           HA       ASP  32  -8.321   3.056   7.406
  216    HB2  ASP  32           1HB      ASP  32  -6.462   1.068   8.465
  217    HB3  ASP  32           2HB      ASP  32  -6.101   2.640   9.150
  218    HD2  ASP  32           HD       ASP  32  -7.414   0.551  10.887
  219    H    LEU  33           H        LEU  33  -5.979   3.173   5.178
  220    HA   LEU  33           HA       LEU  33  -4.119   5.011   6.309
  221    HB2  LEU  33           1HB      LEU  33  -4.671   3.875   3.597
  222    HB3  LEU  33           2HB      LEU  33  -3.645   5.289   3.741
  223    HG   LEU  33           HG       LEU  33  -3.138   2.712   5.246
  224   HD11  LEU  33          1HD1      LEU  33  -3.118   2.598   2.653
  225   HD12  LEU  33          2HD1      LEU  33  -1.605   3.525   2.791
  226   HD13  LEU  33          3HD1      LEU  33  -1.745   1.930   3.567
  227   HD21  LEU  33          3HD2      LEU  33  -2.089   4.624   6.278
  228   HD22  LEU  33          1HD2      LEU  33  -0.848   3.635   5.471
  229   HD23  LEU  33          2HD2      LEU  33  -1.412   5.145   4.717
  230    HA   PRO  34           HA       PRO  34  -6.171   8.727   5.531
  231    HB2  PRO  34           1HB      PRO  34  -4.185  10.439   4.761
  232    HB3  PRO  34           2HB      PRO  34  -4.468   9.989   6.431
  233    HG2  PRO  34           1HG      PRO  34  -2.325   9.085   4.606
  234    HG3  PRO  34           2HG      PRO  34  -2.389   8.994   6.355
  235    HD2  PRO  34           1HD      PRO  34  -2.822   6.843   4.507
  236    HD3  PRO  34           2HD      PRO  34  -2.999   6.780   6.249
  237    H    ALA  35           H        ALA  35  -6.804  10.511   4.008
  238    HA   ALA  35           HA       ALA  35  -7.074   9.235   1.420
  239    HB1  ALA  35           1HB      ALA  35  -8.367  11.700   1.350
  240    HB2  ALA  35           2HB      ALA  35  -9.116  10.138   1.759
  241    HB3  ALA  35           3HB      ALA  35  -8.517  11.203   3.053
  242    H    ASP  36           H        ASP  36  -4.456  10.411   2.537
  243    HA   ASP  36           HA       ASP  36  -3.986  12.088   0.211
  244    HB2  ASP  36           1HB      ASP  36  -3.902  12.925   2.949
  245    HB3  ASP  36           2HB      ASP  36  -2.235  12.819   2.420
  246    HD2  ASP  36           HD       ASP  36  -2.327  15.671   0.638
  247    H    TRP  37           H        TRP  37  -3.479   9.185   1.519
  248    HA   TRP  37           HA       TRP  37  -0.581   9.126   1.479
  249    HB2  TRP  37           1HB      TRP  37  -1.898   7.905   3.190
  250    HB3  TRP  37           2HB      TRP  37  -2.579   6.902   1.925
  251    HD1  TRP  37           HD       TRP  37   0.343   7.017   4.234
  252    HE1  TRP  37           1HE      TRP  37   2.146   5.160   3.720
  253    HE3  TRP  37           3HE      TRP  37  -1.516   5.730  -0.320
  254    HZ2  TRP  37           2HZ      TRP  37   2.582   3.401   1.515
  255    HZ3  TRP  37           3HZ      TRP  37  -0.343   3.934  -1.589
  256    HH2  TRP  37           HH       TRP  37   1.640   2.782  -0.741
  257    H    VAL  38           H        VAL  38   0.645   8.100  -0.156
  258    HA   VAL  38           HA       VAL  38  -0.779   6.829  -2.331
  259    HB   VAL  38           HB       VAL  38   0.400   8.296  -3.992
  260   HG11  VAL  38          1HG1      VAL  38  -1.445  10.085  -2.474
  261   HG12  VAL  38          2HG1      VAL  38  -1.440   9.634  -4.196
  262   HG13  VAL  38          3HG1      VAL  38  -2.070   8.497  -2.980
  263   HG21  VAL  38          3HG2      VAL  38   1.281  10.412  -3.376
  264   HG22  VAL  38          1HG2      VAL  38   0.668  10.270  -1.711
  265   HG23  VAL  38          2HG2      VAL  38   2.010   9.236  -2.257
  266    H    CYS  39           H        CYS  39   0.648   5.544  -3.679
  267    HA   CYS  39           HA       CYS  39   2.513   4.134  -2.369
  268    HB2  CYS  39           1HB      CYS  39   1.728   3.324  -4.429
  269    HB3  CYS  39           2HB      CYS  39   2.232   4.760  -5.298
  270    HA   PRO  40           HA       PRO  40   5.567   7.345  -1.994
  271    HB2  PRO  40           1HB      PRO  40   6.889   6.275   0.145
  272    HB3  PRO  40           2HB      PRO  40   5.516   7.353   0.308
  273    HG2  PRO  40           1HG      PRO  40   5.630   4.425   0.698
  274    HG3  PRO  40           2HG      PRO  40   4.416   5.560   1.253
  275    HD2  PRO  40           1HD      PRO  40   4.192   3.758  -0.967
  276    HD3  PRO  40           2HD      PRO  40   3.026   4.973  -0.481
  277    H    VAL  41           H        VAL  41   5.844   5.875  -4.166
  278    HA   VAL  41           HA       VAL  41   8.692   5.331  -4.052
  279    HB   VAL  41           HB       VAL  41   6.639   3.298  -4.947
  280   HG11  VAL  41          1HG1      VAL  41   9.566   3.571  -5.462
  281   HG12  VAL  41          2HG1      VAL  41   8.946   1.944  -5.089
  282   HG13  VAL  41          3HG1      VAL  41   8.284   2.854  -6.468
  283   HG21  VAL  41          3HG2      VAL  41   8.011   1.921  -3.187
  284   HG22  VAL  41          1HG2      VAL  41   8.439   3.526  -2.549
  285   HG23  VAL  41          2HG2      VAL  41   6.731   3.033  -2.647
  286    H    CYS  42           H        CYS  42   5.667   5.280  -6.057
  287    HA   CYS  42           HA       CYS  42   7.258   6.517  -8.181
  288    HB2  CYS  42           1HB      CYS  42   5.879   5.542  -9.789
  289    HB3  CYS  42           2HB      CYS  42   6.205   4.266  -8.632
  290    H    GLY  43           H        GLY  43   4.187   6.513  -6.290
  291    HA2  GLY  43           1HA      GLY  43   3.627   8.876  -5.603
  292    HA3  GLY  43           2HA      GLY  43   3.606   9.221  -7.321
  293    H    ALA  44           H        ALA  44   2.510   6.498  -8.029
  294    HA   ALA  44           HA       ALA  44  -0.018   6.895  -8.486
  295    HB1  ALA  44           1HB      ALA  44   1.415   4.441  -7.488
  296    HB2  ALA  44           2HB      ALA  44  -0.340   4.369  -7.778
  297    HB3  ALA  44           3HB      ALA  44   0.766   4.795  -9.107
  298    HA   PRO  45           HA       PRO  45  -2.104   7.661  -4.766
  299    HB2  PRO  45           1HB      PRO  45  -4.689   7.447  -5.626
  300    HB3  PRO  45           2HB      PRO  45  -3.721   8.890  -5.852
  301    HG2  PRO  45           1HG      PRO  45  -4.481   6.839  -7.840
  302    HG3  PRO  45           2HG      PRO  45  -3.895   8.468  -8.112
  303    HD2  PRO  45           1HD      PRO  45  -2.397   6.037  -8.384
  304    HD3  PRO  45           2HD      PRO  45  -1.782   7.671  -8.543
  305    H    LYS  46           H        LYS  46  -3.400   6.778  -3.035
  306    HA   LYS  46           HA       LYS  46  -2.832   4.098  -2.666
  307    HB2  LYS  46           1HB      LYS  46  -4.060   4.275  -0.666
  308    HB3  LYS  46           2HB      LYS  46  -3.383   5.868  -0.936
  309    HG2  LYS  46           1HG      LYS  46  -5.613   6.475  -2.095
  310    HG3  LYS  46           2HG      LYS  46  -6.246   4.965  -1.468
  311    HD2  LYS  46           1HD      LYS  46  -4.925   7.026   0.346
  312    HD3  LYS  46           2HD      LYS  46  -6.632   7.101  -0.044
  313    HE2  LYS  46           1HE      LYS  46  -5.592   4.441   0.889
  314    HE3  LYS  46           2HE      LYS  46  -5.663   5.716   2.090
  315    HZ1  LYS  46           2HZ      LYS  46  -7.769   4.201   1.432
  316    HZ3  LYS  46           1HZ      LYS  46  -8.042   5.467   0.444
  317    H    SER  47           H        SER  47  -5.434   5.692  -4.427
  318    HA   SER  47           HA       SER  47  -7.216   3.536  -4.347
  319    HB2  SER  47           1HB      SER  47  -6.976   6.133  -5.727
  320    HB3  SER  47           2HB      SER  47  -7.744   4.915  -6.726
