*HEADER    PHEROMONE                               09-NOV-00   1HD6
*TITLE     PHEROMONE ER-22, NMR
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PHEROMONE ER-22;
*COMPND   3 CHAIN: A
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: EUPLOTES RAIKOVI
*KEYWDS    PHEROMONE
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    P.LUGINBUHL,A.LIU,O.ZERBE,C.ORTENZI,P.LUPORINI,K.WUTHRICH
*REVDAT   1   10-NOV-00 1HD6    0




  1 ASP- 
         HA      1 ASP- HB2     2.80
         HA      1 ASP- HB3     2.80
         HA      2 ILE  HN      2.90
         HB2     2 ILE  HN      2.70
         HB3     2 ILE  HN      3.90
  2 ILE  
         HN      2 ILE  HB      2.70
         HN      2 ILE  QG2     3.80
         HN      2 ILE  HG12    4.80
         HN      2 ILE  HG13    4.80
         HN      2 ILE  QG1     4.52
         HN      2 ILE  QD1     6.00
         HN      3 CYSS HN      3.20
         HA      2 ILE  HB      2.40
         HA      2 ILE  HG12    4.10
         HA      2 ILE  HG13    4.10
         HA      2 ILE  QG1     3.81
         HA      2 ILE  QD1     3.40
         HA      3 CYSS HN      3.60
         HA      4 ASP- HN      4.10
         HA      5 ILE  HN      3.10
         HA      5 ILE  HB      3.20
         HA      5 ILE  QG2     4.20
         HA      5 ILE  HG12    3.70
         HA      5 ILE  HG13    3.70
         HA      5 ILE  QD1     3.40
         HA      6 ALA  HN      4.30
         HB      2 ILE  QD1     3.60
         HB      3 CYSS HN      4.00
         QG2     2 ILE  HG12    3.70
         QG2     2 ILE  HG13    3.70
         QG2     3 CYSS HN      3.70
         QG2    17 ASP- HB2     3.90
         QG2    17 ASP- HB3     3.90
         QG2    17 ASP- QB      3.55
         QG2    18 CYSS HN      5.50
         QG2    18 CYSS HA      3.50
         QG2    19 GLU- HN      6.00
         HG12   17 ASP- HB2     5.95
         HG12   17 ASP- HB3     5.95
         HG13   17 ASP- HB2     5.95
         HG13   17 ASP- HB3     5.95
         QG1    17 ASP- QB      4.85
         QG1    18 CYSS HA      4.78
         QD1    17 ASP- HB2     4.40
         QD1    17 ASP- HB3     4.40
         QD1    17 ASP- QB      4.16
  3 CYSS 
         HN      3 CYSS HB2     3.40
         HN      3 CYSS HB3     3.40
         HN      3 CYSS QB      2.99
         HN      4 ASP- HN      2.90
         HA      5 ILE  HN      4.80
         HA      6 ALA  HN      3.50
         HA      6 ALA  QB      3.50
         HA      7 ILE  HN      4.90
         HA     18 CYSS HB2     2.80
         HA     18 CYSS HB3     3.80
         HB2     4 ASP- HN      3.90
         HB3     4 ASP- HN      3.90
         QB      4 ASP- HN      3.37
  4 ASP- 
         HN      4 ASP- HB2     3.10
         HN      4 ASP- HB3     3.00
         HN      5 ILE  HN      3.10
         HA      4 ASP- HB2     2.80
         HA      6 ALA  HN      4.90
         HA      7 ILE  HN      3.70
         HA      7 ILE  HB      2.90
         HA      8 ALA  HN      4.20
         HB2     5 ILE  HN      3.90
         HB3     5 ILE  HN      3.10
  5 ILE  
         HN      5 ILE  HB      2.60
         HN      5 ILE  HG12    3.50
         HN      5 ILE  HG13    3.50
         HN      5 ILE  QG1     3.00
         HN      5 ILE  QD1     5.30
         HN      6 ALA  HN      3.00
         HA      5 ILE  HB      3.00
         HA      5 ILE  QG2     3.40
         HA      5 ILE  HG12    3.00
         HA      5 ILE  HG13    3.00
         HA      5 ILE  QG1     2.77
         HA      5 ILE  QD1     4.40
         HA      8 ALA  HN      3.40
         HA      8 ALA  QB      3.40
         HA      9 GLN  HN      4.10
         HB      5 ILE  QG1     2.69
         HB      5 ILE  QD1     3.40
         HB      6 ALA  HN      2.70
         QG2     5 ILE  HG12    3.80
         QG2     5 ILE  HG13    3.80
         QG2     6 ALA  HN      4.10
         QG2     9 GLN  HN      5.50
         QG2     9 GLN  QB      6.48
         QG2     9 GLN  HG2     4.90
         QG2     9 GLN  HG3     4.90
         QG2     9 GLN  QG      4.34
         QG2     9 GLN  HE21    5.10
         QG2     9 GLN  HE22    5.10
         QG2     9 GLN  QE2     4.78
         HG12    6 ALA  HN      5.00
         HG13    6 ALA  HN      5.00
  6 ALA  
         HN      6 ALA  QB      3.40
         HN      7 ILE  HN      3.30
         HA      8 ALA  HN      5.00
         HA      9 GLN  HN      3.60
         HA      9 GLN  HB2     3.70
         HA      9 GLN  HB3     3.70
         HA      9 GLN  QB      3.16
         HA     10 CYSS HN      4.40
         QB      7 ILE  HN      3.40
         QB     11 SER  HN      5.30
         QB     14 LEU  HN      5.10
         QB     15 CYSS HN      3.90
  7 ILE  
         HN      7 ILE  HB      2.80
         HN      7 ILE  HG12    4.10
         HN      7 ILE  HG13    4.10
         HN      7 ILE  QG1     3.40
         HN      7 ILE  QD1     5.10
         HN      8 ALA  HN      3.20
         HA      7 ILE  QG2     3.40
         HA      7 ILE  HG12    3.00
         HA      7 ILE  HG13    3.00
         HA      7 ILE  QG1     2.57
         HA      7 ILE  QD1     4.40
         HA      9 GLN  HN      4.20
         HA     28 VAL  QQG     7.46
         HB      8 ALA  HN      3.00
         QG2     8 ALA  HN      4.80
         QG2    28 VAL  HA      4.30
         QG1     8 ALA  HN      5.88
         QD1     8 ALA  HN      6.00
         QD1    28 VAL  HA      5.80
  8 ALA  
         HN      8 ALA  QB      3.40
         HN      9 GLN  HN      3.20
         HA     10 CYSS HN      4.10
         QB      9 GLN  HN      3.40
         QB      9 GLN  HG2     6.00
         QB      9 GLN  HG3     6.00
         QB      9 GLN  QE2     6.87
         QB     10 CYSS HN      5.60
  9 GLN  
         HN      9 GLN  HB2     3.80
         HN      9 GLN  HB3     3.80
         HN      9 GLN  QB      3.22
         HN      9 GLN  HG2     4.20
         HN      9 GLN  HG3     4.20
         HN      9 GLN  QG      4.01
         HN     10 CYSS HN      3.30
         HA      9 GLN  QG      3.68
         HA     10 CYSS HN      3.60
 10 CYSS 
         HN     10 CYSS HA      2.70
         HN     10 CYSS HB3     3.50
         HN     11 SER  HN      3.20
         HN     28 VAL  QG1     6.00
         HN     28 VAL  QG2     6.00
         HN     28 VAL  QQG     5.59
         HA     10 CYSS HB2     3.00
         HA     10 CYSS HB3     2.80
         HA     11 SER  HN      3.30
         HA     28 VAL  QG1     3.80
         HA     28 VAL  QG2     3.80
         HA     28 VAL  QQG     3.30
         HB2    11 SER  HN      5.00
         HB2    28 VAL  QQG     7.56
         HB3    11 SER  HN      5.00
         HB3    28 VAL  QQG     7.56
 11 SER  
         HN     11 SER  HB2     3.20
         HN     11 SER  HB3     2.80
         HN     12 LEU  HN      4.20
         HN     28 VAL  QG1     4.70
         HN     28 VAL  QG2     4.70
         HN     28 VAL  QQG     4.23
         HN     36 TRP  HD1     5.00
         HA     11 SER  HB2     2.80
         HA     12 LEU  HN      2.70
         HA     13 THR  HN      4.10