  321    HG   SER  47           HG       SER  47  -8.711   4.840  -4.125
  322    H    GLU  48           H        GLU  48  -4.152   3.876  -5.775
  323    HA   GLU  48           HA       GLU  48  -4.850   2.084  -7.956
  324    HB2  GLU  48           1HB      GLU  48  -2.482   3.919  -7.458
  325    HB3  GLU  48           2HB      GLU  48  -2.403   2.651  -8.665
  326    HG2  GLU  48           1HG      GLU  48  -4.783   3.735  -9.386
  327    HG3  GLU  48           2HG      GLU  48  -4.073   5.153  -8.639
  328    HE2  GLU  48           HE       GLU  48  -1.616   5.685 -10.679
  329    H    PHE  49           H        PHE  49  -4.803   1.170  -5.179
  330    HA   PHE  49           HA       PHE  49  -2.528  -0.672  -5.381
  331    HB2  PHE  49           1HB      PHE  49  -3.401   1.236  -3.303
  332    HB3  PHE  49           2HB      PHE  49  -3.416  -0.395  -2.660
  333    HD1  PHE  49           1HD      PHE  49  -1.216  -1.796  -3.258
  334    HD2  PHE  49           2HD      PHE  49  -1.446   2.438  -3.110
  335    HE1  PHE  49           1HE      PHE  49   1.264  -1.674  -2.889
  336    HE2  PHE  49           2HE      PHE  49   1.033   2.561  -2.741
  337    HZ   PHE  49           HZ       PHE  49   2.359   0.503  -2.634
  338    H    GLU  50           H        GLU  50  -2.987  -2.846  -5.084
  339    HA   GLU  50           HA       GLU  50  -5.508  -3.546  -3.909
  340    HB2  GLU  50           1HB      GLU  50  -6.286  -4.872  -5.827
  341    HB3  GLU  50           2HB      GLU  50  -6.107  -3.191  -6.289
  342    HG2  GLU  50           1HG      GLU  50  -3.811  -3.741  -7.215
  343    HG3  GLU  50           2HG      GLU  50  -4.104  -5.429  -6.848
  344    HE2  GLU  50           HE       GLU  50  -6.948  -5.616  -8.297
  345    H    ALA  51           H        ALA  51  -5.663  -5.963  -3.549
  346    HA   ALA  51           HA       ALA  51  -3.039  -6.949  -2.870
  347    HB1  ALA  51           1HB      ALA  51  -5.147  -8.837  -2.369
  348    HB2  ALA  51           2HB      ALA  51  -4.223  -7.865  -1.198
  349    HB3  ALA  51           3HB      ALA  51  -5.720  -7.216  -1.910
  350    H    ALA  52           H        ALA  52  -1.825  -8.188  -4.202
  351    HA   ALA  52           HA       ALA  52  -3.118  -9.322  -6.543
  352    HB1  ALA  52           1HB      ALA  52  -0.193  -9.635  -6.030
  353    HB2  ALA  52           2HB      ALA  52  -1.051  -9.187  -7.524
  354    HB3  ALA  52           3HB      ALA  52  -0.795  -7.974  -6.246
  Start of MODEL   14
    1    H1   MET   1           H        MET   1  -7.033 -10.002  -0.313
    2    HA   MET   1           HA       MET   1  -6.365 -10.985   1.956
    3    HB2  MET   1           1HB      MET   1  -5.271 -11.374  -0.802
    4    HB3  MET   1           2HB      MET   1  -4.271 -12.064   0.461
    5    HG2  MET   1           1HG      MET   1  -5.864 -13.649   1.061
    6    HG3  MET   1           2HG      MET   1  -7.215 -12.599   0.684
    7    HE1  MET   1           3HE      MET   1  -7.414 -12.225  -2.816
    8    HE2  MET   1           1HE      MET   1  -8.570 -13.443  -2.225
    9    HE3  MET   1           2HE      MET   1  -8.119 -12.067  -1.189
   10    H    LYS   2           H        LYS   2  -5.541  -8.326   2.369
   11    HA   LYS   2           HA       LYS   2  -3.915  -7.059   3.177
   12    HB2  LYS   2           1HB      LYS   2  -3.635  -9.705   4.379
   13    HB3  LYS   2           2HB      LYS   2  -2.123  -8.820   4.392
   14    HG2  LYS   2           1HG      LYS   2  -3.226  -8.161   6.404
   15    HG3  LYS   2           2HG      LYS   2  -3.449  -6.808   5.314
   16    HD2  LYS   2           1HD      LYS   2  -5.575  -8.884   5.126
   17    HD3  LYS   2           2HD      LYS   2  -5.488  -8.088   6.685
   18    HE2  LYS   2           1HE      LYS   2  -6.269  -6.101   5.854
   19    HE3  LYS   2           2HE      LYS   2  -5.255  -6.190   4.427
   20    HZ1  LYS   2           2HZ      LYS   2  -6.901  -7.970   3.645
   21    HZ3  LYS   2           1HZ      LYS   2  -7.447  -6.436   3.639
   22    H    LYS   3           H        LYS   3  -1.284  -6.898   3.352
   23    HA   LYS   3           HA       LYS   3   0.415  -6.316   2.027
   24    HB2  LYS   3           1HB      LYS   3   0.354  -9.205   1.142
   25    HB3  LYS   3           2HB      LYS   3   1.747  -8.165   1.354
   26    HG2  LYS   3           1HG      LYS   3  -0.120  -8.984   3.628
   27    HG3  LYS   3           2HG      LYS   3   1.374  -9.817   3.248
   28    HD2  LYS   3           1HD      LYS   3   2.686  -7.781   3.686
   29    HD3  LYS   3           2HD      LYS   3   1.225  -6.837   3.898
   30    HE2  LYS   3           1HE      LYS   3   1.897  -7.330   6.122
   31    HE3  LYS   3           2HE      LYS   3   0.624  -8.494   5.812
   32    HZ1  LYS   3           2HZ      LYS   3   2.425  -9.717   6.708
   33    HZ3  LYS   3           1HZ      LYS   3   3.542  -8.996   5.767
   34    H    TYR   4           H        TYR   4  -0.476  -4.819   0.575
   35    HA   TYR   4           HA       TYR   4  -1.497  -5.935  -1.935
   36    HB2  TYR   4           1HB      TYR   4  -1.405  -2.990  -1.209
   37    HB3  TYR   4           2HB      TYR   4  -2.684  -3.862  -2.030
   38    HD1  TYR   4           1HD      TYR   4  -1.194  -3.137   1.286
   39    HD2  TYR   4           2HD      TYR   4  -4.511  -4.838  -0.815
   40    HE1  TYR   4           1HE      TYR   4  -2.517  -3.253   3.453
   41    HE2  TYR   4           2HE      TYR   4  -5.823  -4.948   1.360
   42    HH   TYR   4           HH       TYR   4  -5.260  -3.256   3.889
   43    H    VAL   5           H        VAL   5  -1.025  -3.812  -3.663
   44    HA   VAL   5           HA       VAL   5   1.805  -3.213  -3.543
   45    HB   VAL   5           HB       VAL   5   1.439  -5.510  -4.609
   46   HG11  VAL   5          1HG1      VAL   5   0.387  -5.757  -6.617
   47   HG12  VAL   5          2HG1      VAL   5  -0.539  -4.362  -6.016
   48   HG13  VAL   5          3HG1      VAL   5   0.798  -4.114  -7.164
   49   HG21  VAL   5          3HG2      VAL   5   2.872  -3.317  -6.146
   50   HG22  VAL   5          1HG2      VAL   5   3.534  -4.291  -4.811
   51   HG23  VAL   5          2HG2      VAL   5   3.134  -5.064  -6.364
   52    H    CYS   6           H        CYS   6   2.345  -1.357  -4.754
   53    HA   CYS   6           HA       CYS   6   0.550   0.596  -4.991
   54    HB2  CYS   6           1HB      CYS   6   2.677   1.343  -5.284
   55    HB3  CYS   6           2HB      CYS   6   3.128   0.024  -6.347
   56    H    THR   7           H        THR   7   1.400  -1.879  -7.496
   57    HA   THR   7           HA       THR   7   0.268  -2.651  -9.249
   58    HB   THR   7           HB       THR   7  -2.044  -1.155  -7.908
   59    HG1  THR   7           1HG      THR   7  -2.337  -3.284  -7.041
   60   HG21  THR   7          3HG2      THR   7  -3.112  -1.628  -9.914
   61   HG22  THR   7          1HG2      THR   7  -1.878  -2.816 -10.398
   62   HG23  THR   7          2HG2      THR   7  -3.154  -3.278  -9.246
   63    H    VAL   8           H        VAL   8   1.898  -0.311  -9.461
   64    HA   VAL   8           HA       VAL   8   0.783   0.685 -11.926
   65    HB   VAL   8           HB       VAL   8   1.677   2.753  -9.957
   66   HG11  VAL   8          1HG1      VAL   8   0.052   2.650 -12.485
   67   HG12  VAL   8          2HG1      VAL   8  -0.180   3.991 -11.337
   68   HG13  VAL   8          3HG1      VAL   8   1.423   3.701 -12.056
   69   HG21  VAL   8          3HG2      VAL   8  -1.181   1.742 -10.141
   70   HG22  VAL   8          1HG2      VAL   8  -0.065   1.408  -8.794
   71   HG23  VAL   8          2HG2      VAL   8  -0.578   3.079  -9.132
   72    H    CYS   9           H        CYS   9   3.381   0.781  -9.423