         HB2    14 LEU  HN      5.00
         HB2    28 VAL  QQG     7.56
         HB3    12 LEU  HN      5.00
         HB3    14 LEU  HN      3.40
         HB3    28 VAL  QQG     6.06
 12 LEU  
         HN     12 LEU  HB2     3.60
         HN     12 LEU  HB3     3.60
         HN     12 LEU  QB      3.10
         HN     12 LEU  HG      3.30
         HN     12 LEU  QD1     6.00
         HN     12 LEU  QD2     6.00
         HN     12 LEU  QQD     5.64
         HN     13 THR  HN      3.20
         HN     28 VAL  QG1     6.00
         HN     28 VAL  QG2     6.00
         HN     28 VAL  QQG     5.30
         HA     12 LEU  HB2     3.00
         HA     12 LEU  HB3     3.00
         HA     12 LEU  HG      3.50
         HA     12 LEU  QD1     4.40
         HA     12 LEU  QD2     4.40
         HA     12 LEU  QQD     3.61
         HA     15 CYSS HN      3.30
         HA     28 VAL  QQG     6.66
         HB2    13 THR  HN      3.90
         HB3    13 THR  HN      3.90
         QB     13 THR  HN      3.50
         QB     28 VAL  QQG     8.14
         HG     13 THR  HN      5.00
         HG     36 TRP  QB      4.70
         HG     36 TRP  HE3     5.00
         QD1    29 LYS+ HN      6.00
         QD1    29 LYS+ HG2     7.45
         QD1    29 LYS+ HG3     7.45
         QD1    36 TRP  QB      7.00
         QD1    36 TRP  HE3     6.00
         QD2    29 LYS+ HN      6.00
         QD2    29 LYS+ HG2     7.45
         QD2    29 LYS+ HG3     7.45
         QD2    36 TRP  QB      7.00
         QD2    36 TRP  HE3     6.00
         QQD    13 THR  HN      7.57
         QQD    25 GLU- HN      7.57
         QQD    25 GLU- HA      4.97
         QQD    28 VAL  HN      7.57
         QQD    29 LYS+ HN      5.39
         QQD    29 LYS+ QG      6.18
         QQD    29 LYS+ HZ3     7.57
         QQD    36 TRP  QB      6.19
         QQD    36 TRP  HD1     7.57
         QQD    36 TRP  HE3     4.69
 13 THR  
         HN     13 THR  HB      3.20
         HN     14 LEU  HN      3.40
         HA     13 THR  HB      3.00
         HA     13 THR  QG2     3.60
         HA     15 CYSS HN      3.90
         HA     16 GLN  HN      3.70
         HB     14 LEU  HN      3.40
         QG2    14 LEU  HN      6.00
         QG2    16 GLN  QE2     6.87
 14 LEU  
         HN     14 LEU  HB2     3.50
         HN     14 LEU  HB3     3.50
         HN     14 LEU  QB      3.05
         HN     14 LEU  HG      4.10
         HN     14 LEU  QD1     6.00
         HN     14 LEU  QD2     6.00
         HN     15 CYSS HN      3.30
         HA     14 LEU  HG      3.70
         HA     14 LEU  QD1     4.40
         HA     14 LEU  QD2     4.40
         HA     14 LEU  QQD     3.61
         HA     16 GLN  HN      3.70
         HA     17 ASP- HN      3.70
         HB2    14 LEU  QD1     3.60
         HB2    14 LEU  QD2     3.60
         HB2    15 CYSS HN      4.30
         HB3    14 LEU  QD1     3.60
         HB3    14 LEU  QD2     3.60
         HB3    15 CYSS HN      4.30
         QB     15 CYSS HN      4.01
 15 CYSS 
         HN     15 CYSS HB2     4.10
         HN     15 CYSS HB3     4.10
         HN     15 CYSS QB      3.44
         HN     16 GLN  HN      3.20
         HA     17 ASP- HN      4.00
         HA     18 CYSS HN      3.30
         HB2    21 THR  QG2     4.80
         HB3    21 THR  QG2     4.80
         QB     16 GLN  HN      4.68
         QB     21 THR  HA      4.38
         QB     21 THR  QG2     4.33
         QB     25 GLU- HN      5.88
         QB     28 VAL  QQG     8.14
 16 GLN  
         HN     16 GLN  HB2     3.70
         HN     16 GLN  HB3     3.70
         HN     16 GLN  QB      3.21
         HN     16 GLN  HG2     3.90
         HN     16 GLN  HG3     3.90
         HN     16 GLN  QG      3.37
         HN     17 ASP- HN      3.10
         HN     21 THR  QG2     6.00
         HA     16 GLN  QE2     5.87
         HA     18 CYSS HN      4.20
         HA     21 THR  QG2     3.50
         HB2    17 ASP- HN      4.70
         HB3    17 ASP- HN      4.70
         QB     17 ASP- HN      4.18
         HE21   21 THR  QG2     6.00
         HE22   21 THR  QG2     6.00
         QE2    21 THR  QG2     5.41
 17 ASP- 
         HN     17 ASP- HB2     3.80
         HN     17 ASP- HB3     3.80
         HN     17 ASP- QB      3.22
         HN     18 CYSS HN      2.80
         HB2    18 CYSS HN      4.20
         HB3    18 CYSS HN      4.20
 18 CYSS 
         HN     18 CYSS HB2     3.10
         HN     18 CYSS HB3     2.70
         HA     18 CYSS HB2     2.70
         HA     19 GLU- HN      2.60
         HA     20 ASN  HN      4.50
         HB2    19 GLU- HN      4.40
         HB3    19 GLU- HN      5.00
 19 GLU- 
         HN     19 GLU- HB2     3.10
         HN     19 GLU- HB3     2.80
         HN     19 GLU- QG      5.40
         HN     20 ASN  HN      3.40
         HA     19 GLU- HB2     2.80
         HA     19 GLU- HB3     2.90
         HB2    20 ASN  HN      4.40
         HB3    20 ASN  HN      3.90
         QG     20 ASN  HN      5.90
 20 ASN  
         HN     20 ASN  HB2     3.50
         HN     20 ASN  HB3     3.50
         HN     20 ASN  QB      3.29
         HN     21 THR  HN      4.40
         HA     21 THR  HN      2.80
         QB     23 ILE  HN      4.88
         QB     23 ILE  HB      4.28
         QB     23 ILE  QG2     6.08
         QB     23 ILE  QD1     6.68
         HD21   23 ILE  QG2     6.00
         HD21   23 ILE  HG12    6.73
         HD21   23 ILE  HG13    6.73
         HD21   23 ILE  QD1     6.00
         HD22   23 ILE  QG2     6.00
         HD22   23 ILE  HG12    6.73
         HD22   23 ILE  HG13    6.73
         HD22   23 ILE  QD1     6.00
         QD2    23 ILE  HB      5.87
         QD2    23 ILE  QG1     5.25
 21 THR  
         HN     21 THR  HB      3.20
         HN     22 PRO  HD2     4.00
         HN     22 PRO  HD3     4.00
         HN     22 PRO  QD      3.61
         HA     21 THR  HB      2.90
         HA     21 THR  QG2     3.50
         HA     24 CYSS HN      4.60
         QG2    22 PRO  HA      5.70
         QG2    25 GLU- HN      6.00
         QG2    25 GLU- QB      6.88
         QG2    25 GLU- QG      4.78
 22 PRO  
         HA     24 CYSS HN      4.20
         HA     25 GLU- HN      3.00
         HA     25 GLU- HB2     3.40
         HA     25 GLU- HB3     3.40
         HA     25 GLU- QB      3.13
         QB     23 ILE  HN      4.17
         QG     23 ILE  HN      5.37
         HD2    23 ILE  HN      5.00
         HD3    23 ILE  HN      5.00
         QD     23 ILE  HN      4.27
         QD     24 CYSS HN      5.88
 23 ILE  
         HN     23 ILE  HB      2.60
         HN     23 ILE  HG12    3.90
         HN     23 ILE  HG13    3.90
         HN     23 ILE  QG1     3.55
         HN     23 ILE  QD1     6.00
         HN     24 CYSS HN      2.90
         HN     25 GLU- HN      5.00
         HA     23 ILE  HB      2.90
         HA     23 ILE  QG2     3.40
         HA     23 ILE  HG12    3.50
         HA     23 ILE  HG13    3.50
         HA     23 ILE  QG1     3.09
         HA     23 ILE  QD1     3.80
         HA     25 GLU- HN      4.70
         HA     26 LEU  HN      3.70
         HA     26 LEU  HB2     3.20
         HA     26 LEU  HB3     3.20
         HB     23 ILE  QG1     2.64
         HB     24 CYSS HN      3.20
         QG2    24 CYSS HN      4.60
         QG1    24 CYSS HN      5.88
         QD1    24 CYSS HN      6.00
 24 CYSS 
         HN     24 CYSS HB2     2.90
         HN     24 CYSS HB3     2.70
         HN     25 GLU- HN      3.30
         HA     24 CYSS HB2     2.80
         HA     27 ALA  HN      3.80
         HA     27 ALA  QB      3.80
         HA     28 VAL  HN      5.00
         HB2    25 GLU- HN      4.00
 25 GLU- 
         HN     25 GLU- HA      2.80
         HN     25 GLU- HB2     3.80
         HN     25 GLU- HB3     3.80
         HN     25 GLU- QB      3.26
         HN     25 GLU- HG2     4.30
         HN     25 GLU- HG3     4.30
         HN     25 GLU- QG      3.56
         HN     26 LEU  HN      3.30
         HA     25 GLU- QG      3.59
         HA     27 ALA  HN      5.00
         HA     28 VAL  HN      3.80
         HA     28 VAL  HB      3.00
         HB2    26 LEU  HN      4.10
         HB3    26 LEU  HN      4.10
         QB     26 LEU  HN      3.66
 26 LEU  
         HN     26 LEU  HB2     3.40
         HN     26 LEU  HB3     3.40
         HN     26 LEU  QB      2.94
         HN     26 LEU  HG      4.40
         HN     26 LEU  QD1     6.00
         HN     26 LEU  QD2     6.00
         HN     27 ALA  HN      3.30
         HA     26 LEU  HG      3.40
         HA     26 LEU  QD1     4.20
         HA     26 LEU  QD2     4.20
         HA     26 LEU  QQD     3.74
         HA     28 VAL  HN      4.90
         HA     29 LYS+ HN      3.50
         HA     29 LYS+ QB      3.98
         HB2    27 ALA  HN      4.40
         HB3    27 ALA  HN      4.40
         QB     27 ALA  HN      3.79
         QD1    27 ALA  HN      6.00
         QD2    27 ALA  HN      6.00
 27 ALA  
         HN     27 ALA  QB      3.40
         HN     28 VAL  HN      3.30
         HA     28 VAL  HN      3.60
         HA     30 GLY  HN      3.50
         QB     28 VAL  HN      3.40
         QB     30 GLY  HN      6.00
 28 VAL  
         HN     28 VAL  HB      2.70
         HN     28 VAL  QQG     3.92
         HN     29 LYS+ HN      3.30
         HA     28 VAL  HB      2.90
         HA     28 VAL  QG1     3.40
         HA     28 VAL  QG2     3.40
         HA     31 SER  HN      3.30
         HA     32 CYSS HN      4.10
         HB     29 LYS+ HN      2.80
         QG1    29 LYS+ HN      4.90
         QG1    36 TRP  HD1     6.00
         QG2    29 LYS+ HN      4.90
         QG2    36 TRP  HD1     6.00
         QQG    29 LYS+ HN      4.54
         QQG    29 LYS+ HA      5.56
         QQG    32 CYSS HN      7.46
         QQG    36 TRP  QB      8.26
         QQG    36 TRP  NE1     7.26
         QQG    36 TRP  HD1     4.70
         QQG    36 TRP  HE3     7.56
 29 LYS+ 
         HN     29 LYS+ HB2     3.40
         HN     29 LYS+ HB3     3.40
         HN     29 LYS+ QB      3.08
         HN     29 LYS+ QG      3.78
         HN     29 LYS+ QD      6.00
         HN     30 GLY  HN      3.20
         HA     29 LYS+ HG2     4.10
         HA     29 LYS+ HG3     4.10
         HA     29 LYS+ QG      3.57
         HA     29 LYS+ QD      6.00
         HA     32 CYSS HN      4.50
         HA     36 TRP  NE1     3.70
         HA     36 TRP  HD1     5.00
         HB2    29 LYS+ HZ1     5.00
         HB2    30 GLY  HN      4.30
         HB3    29 LYS+ HZ1     5.00
         HB3    30 GLY  HN      4.30
         QB     29 LYS+ HZ2     5.88
         QB     30 GLY  HN      3.87
         QG     29 LYS+ HZ1     5.88
         QG     29 LYS+ HZ2     5.88
         QG     29 LYS+ HZ3     5.88
         QG     36 TRP  NE1     5.88
         QG     36 TRP  HE3     5.88
         HZ1    34 PRO  QB      5.18
         HZ2    34 PRO  QB      5.88
         HZ3    34 PRO  QB      5.88
 30 GLY  
         HN     31 SER  HN      2.90
 31 SER  
         HN     32 CYSS HN      2.80
 32 CYSS 
         HN     32 CYSS QB      3.46
         HN     36 TRP  NE1     5.00
         HA     33 PRO  HD2     2.60
         HA     33 PRO  HD3     2.60
         HB2    36 TRP  NE1     4.50
         HB2    36 TRP  HD1     3.40
         HB3    36 TRP  NE1     4.50
         HB3    36 TRP  HD1     3.40
         QB     36 TRP  NE1     3.80
         QB     36 TRP  HD1     3.18
 33 PRO  
         HA     34 PRO  HD2     2.70
         HA     34 PRO  HD3     2.70
         QB     34 PRO  QD      4.50
 34 PRO  
         HA     35 PRO  HA      3.10
         HA     36 TRP  HN      3.70
         HA     36 TRP  NE1     5.00
         HA     36 TRP  HD1     5.00
         HB2    35 PRO  HA      3.40
         HB3    35 PRO  HA      3.40
         QB     35 PRO  HA      3.04
         QB     36 TRP  HN      5.38
         QB     36 TRP  NE1     5.88
         QB     36 TRP  HE3     5.88
         QD     36 TRP  NE1     5.88
 35 PRO  
         HA     36 TRP  HN      2.70
         HB2    36 TRP  HN      4.20
         HB3    36 TRP  HN      4.20
         QB     36 TRP  HN      3.81
         QG     36 TRP  HN      5.37
 36 TRP  
         HN     36 TRP  QB      3.90
         HA     37 SER  HN      2.80
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           H1       ASP   1  -8.657  -5.502  -4.555
    2    H2   ASP   1           H2       ASP   1  -7.413  -6.212  -5.354
    3    H3   ASP   1           H3       ASP   1  -8.912  -6.836  -5.481
    4    HA   ASP   1           HA       ASP   1  -8.982  -7.642  -3.314
    5   1HB   ASP   1          1HB       ASP   1  -7.009  -9.109  -3.123
    6   2HB   ASP   1          2HB       ASP   1  -7.614  -9.064  -4.771
    7    H    ILE   2           H        ILE   2  -7.448  -8.018  -1.254
    8    HA   ILE   2           HA       ILE   2  -7.538  -5.609   0.098
    9    HB   ILE   2           HB       ILE   2  -7.491  -7.914   1.001
   10   1HG1  ILE   2          1HG1      ILE   2  -6.083  -7.546   3.016
   11   2HG1  ILE   2          2HG1      ILE   2  -5.512  -6.022   2.327
   12   1HG2  ILE   2          1HG2      ILE   2  -5.479  -8.752  -0.309
   13   2HG2  ILE   2          2HG2      ILE   2  -4.446  -7.790   0.770
   14   3HG2  ILE   2          3HG2      ILE   2  -5.413  -9.111   1.422
   15   1HD1  ILE   2          1HD1      ILE   2  -8.425  -6.768   2.856
   16   2HD1  ILE   2          2HD1      ILE   2  -7.402  -5.885   3.990
   17   3HD1  ILE   2          3HD1      ILE   2  -7.802  -5.154   2.419
   18    H    CYS   3           H        CYS   3  -4.854  -6.799  -1.876
   19    HA   CYS   3           HA       CYS   3  -2.833  -5.041  -0.740
   20   1HB   CYS   3          1HB       CYS   3  -2.706  -7.120  -2.444
   21   2HB   CYS   3          2HB       CYS   3  -2.924  -5.826  -3.641
   22    H    ASP   4           H        ASP   4  -5.226  -4.911  -3.296
   23    HA   ASP   4           HA       ASP   4  -4.475  -2.304  -4.329