   73    HA   CYS   9           HA       CYS   9   5.284   0.807 -11.649
   74    HB2  CYS   9           1HB      CYS   9   6.709   2.281 -10.578
   75    HB3  CYS   9           2HB      CYS   9   5.122   2.974 -10.313
   76    H    GLY  10           H        GLY  10   4.678   0.037  -8.150
   77    HA2  GLY  10           1HA      GLY  10   4.981  -2.472  -7.814
   78    HA3  GLY  10           2HA      GLY  10   6.619  -2.174  -8.363
   79    H    TYR  11           H        TYR  11   4.432  -2.093  -5.673
   80    HA   TYR  11           HA       TYR  11   6.550  -1.589  -3.862
   81    HB2  TYR  11           1HB      TYR  11   6.016   0.745  -4.669
   82    HB3  TYR  11           2HB      TYR  11   4.315   0.476  -4.349
   83    HD1  TYR  11           2HD      TYR  11   7.584   0.304  -2.501
   84    HD2  TYR  11           1HD      TYR  11   3.445   1.384  -2.402
   85    HE1  TYR  11           2HE      TYR  11   7.873   1.224  -0.149
   86    HE2  TYR  11           1HE      TYR  11   3.749   2.301  -0.050
   87    HH   TYR  11           HH       TYR  11   6.491   3.146   1.213
   88    H    GLU  12           H        GLU  12   6.026  -3.248  -2.508
   89    HA   GLU  12           HA       GLU  12   3.240  -3.725  -1.977
   90    HB2  GLU  12           1HB      GLU  12   5.796  -5.231  -1.670
   91    HB3  GLU  12           2HB      GLU  12   4.592  -5.555  -0.439
   92    HG2  GLU  12           1HG      GLU  12   3.175  -6.614  -1.908
   93    HG3  GLU  12           2HG      GLU  12   3.491  -5.472  -3.199
   94    HE2  GLU  12           HE       GLU  12   3.558  -8.129  -3.899
   95    H    TYR  13           H        TYR  13   2.173  -2.960  -0.198
   96    HA   TYR  13           HA       TYR  13   3.805  -1.673   1.859
   97    HB2  TYR  13           1HB      TYR  13   2.053  -0.286   0.873
   98    HB3  TYR  13           2HB      TYR  13   0.917  -1.620   0.837
   99    HD1  TYR  13           1HD      TYR  13  -0.335  -2.267   2.844
  100    HD2  TYR  13           2HD      TYR  13   2.426   1.000   2.922
  101    HE1  TYR  13           1HE      TYR  13  -1.326  -1.473   5.046
  102    HE2  TYR  13           2HE      TYR  13   1.426   1.783   5.125
  103    HH   TYR  13           HH       TYR  13  -0.284  -0.036   7.073
  104    H    ASP  14           H        ASP  14   3.770  -2.291   4.012
  105    HA   ASP  14           HA       ASP  14   2.347  -4.779   4.491
  106    HB2  ASP  14           1HB      ASP  14   4.942  -3.638   5.333
  107    HB3  ASP  14           2HB      ASP  14   4.036  -4.297   6.681
  108    HD2  ASP  14           HD       ASP  14   5.080  -7.383   6.081
  109    HA   PRO  15           HA       PRO  15  -0.130  -2.153   7.081
  110    HB2  PRO  15           1HB      PRO  15  -2.118  -3.955   7.602
  111    HB3  PRO  15           2HB      PRO  15  -2.105  -2.926   6.183
  112    HG2  PRO  15           1HG      PRO  15  -1.505  -5.813   6.383
  113    HG3  PRO  15           2HG      PRO  15  -1.910  -4.872   4.962
  114    HD2  PRO  15           1HD      PRO  15   0.696  -5.797   5.722
  115    HD3  PRO  15           2HD      PRO  15   0.307  -4.760   4.364
  116    H    ALA  16           H        ALA  16   0.947  -5.351   7.918
  117    HA   ALA  16           HA       ALA  16   0.457  -4.918  10.709
  118    HB1  ALA  16           1HB      ALA  16   0.296  -7.161  10.084
  119    HB2  ALA  16           2HB      ALA  16   1.695  -7.064   8.987
  120    HB3  ALA  16           3HB      ALA  16   1.946  -7.087  10.749
  121    H    GLU  17           H        GLU  17   2.701  -3.706   8.488
  122    HA   GLU  17           HA       GLU  17   4.562  -3.238  10.678
  123    HB2  GLU  17           1HB      GLU  17   5.336  -4.944   8.863
  124    HB3  GLU  17           2HB      GLU  17   5.488  -3.557   7.804
  125    HG2  GLU  17           1HG      GLU  17   7.652  -4.000   8.873
  126    HG3  GLU  17           2HG      GLU  17   7.027  -2.466   9.446
  127    HE2  GLU  17           HE       GLU  17   7.626  -3.316  12.504
  128    H    GLY  18           H        GLY  18   2.227  -1.717   9.467
  129    HA2  GLY  18           1HA      GLY  18   1.726   0.336   8.667
  130    HA3  GLY  18           2HA      GLY  18   3.070   0.844   9.672
  131    H    ASP  19           H        ASP  19   4.001   2.433   8.377
  132    HA   ASP  19           HA       ASP  19   5.737   1.628   6.417
  133    HB2  ASP  19           1HB      ASP  19   3.369   1.428   5.242
  134    HB3  ASP  19           2HB      ASP  19   3.453   3.176   5.156
  135    HD2  ASP  19           HD       ASP  19   5.342   3.981   4.136
  136    HA   PRO  20           HA       PRO  20   6.715   5.745   7.672
  137    HB2  PRO  20           1HB      PRO  20   9.207   5.919   6.564
  138    HB3  PRO  20           2HB      PRO  20   8.901   5.180   8.123
  139    HG2  PRO  20           1HG      PRO  20   9.494   3.874   5.538
  140    HG3  PRO  20           2HG      PRO  20   9.606   3.209   7.156
  141    HD2  PRO  20           1HD      PRO  20   7.534   2.712   5.235
  142    HD3  PRO  20           2HD      PRO  20   7.587   2.140   6.891
  143    H    ASP  21           H        ASP  21   8.110   7.697   6.414
  144    HA   ASP  21           HA       ASP  21   8.188   8.941   4.569
  145    HB2  ASP  21           1HB      ASP  21   7.384   6.769   3.285
  146    HB3  ASP  21           2HB      ASP  21   5.804   7.523   3.338
  147    HD2  ASP  21           HD       ASP  21   8.672   7.370   1.822
  148    H    ASN  22           H        ASN  22   5.103   7.770   5.977
  149    HA   ASN  22           HA       ASN  22   4.137  10.520   5.865
  150    HB2  ASN  22           1HB      ASN  22   2.678   7.869   5.536
  151    HB3  ASN  22           2HB      ASN  22   1.802   9.274   6.113
  152   HD21  ASN  22          1HD2      ASN  22   3.991   8.172   3.547
  153   HD22  ASN  22          2HD2      ASN  22   3.340   9.137   2.264
  154    H    GLY  23           H        GLY  23   4.338   7.369   7.608
  155    HA2  GLY  23           1HA      GLY  23   4.919   7.478   9.958
  156    HA3  GLY  23           2HA      GLY  23   3.781   8.798  10.137
  157    H    VAL  24           H        VAL  24   3.960   5.332   9.080
  158    HA   VAL  24           HA       VAL  24   1.252   5.014  10.179
  159    HB   VAL  24           HB       VAL  24   2.636   3.682   7.851
  160   HG11  VAL  24          1HG1      VAL  24   0.952   2.064   7.694
  161   HG12  VAL  24          2HG1      VAL  24   1.319   2.112   9.435
  162   HG13  VAL  24          3HG1      VAL  24  -0.128   2.937   8.807
  163   HG21  VAL  24          3HG2      VAL  24  -0.080   4.645   7.444
  164   HG22  VAL  24          1HG2      VAL  24   0.998   5.942   8.012
  165   HG23  VAL  24          2HG2      VAL  24   1.410   5.020   6.546
  166    H    LYS  25           H        LYS  25   1.059   3.688  11.918
  167    HA   LYS  25           HA       LYS  25   3.457   2.381  12.846
  168    HB2  LYS  25           1HB      LYS  25   2.386   2.223  14.917
  169    HB3  LYS  25           2HB      LYS  25   1.833   3.754  14.268
  170    HG2  LYS  25           1HG      LYS  25  -0.330   3.062  14.281
  171    HG3  LYS  25           2HG      LYS  25   0.064   1.625  13.360
  172    HD2  LYS  25           1HD      LYS  25  -0.086   0.317  15.208
  173    HD3  LYS  25           2HD      LYS  25   1.066   1.316  16.072
  174    HE2  LYS  25           1HE      LYS  25  -0.575   2.502  17.172
  175    HE3  LYS  25           2HE      LYS  25  -1.629   2.549  15.773
  176    HZ1  LYS  25           2HZ      LYS  25  -1.327   0.344  17.718
  177    HZ3  LYS  25           1HZ      LYS  25  -1.980   0.065  16.252
  178    HA   PRO  26           HA       PRO  26   2.368  -1.619  11.645
  179    HB2  PRO  26           1HB      PRO  26   3.213  -3.192  13.714
  180    HB3  PRO  26           2HB      PRO  26   4.299  -2.528  12.509
  181    HG2  PRO  26           1HG      PRO  26   3.896  -1.676  15.311
  182    HG3  PRO  26           2HG      PRO  26   5.238  -1.327  14.240
  183    HD2  PRO  26           1HD      PRO  26   3.108   0.454  14.958
  184    HD3  PRO  26           2HD      PRO  26   4.385   0.761  13.798
  185    H    GLY  27           H        GLY  27   0.779  -3.192  11.529
  186    HA2  GLY  27           1HA      GLY  27  -0.974  -4.403  12.450
  187    HA3  GLY  27           2HA      GLY  27  -1.009  -3.335  13.840
  188    H    THR  28           H        THR  28  -0.650  -1.436  11.036
  189    HA   THR  28           HA       THR  28  -3.501  -0.778  11.116
  190    HB   THR  28           HB       THR  28  -1.144   0.722   9.864
  191    HG1  THR  28           1HG      THR  28  -1.409   1.885  11.996
  192   HG21  THR  28          3HG2      THR  28  -3.875   1.215   9.628
  193   HG22  THR  28          1HG2      THR  28  -3.451   2.151  11.082
  194   HG23  THR  28          2HG2      THR  28  -2.613   2.468   9.543
  195    H    SER  29           H        SER  29  -4.828  -0.729   9.298
  196    HA   SER  29           HA       SER  29  -3.820  -2.430   7.185
  197    HB2  SER  29           1HB      SER  29  -6.136  -2.834   6.615
  198    HB3  SER  29           2HB      SER  29  -5.984  -2.979   8.355
  199    HG   SER  29           HG       SER  29  -6.540  -0.367   7.663
  200    H    PHE  30           H        PHE  30  -3.910  -1.802   4.946
  201    HA   PHE  30           HA       PHE  30  -3.344   0.861   4.439
  202    HB2  PHE  30           1HB      PHE  30  -2.843  -1.288   3.085
  203    HB3  PHE  30           2HB      PHE  30  -4.521  -1.289   2.578
  204    HD1  PHE  30           2HD      PHE  30  -5.355   0.847   1.353
  205    HD2  PHE  30           1HD      PHE  30  -1.257  -0.150   1.822
  206    HE1  PHE  30           2HE      PHE  30  -4.771   2.338  -0.579
  207    HE2  PHE  30           1HE      PHE  30  -0.673   1.342  -0.110
  208    HZ   PHE  30           HZ       PHE  30  -2.437   2.568  -1.288
  209    H    ASP  31           H        ASP  31  -6.409  -0.763   4.864
  210    HA   ASP  31           HA       ASP  31  -7.908   0.962   3.229
  211    HB2  ASP  31           1HB      ASP  31  -8.364  -1.393   4.658
  212    HB3  ASP  31           2HB      ASP  31  -9.287  -0.220   5.576
  213    HD2  ASP  31           HD       ASP  31 -11.532   0.532   3.878
  214    H    ASP  32           H        ASP  32  -6.201   1.408   6.138
  215    HA   ASP  32           HA       ASP  32  -8.114   3.349   7.139
  216    HB2  ASP  32           1HB      ASP  32  -6.582   1.443   8.450
  217    HB3  ASP  32           2HB      ASP  32  -5.587   2.873   8.641
  218    HD2  ASP  32           HD       ASP  32  -8.186   4.690   9.987
  219    H    LEU  33           H        LEU  33  -5.238   2.960   5.272
  220    HA   LEU  33           HA       LEU  33  -3.678   5.109   6.025
  221    HB2  LEU  33           1HB      LEU  33  -4.089   3.568   3.495
  222    HB3  LEU  33           2HB      LEU  33  -3.109   5.021   3.458
  223    HG   LEU  33           HG       LEU  33  -2.596   2.696   5.330
  224   HD11  LEU  33          1HD1      LEU  33  -1.342   3.303   2.639
  225   HD12  LEU  33          2HD1      LEU  33  -0.753   2.088   3.799
  226   HD13  LEU  33          3HD1      LEU  33  -2.361   1.905   3.056
  227   HD21  LEU  33          3HD2      LEU  33  -0.468   3.712   5.754
  228   HD22  LEU  33          1HD2      LEU  33  -0.766   4.973   4.534
  229   HD23  LEU  33          2HD2      LEU  33  -1.734   4.933   6.026
  230    HA   PRO  34           HA       PRO  34  -5.934   8.571   4.778
  231    HB2  PRO  34           1HB      PRO  34  -3.948  10.416   4.431
  232    HB3  PRO  34           2HB      PRO  34  -4.587   9.981   6.004
  233    HG2  PRO  34           1HG      PRO  34  -2.013   9.209   4.772
  234    HG3  PRO  34           2HG      PRO  34  -2.484   9.150   6.459
  235    HD2  PRO  34           1HD      PRO  34  -2.312   6.934   4.646
  236    HD3  PRO  34           2HD      PRO  34  -2.894   6.894   6.299
  237    H    ALA  35           H        ALA  35  -6.984   9.347   3.031
  238    HA   ALA  35           HA       ALA  35  -6.534   8.283   0.593
  239    HB1  ALA  35           1HB      ALA  35  -7.720  10.395  -0.253
  240    HB2  ALA  35           2HB      ALA  35  -8.549   9.479   1.028
  241    HB3  ALA  35           3HB      ALA  35  -7.667  10.972   1.430
  242    H    ASP  36           H        ASP  36  -5.133  11.353   1.908
  243    HA   ASP  36           HA       ASP  36  -3.859  12.203  -0.313
  244    HB2  ASP  36           1HB      ASP  36  -2.144  13.178   1.312
  245    HB3  ASP  36           2HB      ASP  36  -3.817  13.562   1.662
  246    HD2  ASP  36           HD       ASP  36  -3.366  12.900   4.758
  247    H    TRP  37           H        TRP  37  -2.964   9.628   2.031
  248    HA   TRP  37           HA       TRP  37  -0.337   9.211   1.441
  249    HB2  TRP  37           1HB      TRP  37  -1.677   8.070   3.188
  250    HB3  TRP  37           2HB      TRP  37  -2.424   7.084   1.947
  251    HD1  TRP  37           HD       TRP  37   0.644   7.205   4.120
  252    HE1  TRP  37           1HE      TRP  37   2.314   5.222   3.630
  253    HE3  TRP  37           3HE      TRP  37  -1.598   5.685  -0.184
  254    HZ2  TRP  37           2HZ      TRP  37   2.506   3.283   1.545
  255    HZ3  TRP  37           3HZ      TRP  37  -0.606   3.739  -1.385
  256    HH2  TRP  37           HH       TRP  37   1.375   2.549  -0.587
  257    H    VAL  38           H        VAL  38   0.817   8.124  -0.205
  258    HA   VAL  38           HA       VAL  38  -0.604   6.754  -2.278
  259    HB   VAL  38           HB       VAL  38   0.317   8.284  -4.062
  260   HG11  VAL  38          1HG1      VAL  38  -1.706   9.802  -2.445
  261   HG12  VAL  38          2HG1      VAL  38  -1.669   9.453  -4.190
  262   HG13  VAL  38          3HG1      VAL  38  -2.110   8.172  -3.036
  263   HG21  VAL  38          3HG2      VAL  38   0.569  10.705  -3.301
  264   HG22  VAL  38          1HG2      VAL  38   0.734  10.065  -1.648
  265   HG23  VAL  38          2HG2      VAL  38   1.910   9.604  -2.903
  266    H    CYS  39           H        CYS  39   0.828   5.496  -3.592
  267    HA   CYS  39           HA       CYS  39   2.907   4.352  -2.431
  268    HB2  CYS  39           1HB      CYS  39   2.154   3.437  -4.444
  269    HB3  CYS  39           2HB      CYS  39   2.405   4.924  -5.337
  270    HA   PRO  40           HA       PRO  40   5.635   7.855  -2.180
  271    HB2  PRO  40           1HB      PRO  40   7.151   6.926  -0.105
  272    HB3  PRO  40           2HB      PRO  40   5.685   7.859   0.122
  273    HG2  PRO  40           1HG      PRO  40   6.113   4.958   0.495
  274    HG3  PRO  40           2HG      PRO  40   4.815   5.964   1.108
  275    HD2  PRO  40           1HD      PRO  40   4.678   4.147  -1.108
  276    HD3  PRO  40           2HD      PRO  40   3.418   5.238  -0.567
  277    H    VAL  41           H        VAL  41   5.902   6.145  -4.297
  278    HA   VAL  41           HA       VAL  41   8.819   5.953  -4.319
  279    HB   VAL  41           HB       VAL  41   7.040   3.798  -5.452
  280   HG11  VAL  41          1HG1      VAL  41   9.772   4.403  -5.752
  281   HG12  VAL  41          2HG1      VAL  41   9.709   3.012  -4.644
  282   HG13  VAL  41          3HG1      VAL  41   8.931   2.912  -6.242
  283   HG21  VAL  41          3HG2      VAL  41   8.526   3.568  -2.827
  284   HG22  VAL  41          1HG2      VAL  41   6.823   4.076  -2.916