   24   1HB   ASP   4          1HB       ASP   4  -5.473  -4.017  -5.691
   25   2HB   ASP   4          2HB       ASP   4  -6.944  -3.997  -4.727
   26    H    ILE   5           H        ILE   5  -6.804  -3.593  -1.989
   27    HA   ILE   5           HA       ILE   5  -8.139  -1.185  -1.282
   28    HB   ILE   5           HB       ILE   5  -7.378  -3.473   0.558
   29   1HG1  ILE   5          1HG1      ILE   5  -9.853  -2.859  -1.088
   30   2HG1  ILE   5          2HG1      ILE   5  -8.775  -4.183  -1.360
   31   1HG2  ILE   5          1HG2      ILE   5  -7.878  -1.412   1.790
   32   2HG2  ILE   5          2HG2      ILE   5  -9.449  -1.320   0.961
   33   3HG2  ILE   5          3HG2      ILE   5  -9.063  -2.677   2.054
   34   1HD1  ILE   5          1HD1      ILE   5  -9.503  -5.152   0.871
   35   2HD1  ILE   5          2HD1      ILE   5 -10.660  -3.825   0.983
   36   3HD1  ILE   5          3HD1      ILE   5 -10.783  -4.986  -0.339
   37    H    ALA   6           H        ALA   6  -5.120  -2.631   0.109
   38    HA   ALA   6           HA       ALA   6  -4.427  -0.431   1.749
   39   1HB   ALA   6          1HB       ALA   6  -2.179  -1.378   1.768
   40   2HB   ALA   6          2HB       ALA   6  -3.316  -2.746   1.754
   41   3HB   ALA   6          3HB       ALA   6  -2.472  -2.276   0.276
   42    H    ILE   7           H        ILE   7  -3.754  -0.985  -1.730
   43    HA   ILE   7           HA       ILE   7  -2.156   1.377  -1.979
   44    HB   ILE   7           HB       ILE   7  -3.527  -0.312  -4.055
   45   1HG1  ILE   7          1HG1      ILE   7  -0.549   0.003  -3.467
   46   2HG1  ILE   7          2HG1      ILE   7  -1.507  -1.149  -2.542
   47   1HG2  ILE   7          1HG2      ILE   7  -1.563   1.991  -4.364
   48   2HG2  ILE   7          2HG2      ILE   7  -2.003   0.875  -5.669
   49   3HG2  ILE   7          3HG2      ILE   7  -3.226   1.943  -4.988
   50   1HD1  ILE   7          1HD1      ILE   7  -2.166  -2.310  -4.616
   51   2HD1  ILE   7          2HD1      ILE   7  -1.161  -1.184  -5.557
   52   3HD1  ILE   7          3HD1      ILE   7  -0.410  -2.271  -4.371
   53    H    ALA   8           H        ALA   8  -5.637   0.877  -2.403
   54    HA   ALA   8           HA       ALA   8  -6.258   3.515  -3.285
   55   1HB   ALA   8          1HB       ALA   8  -7.802   1.538  -3.208
   56   2HB   ALA   8          2HB       ALA   8  -7.908   1.712  -1.456
   57   3HB   ALA   8          3HB       ALA   8  -8.502   3.016  -2.503
   58    H    GLN   9           H        GLN   9  -5.952   2.011  -0.120
   59    HA   GLN   9           HA       GLN   9  -6.560   4.397   1.439
   60   1HB   GLN   9          1HB       GLN   9  -5.544   1.583   2.030
   61   2HB   GLN   9          2HB       GLN   9  -5.718   2.781   3.278
   62   1HG   GLN   9          1HG       GLN   9  -8.185   3.077   2.289
   63   2HG   GLN   9          2HG       GLN   9  -7.868   1.522   1.531
   64   2HE2  GLN   9          2HE2      GLN   9  -9.356   0.271   2.806
   65   1HE2  GLN   9          1HE2      GLN   9  -9.128   0.106   4.547
   66    H    CYS  10           H        CYS  10  -3.788   3.103  -0.044
   67    HA   CYS  10           HA       CYS  10  -1.612   3.268   0.034
   68   1HB   CYS  10          1HB       CYS  10  -0.574   5.528   0.277
   69   2HB   CYS  10          2HB       CYS  10  -1.636   5.221  -1.058
   70    H    SER  11           H        SER  11  -1.964   1.948   1.886
   71    HA   SER  11           HA       SER  11  -1.239   3.151   4.532
   72   1HB   SER  11          1HB       SER  11  -3.628   2.671   4.391
   73   2HB   SER  11          2HB       SER  11  -3.302   1.011   3.858
   74    HG   SER  11           HG       SER  11  -3.730   1.566   6.210
   75    H    LEU  12           H        LEU  12   0.702   2.412   5.160
   76    HA   LEU  12           HA       LEU  12   1.745  -0.073   4.103
   77   1HB   LEU  12          1HB       LEU  12   2.756   1.659   6.392
   78   2HB   LEU  12          2HB       LEU  12   3.528   0.203   5.771
   79    HG   LEU  12           HG       LEU  12   3.313   2.930   4.481
   80   1HD1  LEU  12          1HD1      LEU  12   5.438   0.783   4.893
   81   2HD1  LEU  12          2HD1      LEU  12   5.693   2.043   3.745
   82   3HD1  LEU  12          3HD1      LEU  12   5.450   2.473   5.460
   83   1HD2  LEU  12          1HD2      LEU  12   3.617   0.340   2.941
   84   2HD2  LEU  12          2HD2      LEU  12   2.349   1.556   2.728
   85   3HD2  LEU  12          3HD2      LEU  12   4.010   1.916   2.268
   86    H    THR  13           H        THR  13  -0.031   0.618   7.196
   87    HA   THR  13           HA       THR  13   0.624  -1.960   8.197
   88    HB   THR  13           HB       THR  13  -2.080  -0.652   8.689
   89    HG1  THR  13           HG1      THR  13   0.492   0.105   9.536
   90   1HG2  THR  13          1HG2      THR  13  -1.568  -2.889   9.704
   91   2HG2  THR  13          2HG2      THR  13  -0.124  -2.201  10.475
   92   3HG2  THR  13          3HG2      THR  13  -1.743  -1.635  10.926
   93    H    LEU  14           H        LEU  14  -2.139  -0.878   6.219
   94    HA   LEU  14           HA       LEU  14  -3.349  -3.433   6.041
   95   1HB   LEU  14          1HB       LEU  14  -4.019  -0.895   5.354
   96   2HB   LEU  14          2HB       LEU  14  -3.666  -1.518   3.757
   97    HG   LEU  14           HG       LEU  14  -5.575  -2.706   5.847
   98   1HD1  LEU  14          1HD1      LEU  14  -6.139  -0.866   3.483
   99   2HD1  LEU  14          2HD1      LEU  14  -7.367  -1.671   4.482
  100   3HD1  LEU  14          3HD1      LEU  14  -6.298  -0.459   5.206
  101   1HD2  LEU  14          1HD2      LEU  14  -5.228  -3.184   2.864
  102   2HD2  LEU  14          2HD2      LEU  14  -4.891  -4.343   4.187
  103   3HD2  LEU  14          3HD2      LEU  14  -6.557  -3.800   3.873
  104    H    CYS  15           H        CYS  15  -0.523  -2.084   4.391
  105    HA   CYS  15           HA       CYS  15  -0.599  -3.931   2.162
  106   1HB   CYS  15          1HB       CYS  15   1.613  -2.263   3.372
  107   2HB   CYS  15          2HB       CYS  15   2.003  -3.579   2.288
  108    H    GLN  16           H        GLN  16   0.238  -4.323   5.550
  109    HA   GLN  16           HA       GLN  16   1.858  -6.695   5.137
  110   1HB   GLN  16          1HB       GLN  16   0.404  -5.755   7.620
  111   2HB   GLN  16          2HB       GLN  16   1.692  -6.962   7.520
  112   1HG   GLN  16          1HG       GLN  16   3.162  -5.151   6.454
  113   2HG   GLN  16          2HG       GLN  16   1.931  -3.984   6.949
  114   2HE2  GLN  16          2HE2      GLN  16   4.838  -5.277   7.884
  115   1HE2  GLN  16          1HE2      GLN  16   4.672  -5.151   9.640
  116    H    ASP  17           H        ASP  17  -1.559  -6.129   4.890
  117    HA   ASP  17           HA       ASP  17  -2.357  -8.904   5.305
  118   1HB   ASP  17          1HB       ASP  17  -3.688  -6.671   3.698
  119   2HB   ASP  17          2HB       ASP  17  -4.339  -8.266   4.059