  285   HG23  VAL  41          2HG2      VAL  41   7.305   2.471  -3.515
  286    H    CYS  42           H        CYS  42   5.768   5.634  -6.267
  287    HA   CYS  42           HA       CYS  42   7.183   7.062  -8.396
  288    HB2  CYS  42           1HB      CYS  42   5.898   5.968  -9.991
  289    HB3  CYS  42           2HB      CYS  42   6.316   4.717  -8.838
  290    H    GLY  43           H        GLY  43   4.262   6.804  -6.329
  291    HA2  GLY  43           1HA      GLY  43   3.352   8.927  -5.567
  292    HA3  GLY  43           2HA      GLY  43   3.490   9.522  -7.209
  293    H    ALA  44           H        ALA  44   2.597   6.152  -6.911
  294    HA   ALA  44           HA       ALA  44   0.162   6.556  -8.238
  295    HB1  ALA  44           1HB      ALA  44  -0.020   4.057  -7.087
  296    HB2  ALA  44           2HB      ALA  44   0.818   4.419  -8.615
  297    HB3  ALA  44           3HB      ALA  44   1.738   4.334  -7.094
  298    HA   PRO  45           HA       PRO  45  -2.402   7.522  -4.878
  299    HB2  PRO  45           1HB      PRO  45  -4.843   7.195  -6.062
  300    HB3  PRO  45           2HB      PRO  45  -3.876   8.645  -6.244
  301    HG2  PRO  45           1HG      PRO  45  -4.328   6.463  -8.187
  302    HG3  PRO  45           2HG      PRO  45  -3.736   8.087  -8.478
  303    HD2  PRO  45           1HD      PRO  45  -2.176   5.682  -8.396
  304    HD3  PRO  45           2HD      PRO  45  -1.572   7.317  -8.571
  305    H    LYS  46           H        LYS  46  -3.436   6.649  -3.110
  306    HA   LYS  46           HA       LYS  46  -3.097   3.920  -2.797
  307    HB2  LYS  46           1HB      LYS  46  -4.042   4.207  -0.690
  308    HB3  LYS  46           2HB      LYS  46  -3.374   5.786  -1.049
  309    HG2  LYS  46           1HG      LYS  46  -5.460   6.550  -0.496
  310    HG3  LYS  46           2HG      LYS  46  -5.881   6.076  -2.130
  311    HD2  LYS  46           1HD      LYS  46  -7.533   4.948  -0.924
  312    HD3  LYS  46           2HD      LYS  46  -6.315   3.694  -1.041
  313    HE2  LYS  46           1HE      LYS  46  -6.721   3.610   1.247
  314    HE3  LYS  46           2HE      LYS  46  -5.422   4.785   1.235
  315    HZ1  LYS  46           2HZ      LYS  46  -8.289   5.554   1.142
  316    HZ3  LYS  46           1HZ      LYS  46  -7.026   6.559   1.357
  317    H    SER  47           H        SER  47  -5.476   5.682  -4.585
  318    HA   SER  47           HA       SER  47  -7.530   3.752  -4.282
  319    HB2  SER  47           1HB      SER  47  -7.277   6.374  -5.351
  320    HB3  SER  47           2HB      SER  47  -7.759   5.366  -6.701
  321    HG   SER  47           HG       SER  47  -9.394   4.492  -4.950
  322    H    GLU  48           H        GLU  48  -4.582   3.972  -6.071
  323    HA   GLU  48           HA       GLU  48  -5.588   2.134  -8.083
  324    HB2  GLU  48           1HB      GLU  48  -3.118   3.894  -7.924
  325    HB3  GLU  48           2HB      GLU  48  -3.233   2.600  -9.099
  326    HG2  GLU  48           1HG      GLU  48  -5.405   3.595  -9.928
  327    HG3  GLU  48           2HG      GLU  48  -5.193   4.925  -8.806
  328    HE2  GLU  48           HE       GLU  48  -3.200   6.679 -10.123
  329    H    PHE  49           H        PHE  49  -4.988   1.527  -5.151
  330    HA   PHE  49           HA       PHE  49  -2.763  -0.336  -5.526
  331    HB2  PHE  49           1HB      PHE  49  -4.040   1.244  -3.303
  332    HB3  PHE  49           2HB      PHE  49  -3.526  -0.366  -2.841
  333    HD1  PHE  49           1HD      PHE  49  -2.296   2.785  -4.376
  334    HD2  PHE  49           2HD      PHE  49  -1.280  -0.795  -2.336
  335    HE1  PHE  49           1HE      PHE  49   0.052   3.619  -4.081
  336    HE2  PHE  49           2HE      PHE  49   1.068   0.040  -2.041
  337    HZ   PHE  49           HZ       PHE  49   1.707   2.237  -2.917
  338    H    GLU  50           H        GLU  50  -3.061  -2.546  -5.406
  339    HA   GLU  50           HA       GLU  50  -5.742  -3.402  -4.651
  340    HB2  GLU  50           1HB      GLU  50  -5.755  -3.601  -7.024
  341    HB3  GLU  50           2HB      GLU  50  -4.102  -4.183  -7.080
  342    HG2  GLU  50           1HG      GLU  50  -4.687  -6.350  -6.363
  343    HG3  GLU  50           2HG      GLU  50  -6.144  -5.807  -5.555
  344    HE2  GLU  50           HE       GLU  50  -6.926  -7.764  -8.078
  345    H    ALA  51           H        ALA  51  -5.873  -5.501  -3.620
  346    HA   ALA  51           HA       ALA  51  -3.458  -6.147  -2.195
  347    HB1  ALA  51           1HB      ALA  51  -4.869  -7.230  -0.713
  348    HB2  ALA  51           2HB      ALA  51  -6.001  -6.052  -1.419
  349    HB3  ALA  51           3HB      ALA  51  -5.999  -7.737  -1.992
  350    H    ALA  52           H        ALA  52  -1.958  -7.553  -2.939
  351    HA   ALA  52           HA       ALA  52  -2.439  -9.097  -5.256
  352    HB1  ALA  52           1HB      ALA  52  -0.239  -8.208  -3.707
  353    HB2  ALA  52           2HB      ALA  52  -0.158  -9.986  -3.705
  354    HB3  ALA  52           3HB      ALA  52  -0.192  -9.098  -5.248
  Start of MODEL   15
    1    H1   MET   1           H        MET   1  -3.705 -12.754   1.268
    2    HA   MET   1           HA       MET   1  -5.729 -11.691   0.697
    3    HB2  MET   1           1HB      MET   1  -6.753 -12.714   2.924
    4    HB3  MET   1           2HB      MET   1  -6.202 -11.231   3.677
    5    HG2  MET   1           1HG      MET   1  -7.475 -10.234   1.432
    6    HG3  MET   1           2HG      MET   1  -8.442 -11.659   1.756
    7    HE1  MET   1           3HE      MET   1  -9.877  -9.624   1.615
    8    HE2  MET   1           1HE      MET   1 -10.847  -9.557   3.106
    9    HE3  MET   1           2HE      MET   1  -9.758  -8.212   2.692
   10    H    LYS   2           H        LYS   2  -4.190 -10.667   3.839
   11    HA   LYS   2           HA       LYS   2  -4.123  -7.968   3.247
   12    HB2  LYS   2           1HB      LYS   2  -2.668  -9.778   5.136
   13    HB3  LYS   2           2HB      LYS   2  -2.068  -8.146   4.926
   14    HG2  LYS   2           1HG      LYS   2  -4.977  -8.812   5.579
   15    HG3  LYS   2           2HG      LYS   2  -3.776  -8.408   6.790
   16    HD2  LYS   2           1HD      LYS   2  -3.770  -6.169   6.242
   17    HD3  LYS   2           2HD      LYS   2  -3.935  -6.478   4.524
   18    HE2  LYS   2           1HE      LYS   2  -6.261  -7.001   6.410
   19    HE3  LYS   2           2HE      LYS   2  -5.948  -5.382   5.816
   20    HZ1  LYS   2           2HZ      LYS   2  -6.051  -7.567   3.856
   21    HZ3  LYS   2           1HZ      LYS   2  -6.466  -6.004   3.663
   22    H    LYS   3           H        LYS   3  -1.493  -7.057   3.461
   23    HA   LYS   3           HA       LYS   3   0.227  -6.494   2.197
   24    HB2  LYS   3           1HB      LYS   3   0.174  -9.441   1.490
   25    HB3  LYS   3           2HB      LYS   3   1.470  -8.350   1.044
   26    HG2  LYS   3           1HG      LYS   3   0.576  -8.516   3.938
   27    HG3  LYS   3           2HG      LYS   3   1.643  -9.745   3.287
   28    HD2  LYS   3           1HD      LYS   3   2.523  -7.026   2.558
   29    HD3  LYS   3           2HD      LYS   3   2.414  -7.234   4.295
   30    HE2  LYS   3           1HE      LYS   3   4.084  -8.864   4.354
   31    HE3  LYS   3           2HE      LYS   3   3.719  -9.458   2.746
   32    HZ1  LYS   3           2HZ      LYS   3   4.634  -6.755   2.654
   33    HZ3  LYS   3           1HZ      LYS   3   5.237  -8.057   1.884
   34    H    TYR   4           H        TYR   4  -0.287  -5.016   0.669
   35    HA   TYR   4           HA       TYR   4  -1.717  -6.001  -1.701
   36    HB2  TYR   4           1HB      TYR   4  -1.266  -3.079  -1.050