  120    H    CYS  18           H        CYS  18  -0.882  -6.975   2.731
  121    HA   CYS  18           HA       CYS  18  -1.865  -8.592   0.527
  122   1HB   CYS  18          1HB       CYS  18  -1.364  -6.264   0.227
  123   2HB   CYS  18          2HB       CYS  18   0.341  -6.496   0.621
  124    H    GLU  19           H        GLU  19  -0.953 -10.174  -0.567
  125    HA   GLU  19           HA       GLU  19   0.832 -11.987   0.472
  126   1HB   GLU  19          1HB       GLU  19  -0.699 -12.415  -1.347
  127   2HB   GLU  19          2HB       GLU  19   0.254 -11.384  -2.397
  128   1HG   GLU  19          1HG       GLU  19   1.620 -13.708  -1.044
  129   2HG   GLU  19          2HG       GLU  19   0.528 -14.036  -2.385
  130    H    ASN  20           H        ASN  20   1.692  -9.614  -2.167
  131    HA   ASN  20           HA       ASN  20   4.508 -10.047  -1.511
  132   1HB   ASN  20          1HB       ASN  20   4.945  -8.897  -3.513
  133   2HB   ASN  20          2HB       ASN  20   3.950 -10.317  -3.784
  134   2HD2  ASN  20          2HD2      ASN  20   4.244  -8.541  -5.818
  135   1HD2  ASN  20          1HD2      ASN  20   2.715  -7.750  -6.109
  136    H    THR  21           H        THR  21   3.826  -9.070   0.614
  137    HA   THR  21           HA       THR  21   3.086  -6.613   1.188
  138    HB   THR  21           HB       THR  21   5.369  -7.931   2.575
  139    HG1  THR  21           HG1      THR  21   2.614  -8.491   2.455
  140   1HG2  THR  21          1HG2      THR  21   3.226  -6.002   3.499
  141   2HG2  THR  21          2HG2      THR  21   4.261  -6.948   4.600
  142   3HG2  THR  21          3HG2      THR  21   4.971  -5.764   3.498
  143    HA   PRO  22           HA       PRO  22   7.143  -4.189   0.871
  144   1HB   PRO  22          1HB       PRO  22   9.281  -5.148  -0.638
  145   2HB   PRO  22          2HB       PRO  22   9.088  -5.447   1.103
  146   1HG   PRO  22          1HG       PRO  22   8.251  -7.266  -1.177
  147   2HG   PRO  22          2HG       PRO  22   9.222  -7.703   0.254
  148   1HD   PRO  22          1HD       PRO  22   6.594  -8.213   0.244
  149   2HD   PRO  22          2HD       PRO  22   7.349  -7.489   1.698
  150    H    ILE  23           H        ILE  23   6.060  -6.129  -1.923
  151    HA   ILE  23           HA       ILE  23   6.681  -4.077  -3.882
  152    HB   ILE  23           HB       ILE  23   4.893  -6.439  -4.003
  153   1HG1  ILE  23          1HG1      ILE  23   7.291  -6.963  -3.682
  154   2HG1  ILE  23          2HG1      ILE  23   6.648  -7.382  -5.265
  155   1HG2  ILE  23          1HG2      ILE  23   5.698  -4.432  -6.130
  156   2HG2  ILE  23          2HG2      ILE  23   5.098  -6.066  -6.494
  157   3HG2  ILE  23          3HG2      ILE  23   4.069  -4.927  -5.625
  158   1HD1  ILE  23          1HD1      ILE  23   7.761  -5.438  -6.291
  159   2HD1  ILE  23          2HD1      ILE  23   8.467  -5.031  -4.704
  160   3HD1  ILE  23          3HD1      ILE  23   8.887  -6.549  -5.505
  161    H    CYS  24           H        CYS  24   3.949  -5.047  -1.802
  162    HA   CYS  24           HA       CYS  24   2.033  -3.095  -2.709
  163   1HB   CYS  24          1HB       CYS  24   1.457  -5.018  -1.326
  164   2HB   CYS  24          2HB       CYS  24   2.284  -4.339   0.059
  165    H    GLU  25           H        GLU  25   4.416  -3.075   0.002
  166    HA   GLU  25           HA       GLU  25   4.042  -0.484   0.922
  167   1HB   GLU  25          1HB       GLU  25   6.459  -2.273   0.659
  168   2HB   GLU  25          2HB       GLU  25   6.603  -0.797   1.501
  169   1HG   GLU  25          1HG       GLU  25   4.882  -1.506   3.142
  170   2HG   GLU  25          2HG       GLU  25   4.730  -3.052   2.295
  171    H    LEU  26           H        LEU  26   6.121  -1.617  -1.773
  172    HA   LEU  26           HA       LEU  26   7.269   0.952  -2.256
  173   1HB   LEU  26          1HB       LEU  26   8.163  -1.328  -2.957
  174   2HB   LEU  26          2HB       LEU  26   7.012  -1.324  -4.283
  175    HG   LEU  26           HG       LEU  26   8.837   1.075  -3.923
  176   1HD1  LEU  26          1HD1      LEU  26   9.721  -1.584  -5.095
  177   2HD1  LEU  26          2HD1      LEU  26  10.631  -0.061  -5.187
  178   3HD1  LEU  26          3HD1      LEU  26  10.353  -0.830  -3.619
  179   1HD2  LEU  26          1HD2      LEU  26   7.135   1.015  -5.800
  180   2HD2  LEU  26          2HD2      LEU  26   8.804   1.087  -6.381
  181   3HD2  LEU  26          3HD2      LEU  26   7.924  -0.451  -6.408
  182    H    ALA  27           H        ALA  27   4.602  -0.800  -3.870
  183    HA   ALA  27           HA       ALA  27   3.930   1.236  -5.733
  184   1HB   ALA  27          1HB       ALA  27   3.166  -1.070  -5.898
  185   2HB   ALA  27          2HB       ALA  27   1.783   0.034  -5.881
  186   3HB   ALA  27          3HB       ALA  27   2.186  -0.881  -4.416
  187    H    VAL  28           H        VAL  28   2.917   0.699  -2.346
  188    HA   VAL  28           HA       VAL  28   0.958   2.743  -2.292
  189    HB   VAL  28           HB       VAL  28   2.443   1.207  -0.215
  190   1HG1  VAL  28          1HG1      VAL  28   0.845   3.730   0.239
  191   2HG1  VAL  28          2HG1      VAL  28   0.823   2.433   1.440
  192   3HG1  VAL  28          3HG1      VAL  28   2.369   3.145   0.978
  193   1HG2  VAL  28          1HG2      VAL  28  -0.451   1.678  -0.903
  194   2HG2  VAL  28          2HG2      VAL  28   0.463   0.215  -1.325
  195   3HG2  VAL  28          3HG2      VAL  28   0.073   0.596   0.371
  196    H    LYS  29           H        LYS  29   4.482   2.907  -1.181
  197    HA   LYS  29           HA       LYS  29   4.520   5.692  -1.022
  198   1HB   LYS  29          1HB       LYS  29   6.413   3.490  -1.150
  199   2HB   LYS  29          2HB       LYS  29   6.982   4.749  -2.250
  200   1HG   LYS  29          1HG       LYS  29   7.136   6.334  -0.564
  201   2HG   LYS  29          2HG       LYS  29   5.993   5.585   0.472
  202   1HD   LYS  29          1HD       LYS  29   8.114   5.314   1.499
  203   2HD   LYS  29          2HD       LYS  29   7.599   3.723   0.920
  204   1HE   LYS  29          1HE       LYS  29   9.112   3.801  -0.948
  205   2HE   LYS  29          2HE       LYS  29   9.413   5.539  -0.685
  206   1HZ   LYS  29          1HZ       LYS  29  10.216   3.475   1.261
  207   2HZ   LYS  29          2HZ       LYS  29  11.191   4.158   0.087
  208   3HZ   LYS  29          3HZ       LYS  29  10.551   5.096   1.256
  209    H    GLY  30           H        GLY  30   4.609   3.685  -3.938
  210   1HA   GLY  30          1HA       GLY  30   3.991   4.236  -6.082
  211   2HA   GLY  30          2HA       GLY  30   5.041   5.653  -5.906
  212    H    SER  31           H        SER  31   1.941   4.647  -4.355
  213    HA   SER  31           HA       SER  31   0.424   6.540  -5.866
  214   1HB   SER  31          1HB       SER  31  -0.362   4.943  -3.395
  215   2HB   SER  31          2HB       SER  31  -1.466   5.658  -4.583