   37    HB3  TYR   4           2HB      TYR   4  -2.713  -3.838  -1.685
   38    HD1  TYR   4           2HD      TYR   4  -0.743  -3.294   1.421
   39    HD2  TYR   4           1HD      TYR   4  -4.493  -4.501  -0.247
   40    HE1  TYR   4           2HE      TYR   4  -1.799  -3.232   3.733
   41    HE2  TYR   4           1HE      TYR   4  -5.537  -4.435   2.070
   42    HH   TYR   4           HH       TYR   4  -4.722  -4.667   4.417
   43    H    VAL   5           H        VAL   5  -1.184  -4.024  -3.526
   44    HA   VAL   5           HA       VAL   5   1.618  -3.465  -3.629
   45    HB   VAL   5           HB       VAL   5   0.404  -5.589  -5.401
   46   HG11  VAL   5          1HG1      VAL   5   2.173  -3.599  -6.237
   47   HG12  VAL   5          2HG1      VAL   5   3.216  -5.001  -5.897
   48   HG13  VAL   5          3HG1      VAL   5   1.862  -5.156  -7.042
   49   HG21  VAL   5          3HG2      VAL   5   1.219  -6.604  -3.437
   50   HG22  VAL   5          1HG2      VAL   5   2.528  -6.808  -4.625
   51   HG23  VAL   5          2HG2      VAL   5   2.649  -5.546  -3.376
   52    H    CYS   6           H        CYS   6   2.028  -1.752  -5.034
   53    HA   CYS   6           HA       CYS   6  -0.228  -0.291  -5.852
   54    HB2  CYS   6           1HB      CYS   6   1.657   0.945  -5.204
   55    HB3  CYS   6           2HB      CYS   6   2.736   0.033  -6.241
   56    H    THR   7           H        THR   7  -0.857   0.251  -8.081
   57    HA   THR   7           HA       THR   7  -0.523  -2.015  -9.851
   58    HB   THR   7           HB       THR   7  -2.250  -0.662 -11.176
   59    HG1  THR   7           1HG      THR   7  -2.139   1.453 -10.510
   60   HG21  THR   7          3HG2      THR   7  -4.077  -0.867  -9.522
   61   HG22  THR   7          1HG2      THR   7  -3.011  -2.286  -9.391
   62   HG23  THR   7          2HG2      THR   7  -2.894  -0.972  -8.196
   63    H    VAL   8           H        VAL   8  -0.216   1.575 -10.314
   64    HA   VAL   8           HA       VAL   8   0.999   1.613 -12.690
   65    HB   VAL   8           HB       VAL   8   1.953   3.265 -10.351
   66   HG11  VAL   8          1HG1      VAL   8   3.202   3.681 -12.368
   67   HG12  VAL   8          2HG1      VAL   8   1.707   3.809 -13.326
   68   HG13  VAL   8          3HG1      VAL   8   2.090   5.046 -12.106
   69   HG21  VAL   8          3HG2      VAL   8  -0.009   4.796 -11.268
   70   HG22  VAL   8          1HG2      VAL   8  -0.697   3.226 -11.747
   71   HG23  VAL   8          2HG2      VAL   8  -0.307   3.543 -10.040
   72    H    CYS   9           H        CYS   9   2.706   1.122  -9.523
   73    HA   CYS   9           HA       CYS   9   4.838  -0.146 -11.082
   74    HB2  CYS   9           1HB      CYS   9   6.503   0.897  -9.925
   75    HB3  CYS   9           2HB      CYS   9   5.315   2.181 -10.030
   76    H    GLY  10           H        GLY  10   6.123  -1.736  -9.622
   77    HA2  GLY  10           1HA      GLY  10   4.391  -3.622  -8.511
   78    HA3  GLY  10           2HA      GLY  10   6.133  -3.571  -8.326
   79    H    TYR  11           H        TYR  11   7.080  -2.729  -6.427
   80    HA   TYR  11           HA       TYR  11   7.163  -2.313  -4.247
   81    HB2  TYR  11           1HB      TYR  11   6.447  -0.081  -5.241
   82    HB3  TYR  11           2HB      TYR  11   4.769  -0.555  -5.073
   83    HD1  TYR  11           2HD      TYR  11   7.751  -0.593  -2.779
   84    HD2  TYR  11           1HD      TYR  11   3.694   0.619  -3.394
   85    HE1  TYR  11           2HE      TYR  11   7.692   0.422  -0.448
   86    HE2  TYR  11           1HE      TYR  11   3.649   1.629  -1.062
   87    HH   TYR  11           HH       TYR  11   4.705   1.858   0.818
   88    H    GLU  12           H        GLU  12   5.774  -2.111  -2.092
   89    HA   GLU  12           HA       GLU  12   3.263  -3.385  -2.166
   90    HB2  GLU  12           1HB      GLU  12   3.841  -5.477  -1.041
   91    HB3  GLU  12           2HB      GLU  12   4.722  -5.370  -2.552
   92    HG2  GLU  12           1HG      GLU  12   6.653  -4.322  -1.128
   93    HG3  GLU  12           2HG      GLU  12   5.779  -4.927   0.266
   94    HE2  GLU  12           HE       GLU  12   6.732  -7.986   0.082
   95    H    TYR  13           H        TYR  13   2.128  -2.862  -0.298
   96    HA   TYR  13           HA       TYR  13   3.625  -1.331   1.674
   97    HB2  TYR  13           1HB      TYR  13   1.569  -0.365   0.698
   98    HB3  TYR  13           2HB      TYR  13   0.692  -1.865   0.928
   99    HD1  TYR  13           1HD      TYR  13   2.748   0.297   3.217
  100    HD2  TYR  13           2HD      TYR  13  -1.015  -1.596   2.469
  101    HE1  TYR  13           1HE      TYR  13   1.869   1.147   5.446
  102    HE2  TYR  13           2HE      TYR  13  -1.882  -0.740   4.700
  103    HH   TYR  13           HH       TYR  13  -0.383  -0.008   7.051
  104    H    ASP  14           H        ASP  14   3.601  -1.778   3.918
  105    HA   ASP  14           HA       ASP  14   2.776  -4.513   4.492
  106    HB2  ASP  14           1HB      ASP  14   5.150  -2.892   5.175
  107    HB3  ASP  14           2HB      ASP  14   4.436  -3.643   6.588
  108    HD2  ASP  14           HD       ASP  14   4.316  -6.560   4.557
  109    HA   PRO  15           HA       PRO  15  -0.025  -2.178   7.071
  110    HB2  PRO  15           1HB      PRO  15  -1.859  -4.168   7.450
  111    HB3  PRO  15           2HB      PRO  15  -1.912  -3.062   6.092
  112    HG2  PRO  15           1HG      PRO  15  -1.071  -5.896   6.142
  113    HG3  PRO  15           2HG      PRO  15  -1.533  -4.912   4.768
  114    HD2  PRO  15           1HD      PRO  15   1.131  -5.656   5.528
  115    HD3  PRO  15           2HD      PRO  15   0.675  -4.578   4.223
  116    H    ALA  16           H        ALA  16   1.323  -5.309   7.748
  117    HA   ALA  16           HA       ALA  16   0.726  -5.139  10.534
  118    HB1  ALA  16           1HB      ALA  16   1.112  -7.218   9.003
  119    HB2  ALA  16           2HB      ALA  16   2.841  -6.901   9.285
  120    HB3  ALA  16           3HB      ALA  16   1.763  -7.242  10.660
  121    H    GLU  17           H        GLU  17   2.800  -3.406   8.538
  122    HA   GLU  17           HA       GLU  17   4.681  -3.069  10.744
  123    HB2  GLU  17           1HB      GLU  17   5.511  -4.024   8.456
  124    HB3  GLU  17           2HB      GLU  17   5.312  -2.391   7.853
  125    HG2  GLU  17           1HG      GLU  17   7.551  -2.363   8.563
  126    HG3  GLU  17           2HG      GLU  17   6.732  -1.680   9.953
  127    HE2  GLU  17           HE       GLU  17   7.450  -4.761   8.675
  128    H    GLY  18           H        GLY  18   3.215  -1.372   7.878
  129    HA2  GLY  18           1HA      GLY  18   1.866   0.604   8.459
  130    HA3  GLY  18           2HA      GLY  18   3.175   1.094   9.516
  131    H    ASP  19           H        ASP  19   3.852   2.996   8.520
  132    HA   ASP  19           HA       ASP  19   5.498   2.704   6.290
  133    HB2  ASP  19           1HB      ASP  19   2.916   2.871   5.462
  134    HB3  ASP  19           2HB      ASP  19   3.238   4.583   5.645
  135    HD2  ASP  19           HD       ASP  19   4.263   5.463   3.613
  136    HA   PRO  20           HA       PRO  20   6.476   6.306   8.728
  137    HB2  PRO  20           1HB      PRO  20   9.144   6.389   8.144
  138    HB3  PRO  20           2HB      PRO  20   8.481   5.443   9.461
  139    HG2  PRO  20           1HG      PRO  20   9.477   4.521   6.835
  140    HG3  PRO  20           2HG      PRO  20   9.215   3.592   8.298
  141    HD2  PRO  20           1HD      PRO  20   7.536   3.642   5.973
  142    HD3  PRO  20           2HD      PRO  20   7.216   2.805   7.479