  216    HG   SER  31           HG       SER  31  -0.903   4.154  -6.039
  217    H    CYS  32           H        CYS  32   1.806   6.680  -2.537
  218    HA   CYS  32           HA       CYS  32   0.733   9.438  -2.355
  219   1HB   CYS  32          1HB       CYS  32   0.397   7.315  -0.269
  220   2HB   CYS  32          2HB       CYS  32   0.112   9.018   0.060
  221    HA   PRO  33           HA       PRO  33   4.897   9.971  -1.348
  222   1HB   PRO  33          1HB       PRO  33   4.925  12.470  -0.184
  223   2HB   PRO  33          2HB       PRO  33   4.549  12.167  -1.915
  224   1HG   PRO  33          1HG       PRO  33   2.573  12.506   0.352
  225   2HG   PRO  33          2HG       PRO  33   2.583  13.344  -1.232
  226   1HD   PRO  33          1HD       PRO  33   1.064  11.162  -0.791
  227   2HD   PRO  33          2HD       PRO  33   1.904  11.385  -2.365
  228    HA   PRO  34           HA       PRO  34   5.026   8.531   2.885
  229   1HB   PRO  34          1HB       PRO  34   7.694   7.989   3.191
  230   2HB   PRO  34          2HB       PRO  34   6.643   7.057   2.101
  231   1HG   PRO  34          1HG       PRO  34   8.428   9.406   1.387
  232   2HG   PRO  34          2HG       PRO  34   8.399   7.819   0.592
  233   1HD   PRO  34          1HD       PRO  34   6.998   9.946  -0.391
  234   2HD   PRO  34          2HD       PRO  34   6.279   8.322  -0.458
  235    HA   PRO  35           HA       PRO  35   5.625   8.237   5.114
  236   1HB   PRO  35          1HB       PRO  35   4.774   9.270   7.479
  237   2HB   PRO  35          2HB       PRO  35   6.483   8.917   7.121
  238   1HG   PRO  35          1HG       PRO  35   5.103  11.600   6.976
  239   2HG   PRO  35          2HG       PRO  35   6.664  11.207   7.737
  240   1HD   PRO  35          1HD       PRO  35   6.447  12.240   5.191
  241   2HD   PRO  35          2HD       PRO  35   7.747  11.100   5.661
  242    H    TRP  36           H        TRP  36   3.282   7.778   5.924
  243    HA   TRP  36           HA       TRP  36   1.574   9.047   3.849
  244   1HB   TRP  36          1HB       TRP  36   1.415   6.459   5.415
  245   2HB   TRP  36          2HB       TRP  36   0.198   6.982   4.257
  246    HD1  TRP  36           HD1      TRP  36   0.587   6.339   1.832
  247    HE1  TRP  36           HE1      TRP  36   2.446   5.276   0.468
  248    HE3  TRP  36           HE3      TRP  36   4.209   6.091   5.434
  249    HZ2  TRP  36           HZ2      TRP  36   4.893   3.800   1.142
  250    HZ3  TRP  36           HZ3      TRP  36   6.329   5.027   5.001
  251    HH2  TRP  36           HH2      TRP  36   6.701   3.832   2.881
  252    H    SER  37           H        SER  37  -0.762   9.267   4.420
  253    HA   SER  37           HA       SER  37  -1.198  10.743   6.906
  254   1HB   SER  37          1HB       SER  37  -3.572  10.641   5.872
  255   2HB   SER  37          2HB       SER  37  -2.338  11.563   4.995
  256    HG   SER  37           HG       SER  37  -2.936   8.827   4.562

  No H/Q in entry =         256
  Start of MODEL    2
    1    H1   ASP   1           H1       ASP   1  -9.484  -6.761  -4.042
    2    H2   ASP   1           H2       ASP   1  -8.429  -6.315  -5.206
    3    H3   ASP   1           H3       ASP   1  -9.100  -7.841  -5.213
    4    HA   ASP   1           HA       ASP   1  -8.176  -8.436  -3.176
    5   1HB   ASP   1          1HB       ASP   1  -5.932  -8.885  -3.758
    6   2HB   ASP   1          2HB       ASP   1  -6.855  -8.959  -5.258
    7    H    ILE   2           H        ILE   2  -6.604  -7.983  -1.484
    8    HA   ILE   2           HA       ILE   2  -7.187  -5.392  -0.362
    9    HB   ILE   2           HB       ILE   2  -7.127  -7.629   0.699
   10   1HG1  ILE   2          1HG1      ILE   2  -6.086  -7.066   2.847
   11   2HG1  ILE   2          2HG1      ILE   2  -5.414  -5.579   2.160
   12   1HG2  ILE   2          1HG2      ILE   2  -4.927  -8.411  -0.294
   13   2HG2  ILE   2          2HG2      ILE   2  -4.108  -7.310   0.840
   14   3HG2  ILE   2          3HG2      ILE   2  -5.071  -8.658   1.444
   15   1HD1  ILE   2          1HD1      ILE   2  -8.388  -6.290   2.243
   16   2HD1  ILE   2          2HD1      ILE   2  -7.557  -5.419   3.547
   17   3HD1  ILE   2          3HD1      ILE   2  -7.656  -4.689   1.942
   18    H    CYS   3           H        CYS   3  -4.611  -6.562  -2.322
   19    HA   CYS   3           HA       CYS   3  -2.480  -4.819  -1.284
   20   1HB   CYS   3          1HB       CYS   3  -2.659  -6.904  -3.274
   21   2HB   CYS   3          2HB       CYS   3  -2.350  -5.406  -4.154
   22    H    ASP   4           H        ASP   4  -4.902  -4.835  -3.812
   23    HA   ASP   4           HA       ASP   4  -4.525  -2.178  -4.849
   24   1HB   ASP   4          1HB       ASP   4  -5.912  -3.410  -6.194
   25   2HB   ASP   4          2HB       ASP   4  -6.712  -4.222  -4.871
   26    H    ILE   5           H        ILE   5  -6.639  -3.445  -2.290
   27    HA   ILE   5           HA       ILE   5  -7.707  -0.973  -1.463
   28    HB   ILE   5           HB       ILE   5  -7.018  -3.359   0.287
   29   1HG1  ILE   5          1HG1      ILE   5  -9.437  -2.501  -1.306
   30   2HG1  ILE   5          2HG1      ILE   5  -8.494  -3.924  -1.577
   31   1HG2  ILE   5          1HG2      ILE   5  -7.397  -1.398   1.682
   32   2HG2  ILE   5          2HG2      ILE   5  -8.959  -1.120   0.862
   33   3HG2  ILE   5          3HG2      ILE   5  -8.685  -2.573   1.852
   34   1HD1  ILE   5          1HD1      ILE   5  -9.346  -4.895   0.553
   35   2HD1  ILE   5          2HD1      ILE   5 -10.401  -3.466   0.719
   36   3HD1  ILE   5          3HD1      ILE   5 -10.587  -4.560  -0.651
   37    H    ALA   6           H        ALA   6  -4.823  -2.548  -0.009
   38    HA   ALA   6           HA       ALA   6  -4.110  -0.432   1.720
   39   1HB   ALA   6          1HB       ALA   6  -1.857  -1.533   1.666
   40   2HB   ALA   6          2HB       ALA   6  -3.115  -2.786   1.718
   41   3HB   ALA   6          3HB       ALA   6  -2.318  -2.408   0.192
   42    H    ILE   7           H        ILE   7  -3.171  -0.990  -1.631
   43    HA   ILE   7           HA       ILE   7  -1.469   1.275  -1.957
   44    HB   ILE   7           HB       ILE   7  -3.074  -0.428  -3.855
   45   1HG1  ILE   7          1HG1      ILE   7  -0.072  -0.251  -3.314
   46   2HG1  ILE   7          2HG1      ILE   7  -1.094  -1.373  -2.445
   47   1HG2  ILE   7          1HG2      ILE   7  -2.614   1.811  -4.871
   48   2HG2  ILE   7          2HG2      ILE   7  -0.870   1.521  -4.614
   49   3HG2  ILE   7          3HG2      ILE   7  -1.805   0.485  -5.691
   50   1HD1  ILE   7          1HD1      ILE   7  -1.829  -2.374  -4.630
   51   2HD1  ILE   7          2HD1      ILE   7  -0.589  -1.391  -5.437
   52   3HD1  ILE   7          3HD1      ILE   7  -0.119  -2.588  -4.214
   53    H    ALA   8           H        ALA   8  -4.991   0.868  -2.573
   54    HA   ALA   8           HA       ALA   8  -5.447   3.513  -3.487
   55   1HB   ALA   8          1HB       ALA   8  -6.965   1.575  -3.873
   56   2HB   ALA   8          2HB       ALA   8  -7.363   1.557  -2.142
   57   3HB   ALA   8          3HB       ALA   8  -7.801   2.955  -3.141
   58    H    GLN   9           H        GLN   9  -5.315   2.062  -0.321
   59    HA   GLN   9           HA       GLN   9  -6.350   4.389   1.156
   60   1HB   GLN   9          1HB       GLN   9  -5.320   1.599   1.815
   61   2HB   GLN   9          2HB       GLN   9  -5.617   2.759   3.063
   62   1HG   GLN   9          1HG       GLN   9  -7.966   2.832   1.391
   63   2HG   GLN   9          2HG       GLN   9  -7.518   1.133   1.486
   64   2HE2  GLN   9          2HE2      GLN   9  -9.818   1.293   2.547
   65   1HE2  GLN   9          1HE2      GLN   9  -9.789   1.474   4.295
   66    H    CYS  10           H        CYS  10  -3.334   3.523  -0.207
   67    HA   CYS  10           HA       CYS  10  -1.270   3.716   0.348
   68   1HB   CYS  10          1HB       CYS  10  -1.255   6.419   1.387
   69   2HB   CYS  10          2HB       CYS  10  -0.482   5.679  -0.021
   70    H    SER  11           H        SER  11  -1.879   2.133   2.083
   71    HA   SER  11           HA       SER  11  -0.705   3.124   4.634
   72   1HB   SER  11          1HB       SER  11  -3.067   2.884   5.030
   73   2HB   SER  11          2HB       SER  11  -3.068   1.267   4.313
   74    HG   SER  11           HG       SER  11  -2.928   1.207   6.641
   75    H    LEU  12           H        LEU  12   1.049   2.080   5.162
   76    HA   LEU  12           HA       LEU  12   1.947  -0.346   3.774
   77   1HB   LEU  12          1HB       LEU  12   3.180   1.165   6.093
   78   2HB   LEU  12          2HB       LEU  12   3.904  -0.168   5.187
   79    HG   LEU  12           HG       LEU  12   3.220   2.614   4.094
   80   1HD1  LEU  12          1HD1      LEU  12   5.790   1.108   4.719
   81   2HD1  LEU  12          2HD1      LEU  12   5.751   2.512   3.677
   82   3HD1  LEU  12          3HD1      LEU  12   5.247   2.681   5.374
   83   1HD2  LEU  12          1HD2      LEU  12   2.946   0.842   2.300
   84   2HD2  LEU  12          2HD2      LEU  12   4.313   1.926   2.011
   85   3HD2  LEU  12          3HD2      LEU  12   4.606   0.325   2.677
   86    H    THR  13           H        THR  13   0.473   0.549   6.942
   87    HA   THR  13           HA       THR  13   0.831  -2.040   8.068
   88    HB   THR  13           HB       THR  13  -1.536  -0.188   8.563
   89    HG1  THR  13           HG1      THR  13  -0.229   1.135   9.508
   90   1HG2  THR  13          1HG2      THR  13  -0.022  -2.121  10.388
   91   2HG2  THR  13          2HG2      THR  13  -1.351  -1.054  10.885
   92   3HG2  THR  13          3HG2      THR  13  -1.653  -2.370   9.742
   93    H    LEU  14           H        LEU  14  -1.812  -0.703   6.073
   94    HA   LEU  14           HA       LEU  14  -3.363  -3.103   6.031
   95   1HB   LEU  14          1HB       LEU  14  -3.765  -0.580   5.289
   96   2HB   LEU  14          2HB       LEU  14  -3.376  -1.204   3.695
   97    HG   LEU  14           HG       LEU  14  -5.526  -2.164   5.668
   98   1HD1  LEU  14          1HD1      LEU  14  -5.757  -0.272   3.294
   99   2HD1  LEU  14          2HD1      LEU  14  -7.103  -0.911   4.244
  100   3HD1  LEU  14          3HD1      LEU  14  -5.927   0.164   5.007
  101   1HD2  LEU  14          1HD2      LEU  14  -5.149  -2.709   2.713
  102   2HD2  LEU  14          2HD2      LEU  14  -4.943  -3.878   4.049
  103   3HD2  LEU  14          3HD2      LEU  14  -6.546  -3.197   3.701
  104    H    CYS  15           H        CYS  15  -0.425  -2.122   4.293
  105    HA   CYS  15           HA       CYS  15  -0.706  -4.057   2.172
  106   1HB   CYS  15          1HB       CYS  15   1.700  -2.575   3.261
  107   2HB   CYS  15          2HB       CYS  15   1.895  -3.927   2.184
  108    H    GLN  16           H        GLN  16   0.120  -4.410   5.563
  109    HA   GLN  16           HA       GLN  16   1.486  -6.949   5.205
  110   1HB   GLN  16          1HB       GLN  16   0.174  -5.814   7.697
  111   2HB   GLN  16          2HB       GLN  16   1.315  -7.163   7.603
  112   1HG   GLN  16          1HG       GLN  16   3.027  -5.639   6.657
  113   2HG   GLN  16          2HG       GLN  16   1.924  -4.268   6.827
  114   2HE2  GLN  16          2HE2      GLN  16   4.589  -4.830   8.072
  115   1HE2  GLN  16          1HE2      GLN  16   4.342  -4.617   9.781
  116    H    ASP  17           H        ASP  17  -1.767  -6.139   4.650
  117    HA   ASP  17           HA       ASP  17  -2.724  -8.904   5.188
  118   1HB   ASP  17          1HB       ASP  17  -4.110  -6.438   4.080
  119   2HB   ASP  17          2HB       ASP  17  -4.814  -8.055   4.250
  120    H    CYS  18           H        CYS  18  -1.179  -7.057   2.714
  121    HA   CYS  18           HA       CYS  18  -2.129  -8.827   0.524
  122   1HB   CYS  18          1HB       CYS  18  -1.952  -6.534  -0.051
  123   2HB   CYS  18          2HB       CYS  18  -0.266  -6.442   0.491
  124    H    GLU  19           H        GLU  19  -1.093 -10.554  -0.024
  125    HA   GLU  19           HA       GLU  19   0.822 -11.934   1.236
  126   1HB   GLU  19          1HB       GLU  19  -0.499 -12.701  -0.674
  127   2HB   GLU  19          2HB       GLU  19   0.526 -11.731  -1.728
  128   1HG   GLU  19          1HG       GLU  19   2.507 -13.089  -0.868
  129   2HG   GLU  19          2HG       GLU  19   1.318 -14.126  -0.042
  130    H    ASN  20           H        ASN  20   1.729  -9.968  -1.657
  131    HA   ASN  20           HA       ASN  20   4.523 -10.306  -0.914
  132   1HB   ASN  20          1HB       ASN  20   5.024  -9.711  -3.055
  133   2HB   ASN  20          2HB       ASN  20   3.660 -10.806  -3.164
  134   2HD2  ASN  20          2HD2      ASN  20   4.553  -9.220  -5.288
  135   1HD2  ASN  20          1HD2      ASN  20   3.364  -7.982  -5.663
  136    H    THR  21           H        THR  21   3.653  -8.942   1.022
  137    HA   THR  21           HA       THR  21   3.059  -6.425   1.184
  138    HB   THR  21           HB       THR  21   5.238  -7.509   2.896
  139    HG1  THR  21           HG1      THR  21   2.451  -8.075   2.677
  140   1HG2  THR  21          1HG2      THR  21   4.649  -5.200   3.408
  141   2HG2  THR  21          2HG2      THR  21   2.943  -5.642   3.535
  142   3HG2  THR  21          3HG2      THR  21   4.125  -6.298   4.685
  143    HA   PRO  22           HA       PRO  22   7.244  -4.295   0.730
  144   1HB   PRO  22          1HB       PRO  22   9.245  -5.550  -0.876
  145   2HB   PRO  22          2HB       PRO  22   9.211  -5.525   0.897
  146   1HG   PRO  22          1HG       PRO  22   8.172  -7.685  -0.953
  147   2HG   PRO  22          2HG       PRO  22   9.134  -7.895   0.526
  148   1HD   PRO  22          1HD       PRO  22   6.506  -8.291   0.573
  149   2HD   PRO  22          2HD       PRO  22   7.281  -7.407   1.911