  143    H    ASP  21           H        ASP  21   7.348   5.811   5.390
  144    HA   ASP  21           HA       ASP  21   8.223   8.122   4.572
  145    HB2  ASP  21           1HB      ASP  21   7.166   6.044   3.281
  146    HB3  ASP  21           2HB      ASP  21   5.750   7.072   3.172
  147    HD2  ASP  21           HD       ASP  21   8.378   6.215   1.540
  148    H    ASN  22           H        ASN  22   4.798   7.413   5.505
  149    HA   ASN  22           HA       ASN  22   4.263  10.269   5.305
  150    HB2  ASN  22           1HB      ASN  22   2.536   7.790   5.035
  151    HB3  ASN  22           2HB      ASN  22   1.779   9.275   5.576
  152   HD21  ASN  22          1HD2      ASN  22   4.130   8.166   3.137
  153   HD22  ASN  22          2HD2      ASN  22   3.519   9.090   1.806
  154    H    GLY  23           H        GLY  23   3.951   7.263   7.282
  155    HA2  GLY  23           1HA      GLY  23   4.493   7.574   9.660
  156    HA3  GLY  23           2HA      GLY  23   3.404   8.947   9.655
  157    H    VAL  24           H        VAL  24   3.640   5.390   9.449
  158    HA   VAL  24           HA       VAL  24   0.848   5.267  10.305
  159    HB   VAL  24           HB       VAL  24   2.120   3.724   8.041
  160   HG11  VAL  24          1HG1      VAL  24  -0.698   3.256   9.000
  161   HG12  VAL  24          2HG1      VAL  24   0.345   2.217   7.999
  162   HG13  VAL  24          3HG1      VAL  24   0.666   2.386   9.742
  163   HG21  VAL  24          3HG2      VAL  24   0.060   4.590   6.827
  164   HG22  VAL  24          1HG2      VAL  24  -0.199   5.665   8.222
  165   HG23  VAL  24          2HG2      VAL  24   1.288   5.806   7.254
  166    H    LYS  25           H        LYS  25   0.390   3.531  11.736
  167    HA   LYS  25           HA       LYS  25   2.785   2.476  12.988
  168    HB2  LYS  25           1HB      LYS  25  -0.102   2.761  13.791
  169    HB3  LYS  25           2HB      LYS  25   0.940   1.640  14.644
  170    HG2  LYS  25           1HG      LYS  25   2.196   3.318  15.610
  171    HG3  LYS  25           2HG      LYS  25   2.130   4.337  14.186
  172    HD2  LYS  25           1HD      LYS  25  -0.530   4.327  15.009
  173    HD3  LYS  25           2HD      LYS  25   0.322   4.264  16.539
  174    HE2  LYS  25           1HE      LYS  25   1.238   6.242  14.437
  175    HE3  LYS  25           2HE      LYS  25  -0.198   6.606  15.373
  176    HZ1  LYS  25           2HZ      LYS  25   1.125   7.188  17.073
  177    HZ3  LYS  25           1HZ      LYS  25   2.460   6.869  16.196
  178    HA   PRO  26           HA       PRO  26   2.277  -1.532  11.474
  179    HB2  PRO  26           1HB      PRO  26   3.067  -3.120  13.554
  180    HB3  PRO  26           2HB      PRO  26   4.194  -2.281  12.506
  181    HG2  PRO  26           1HG      PRO  26   3.407  -1.632  15.281
  182    HG3  PRO  26           2HG      PRO  26   4.809  -1.087  14.381
  183    HD2  PRO  26           1HD      PRO  26   2.432   0.421  14.935
  184    HD3  PRO  26           2HD      PRO  26   3.783   0.923  13.938
  185    H    GLY  27           H        GLY  27   0.925  -3.305  11.152
  186    HA2  GLY  27           1HA      GLY  27  -0.784  -4.720  11.798
  187    HA3  GLY  27           2HA      GLY  27  -1.074  -3.753  13.231
  188    H    THR  28           H        THR  28  -0.855  -1.250  11.307
  189    HA   THR  28           HA       THR  28  -3.630  -0.906  10.999
  190    HB   THR  28           HB       THR  28  -1.235   0.573   9.786
  191    HG1  THR  28           1HG      THR  28  -1.843   1.908  11.767
  192   HG21  THR  28          3HG2      THR  28  -3.135   1.503   8.682
  193   HG22  THR  28          1HG2      THR  28  -4.193   1.227  10.087
  194   HG23  THR  28          2HG2      THR  28  -2.973   2.523  10.131
  195    H    SER  29           H        SER  29  -4.778  -0.416   8.939
  196    HA   SER  29           HA       SER  29  -3.864  -2.318   6.925
  197    HB2  SER  29           1HB      SER  29  -6.139  -2.839   6.425
  198    HB3  SER  29           2HB      SER  29  -6.038  -2.830   8.174
  199    HG   SER  29           HG       SER  29  -7.375  -1.046   6.427
  200    H    PHE  30           H        PHE  30  -3.944  -1.671   4.701
  201    HA   PHE  30           HA       PHE  30  -3.425   0.987   4.188
  202    HB2  PHE  30           1HB      PHE  30  -2.912  -1.094   2.787
  203    HB3  PHE  30           2HB      PHE  30  -4.614  -1.208   2.384
  204    HD1  PHE  30           1HD      PHE  30  -5.659   0.830   1.173
  205    HD2  PHE  30           2HD      PHE  30  -1.479   0.147   1.434
  206    HE1  PHE  30           1HE      PHE  30  -5.291   2.327  -0.807
  207    HE2  PHE  30           2HE      PHE  30  -1.111   1.645  -0.546
  208    HZ   PHE  30           HZ       PHE  30  -3.021   2.717  -1.643
  209    H    ASP  31           H        ASP  31  -6.480  -0.632   4.685
  210    HA   ASP  31           HA       ASP  31  -7.998   1.153   3.109
  211    HB2  ASP  31           1HB      ASP  31  -8.573  -1.254   3.994
  212    HB3  ASP  31           2HB      ASP  31  -9.041  -0.444   5.476
  213    HD2  ASP  31           HD       ASP  31 -10.893   0.474   5.535
  214    H    ASP  32           H        ASP  32  -6.519   1.161   6.282
  215    HA   ASP  32           HA       ASP  32  -8.321   3.219   7.224
  216    HB2  ASP  32           1HB      ASP  32  -6.649   1.173   8.445
  217    HB3  ASP  32           2HB      ASP  32  -6.198   2.740   9.086
  218    HD2  ASP  32           HD       ASP  32  -8.125   0.256   9.509
  219    H    LEU  33           H        LEU  33  -6.040   3.317   5.043
  220    HA   LEU  33           HA       LEU  33  -4.059   5.012   6.223
  221    HB2  LEU  33           1HB      LEU  33  -4.644   3.915   3.506
  222    HB3  LEU  33           2HB      LEU  33  -3.573   5.295   3.649
  223    HG   LEU  33           HG       LEU  33  -3.154   2.691   5.138
  224   HD11  LEU  33          1HD1      LEU  33  -1.517   2.083   3.468
  225   HD12  LEU  33          2HD1      LEU  33  -3.097   2.342   2.690
  226   HD13  LEU  33          3HD1      LEU  33  -1.828   3.584   2.564
  227   HD21  LEU  33          3HD2      LEU  33  -0.827   3.557   5.370
  228   HD22  LEU  33          1HD2      LEU  33  -1.381   5.104   4.685
  229   HD23  LEU  33          2HD2      LEU  33  -2.053   4.522   6.228
  230    HA   PRO  34           HA       PRO  34  -5.930   8.830   5.492
  231    HB2  PRO  34           1HB      PRO  34  -3.845  10.462   4.815
  232    HB3  PRO  34           2HB      PRO  34  -4.196   9.990   6.466
  233    HG2  PRO  34           1HG      PRO  34  -2.047   9.026   4.679
  234    HG3  PRO  34           2HG      PRO  34  -2.164   8.900   6.423
  235    HD2  PRO  34           1HD      PRO  34  -2.646   6.813   4.515
  236    HD3  PRO  34           2HD      PRO  34  -2.874   6.720   6.250
  237    H    ALA  35           H        ALA  35  -6.300  10.751   3.973
  238    HA   ALA  35           HA       ALA  35  -6.639   9.521   1.364
  239    HB1  ALA  35           1HB      ALA  35  -8.086  11.500   0.961
  240    HB2  ALA  35           2HB      ALA  35  -8.556  10.618   2.434
  241    HB3  ALA  35           3HB      ALA  35  -7.638  12.137   2.562
  242    H    ASP  36           H        ASP  36  -4.047  10.761   2.778
  243    HA   ASP  36           HA       ASP  36  -3.367  12.380   0.449
  244    HB2  ASP  36           1HB      ASP  36  -3.260  13.051   3.208
  245    HB3  ASP  36           2HB      ASP  36  -1.595  12.746   2.756
  246    HD2  ASP  36           HD       ASP  36  -2.347  15.103   3.521
  247    H    TRP  37           H        TRP  37  -3.099   9.367   1.695
  248    HA   TRP  37           HA       TRP  37  -0.234   9.042   1.594
  249    HB2  TRP  37           1HB      TRP  37  -1.731   7.837   3.199
  250    HB3  TRP  37           2HB      TRP  37  -2.398   6.948   1.844
  251    HD1  TRP  37           HD       TRP  37   0.615   6.987   4.147
  252    HE1  TRP  37           1HE      TRP  37   2.263   4.983   3.665
  253    HE3  TRP  37           3HE      TRP  37  -1.577   5.544  -0.209
  254    HZ2  TRP  37           2HZ      TRP  37   2.460   3.063   1.563
  255    HZ3  TRP  37           3HZ      TRP  37  -0.594   3.595  -1.413
  256    HH2  TRP  37           HH       TRP  37   1.354   2.368  -0.594
  257    H    VAL  38           H        VAL  38   0.899   7.937  -0.080
  258    HA   VAL  38           HA       VAL  38  -0.567   6.905  -2.320
  259    HB   VAL  38           HB       VAL  38   0.640   8.452  -3.915
  260   HG11  VAL  38          1HG1      VAL  38  -1.211   9.791  -4.073
  261   HG12  VAL  38          2HG1      VAL  38  -1.848   8.554  -2.964
  262   HG13  VAL  38          3HG1      VAL  38  -1.271  10.111  -2.323
  263   HG21  VAL  38          3HG2      VAL  38   0.748  10.489  -1.723
  264   HG22  VAL  38          1HG2      VAL  38   2.083   9.320  -1.863
  265   HG23  VAL  38          2HG2      VAL  38   1.682  10.382  -3.235
  266    H    CYS  39           H        CYS  39   0.709   5.479  -3.556
  267    HA   CYS  39           HA       CYS  39   2.653   4.109  -2.373
  268    HB2  CYS  39           1HB      CYS  39   1.751   3.266  -4.366
  269    HB3  CYS  39           2HB      CYS  39   2.201   4.686  -5.290
  270    HA   PRO  40           HA       PRO  40   5.752   7.299  -2.234
  271    HB2  PRO  40           1HB      PRO  40   7.167   6.272  -0.134
  272    HB3  PRO  40           2HB      PRO  40   5.817   7.371   0.066
  273    HG2  PRO  40           1HG      PRO  40   5.917   4.454   0.533
  274    HG3  PRO  40           2HG      PRO  40   4.745   5.619   1.116
  275    HD2  PRO  40           1HD      PRO  40   4.390   3.759  -1.039
  276    HD3  PRO  40           2HD      PRO  40   3.264   5.002  -0.530
  277    H    VAL  41           H        VAL  41   5.839   5.588  -4.325
  278    HA   VAL  41           HA       VAL  41   8.704   5.026  -4.329
  279    HB   VAL  41           HB       VAL  41   6.578   3.088  -5.261
  280   HG11  VAL  41          1HG1      VAL  41   8.618   1.547  -5.412
  281   HG12  VAL  41          2HG1      VAL  41   8.457   2.803  -6.664
  282   HG13  VAL  41          3HG1      VAL  41   9.602   3.027  -5.319
  283   HG21  VAL  41          3HG2      VAL  41   6.457   2.446  -3.121
  284   HG22  VAL  41          1HG2      VAL  41   8.127   1.854  -3.297
  285   HG23  VAL  41          2HG2      VAL  41   7.824   3.486  -2.655
  286    H    CYS  42           H        CYS  42   5.608   5.185  -6.207
  287    HA   CYS  42           HA       CYS  42   7.193   6.328  -8.392
  288    HB2  CYS  42           1HB      CYS  42   5.699   5.435  -9.958
  289    HB3  CYS  42           2HB      CYS  42   6.048   4.134  -8.837
  290    H    GLY  43           H        GLY  43   4.367   6.545  -6.217
  291    HA2  GLY  43           1HA      GLY  43   3.843   8.852  -5.549
  292    HA3  GLY  43           2HA      GLY  43   3.851   9.271  -7.250
  293    H    ALA  44           H        ALA  44   2.592   6.643  -8.064
  294    HA   ALA  44           HA       ALA  44   0.095   7.223  -8.512
  295    HB1  ALA  44           1HB      ALA  44   1.385   4.649  -7.640
  296    HB2  ALA  44           2HB      ALA  44  -0.377   4.686  -7.891
  297    HB3  ALA  44           3HB      ALA  44   0.722   5.107  -9.227
  298    HA   PRO  45           HA       PRO  45  -1.983   7.932  -4.779
  299    HB2  PRO  45           1HB      PRO  45  -4.576   7.808  -5.635
  300    HB3  PRO  45           2HB      PRO  45  -3.569   9.228  -5.832
  301    HG2  PRO  45           1HG      PRO  45  -4.391   7.242  -7.862
  302    HG3  PRO  45           2HG      PRO  45  -3.761   8.860  -8.101
  303    HD2  PRO  45           1HD      PRO  45  -2.331   6.395  -8.430
  304    HD3  PRO  45           2HD      PRO  45  -1.673   8.014  -8.556
  305    H    LYS  46           H        LYS  46  -3.349   7.055  -3.080
  306    HA   LYS  46           HA       LYS  46  -2.847   4.335  -2.789
  307    HB2  LYS  46           1HB      LYS  46  -3.976   4.513  -0.747
  308    HB3  LYS  46           2HB      LYS  46  -3.299   6.108  -1.008
  309    HG2  LYS  46           1HG      LYS  46  -5.422   6.855  -0.608
  310    HG3  LYS  46           2HG      LYS  46  -5.736   6.385  -2.266
  311    HD2  LYS  46           1HD      LYS  46  -7.456   5.272  -1.105
  312    HD3  LYS  46           2HD      LYS  46  -6.254   4.009  -1.278
  313    HE2  LYS  46           1HE      LYS  46  -6.884   3.889   1.013
  314    HE3  LYS  46           2HE      LYS  46  -5.357   4.748   1.042
  315    HZ1  LYS  46           2HZ      LYS  46  -8.040   5.796   1.540
  316    HZ3  LYS  46           1HZ      LYS  46  -6.988   6.812   0.825
  317    H    SER  47           H        SER  47  -5.312   6.059  -4.564
  318    HA   SER  47           HA       SER  47  -7.257   4.041  -4.453
  319    HB2  SER  47           1HB      SER  47  -7.255   6.626  -5.279
  320    HB3  SER  47           2HB      SER  47  -7.093   5.850  -6.842
  321    HG   SER  47           HG       SER  47  -9.219   5.575  -4.916
  322    H    GLU  48           H        GLU  48  -4.167   4.120  -5.842
  323    HA   GLU  48           HA       GLU  48  -4.988   2.335  -7.992
  324    HB2  GLU  48           1HB      GLU  48  -2.412   3.919  -7.598
  325    HB3  GLU  48           2HB      GLU  48  -2.674   2.788  -8.911
  326    HG2  GLU  48           1HG      GLU  48  -4.879   4.223  -9.327
  327    HG3  GLU  48           2HG      GLU  48  -4.031   5.447  -8.403
  328    HE2  GLU  48           HE       GLU  48  -3.807   6.539 -10.968
  329    H    PHE  49           H        PHE  49  -4.968   1.453  -5.233
  330    HA   PHE  49           HA       PHE  49  -2.704  -0.413  -5.359
  331    HB2  PHE  49           1HB      PHE  49  -3.673   1.485  -3.322
  332    HB3  PHE  49           2HB      PHE  49  -3.752  -0.147  -2.687
  333    HD1  PHE  49           2HD      PHE  49  -1.567  -1.584  -3.036
  334    HD2  PHE  49           1HD      PHE  49  -1.689   2.657  -3.129
  335    HE1  PHE  49           2HE      PHE  49   0.887  -1.502  -2.519
  336    HE2  PHE  49           1HE      PHE  49   0.766   2.739  -2.612
  337    HZ   PHE  49           HZ       PHE  49   2.025   0.658  -2.313
  338    H    GLU  50           H        GLU  50  -3.156  -2.595  -5.025
  339    HA   GLU  50           HA       GLU  50  -5.876  -3.222  -4.237
  340    HB2  GLU  50           1HB      GLU  50  -6.134  -3.395  -6.579
  341    HB3  GLU  50           2HB      GLU  50  -4.514  -4.021  -6.817
  342    HG2  GLU  50           1HG      GLU  50  -5.097  -6.196  -6.163
  343    HG3  GLU  50           2HG      GLU  50  -6.406  -5.654  -5.131
  344    HE2  GLU  50           HE       GLU  50  -8.596  -6.600  -7.219
  345    H    ALA  51           H        ALA  51  -6.100  -5.281  -3.178
  346    HA   ALA  51           HA       ALA  51  -3.687  -6.151  -1.923
  347    HB1  ALA  51           1HB      ALA  51  -5.329  -7.794  -0.849
  348    HB2  ALA  51           2HB      ALA  51  -5.672  -6.066  -0.595
  349    HB3  ALA  51           3HB      ALA  51  -6.603  -6.991  -1.797
  350    H    ALA  52           H        ALA  52  -2.239  -7.385  -3.021
  351    HA   ALA  52           HA       ALA  52  -2.854  -9.950  -3.849
  352    HB1  ALA  52           1HB      ALA  52  -4.061  -9.308  -5.727
  353    HB2  ALA  52           2HB      ALA  52  -3.107  -7.823  -5.964
  354    HB3  ALA  52           3HB      ALA  52  -2.417  -9.404  -6.404