  150    H    ILE  23           H        ILE  23   6.054  -6.248  -1.996
  151    HA   ILE  23           HA       ILE  23   6.582  -4.173  -3.971
  152    HB   ILE  23           HB       ILE  23   5.107  -6.760  -3.873
  153   1HG1  ILE  23          1HG1      ILE  23   6.812  -7.366  -5.561
  154   2HG1  ILE  23          2HG1      ILE  23   7.631  -5.820  -5.273
  155   1HG2  ILE  23          1HG2      ILE  23   5.261  -4.720  -6.099
  156   2HG2  ILE  23          2HG2      ILE  23   4.984  -6.457  -6.383
  157   3HG2  ILE  23          3HG2      ILE  23   3.836  -5.543  -5.420
  158   1HD1  ILE  23          1HD1      ILE  23   7.188  -7.958  -3.148
  159   2HD1  ILE  23          2HD1      ILE  23   8.619  -7.878  -4.192
  160   3HD1  ILE  23          3HD1      ILE  23   8.304  -6.557  -3.076
  161    H    CYS  24           H        CYS  24   3.966  -5.197  -1.812
  162    HA   CYS  24           HA       CYS  24   1.972  -3.324  -2.753
  163   1HB   CYS  24          1HB       CYS  24   1.509  -5.264  -1.300
  164   2HB   CYS  24          2HB       CYS  24   2.319  -4.477   0.031
  165    H    GLU  25           H        GLU  25   4.563  -3.173  -0.289
  166    HA   GLU  25           HA       GLU  25   4.039  -0.658   0.783
  167   1HB   GLU  25          1HB       GLU  25   6.496  -2.363   0.354
  168   2HB   GLU  25          2HB       GLU  25   6.642  -0.893   1.209
  169   1HG   GLU  25          1HG       GLU  25   5.057  -1.750   2.969
  170   2HG   GLU  25          2HG       GLU  25   4.940  -3.261   2.094
  171    H    LEU  26           H        LEU  26   6.157  -1.694  -1.896
  172    HA   LEU  26           HA       LEU  26   7.181   0.851  -2.599
  173   1HB   LEU  26          1HB       LEU  26   8.063  -1.317  -3.382
  174   2HB   LEU  26          2HB       LEU  26   6.630  -1.586  -4.363
  175    HG   LEU  26           HG       LEU  26   7.918   1.053  -4.844
  176   1HD1  LEU  26          1HD1      LEU  26   9.950  -0.334  -4.429
  177   2HD1  LEU  26          2HD1      LEU  26   9.423  -1.442  -5.681
  178   3HD1  LEU  26          3HD1      LEU  26   9.812   0.238  -6.099
  179   1HD2  LEU  26          1HD2      LEU  26   6.064   0.102  -6.238
  180   2HD2  LEU  26          2HD2      LEU  26   7.521   0.435  -7.176
  181   3HD2  LEU  26          3HD2      LEU  26   7.131  -1.232  -6.708
  182    H    ALA  27           H        ALA  27   4.316  -0.940  -3.853
  183    HA   ALA  27           HA       ALA  27   3.460   1.102  -5.631
  184   1HB   ALA  27          1HB       ALA  27   1.880  -1.050  -4.187
  185   2HB   ALA  27          2HB       ALA  27   1.272  -0.034  -5.520
  186   3HB   ALA  27          3HB       ALA  27   2.622  -1.151  -5.796
  187    H    VAL  28           H        VAL  28   2.706   0.597  -2.157
  188    HA   VAL  28           HA       VAL  28   0.869   2.715  -1.906
  189    HB   VAL  28           HB       VAL  28   2.603   1.211  -0.012
  190   1HG1  VAL  28          1HG1      VAL  28   1.035   3.720   0.660
  191   2HG1  VAL  28          2HG1      VAL  28   1.323   2.455   1.868
  192   3HG1  VAL  28          3HG1      VAL  28   2.695   3.247   1.111
  193   1HG2  VAL  28          1HG2      VAL  28   0.454   0.249  -0.842
  194   2HG2  VAL  28          2HG2      VAL  28   0.431   0.551   0.912
  195   3HG2  VAL  28          3HG2      VAL  28  -0.382   1.673  -0.163
  196    H    LYS  29           H        LYS  29   4.499   2.830  -1.350
  197    HA   LYS  29           HA       LYS  29   4.684   5.584  -1.181
  198   1HB   LYS  29          1HB       LYS  29   6.485   3.401  -1.460
  199   2HB   LYS  29          2HB       LYS  29   6.798   4.394  -2.862
  200   1HG   LYS  29          1HG       LYS  29   6.718   6.349  -1.021
  201   2HG   LYS  29          2HG       LYS  29   7.162   5.047   0.044
  202   1HD   LYS  29          1HD       LYS  29   8.754   5.679  -2.462
  203   2HD   LYS  29          2HD       LYS  29   9.126   6.357  -0.870
  204   1HE   LYS  29          1HE       LYS  29   9.024   3.414  -1.544
  205   2HE   LYS  29          2HE       LYS  29  10.505   4.381  -1.380
  206   1HZ   LYS  29          1HZ       LYS  29   9.567   4.801   0.981
  207   2HZ   LYS  29          2HZ       LYS  29   8.657   3.417   0.653
  208   3HZ   LYS  29          3HZ       LYS  29  10.292   3.405   0.648
  209    H    GLY  30           H        GLY  30   3.255   4.158  -3.857
  210   1HA   GLY  30          1HA       GLY  30   3.503   4.859  -6.158
  211   2HA   GLY  30          2HA       GLY  30   3.837   6.506  -5.602
  212    H    SER  31           H        SER  31   1.550   5.300  -3.472
  213    HA   SER  31           HA       SER  31  -0.789   6.242  -5.095
  214   1HB   SER  31          1HB       SER  31  -0.614   4.938  -2.354
  215   2HB   SER  31          2HB       SER  31  -2.098   5.469  -3.157
  216    HG   SER  31           HG       SER  31  -1.560   3.255  -3.460
  217    H    CYS  32           H        CYS  32   1.149   6.858  -2.161
  218    HA   CYS  32           HA       CYS  32   0.072   9.627  -2.084
  219   1HB   CYS  32          1HB       CYS  32   0.471   7.752   0.248
  220   2HB   CYS  32          2HB       CYS  32   0.505   9.482   0.430
  221    HA   PRO  33           HA       PRO  33   4.507  10.267  -1.894
  222   1HB   PRO  33          1HB       PRO  33   4.535  12.821  -0.777
  223   2HB   PRO  33          2HB       PRO  33   4.270  12.458  -2.506
  224   1HG   PRO  33          1HG       PRO  33   2.251  13.090  -0.366
  225   2HG   PRO  33          2HG       PRO  33   2.263  13.616  -2.066
  226   1HD   PRO  33          1HD       PRO  33   0.775  11.520  -1.040
  227   2HD   PRO  33          2HD       PRO  33   1.279  11.606  -2.757
  228    HA   PRO  34           HA       PRO  34   4.678   8.963   2.491
  229   1HB   PRO  34          1HB       PRO  34   7.414   8.587   2.724
  230   2HB   PRO  34          2HB       PRO  34   6.359   7.437   1.863
  231   1HG   PRO  34          1HG       PRO  34   7.933   9.720   0.680
  232   2HG   PRO  34          2HG       PRO  34   7.958   8.017   0.167
  233   1HD   PRO  34          1HD       PRO  34   6.454   9.855  -1.086
  234   2HD   PRO  34          2HD       PRO  34   5.707   8.267  -0.766
  235    HA   PRO  35           HA       PRO  35   5.693   9.007   4.769
  236   1HB   PRO  35          1HB       PRO  35   5.076  10.179   7.145
  237   2HB   PRO  35          2HB       PRO  35   6.725  10.182   6.473
  238   1HG   PRO  35          1HG       PRO  35   4.721  12.438   6.406
  239   2HG   PRO  35          2HG       PRO  35   6.471  12.505   6.720
  240   1HD   PRO  35          1HD       PRO  35   5.195  12.984   4.254
  241   2HD   PRO  35          2HD       PRO  35   6.910  12.545   4.425
  242    H    TRP  36           H        TRP  36   3.895   7.794   4.925
  243    HA   TRP  36           HA       TRP  36   1.391   8.773   3.961
  244   1HB   TRP  36          1HB       TRP  36   2.109   6.112   5.259
  245   2HB   TRP  36          2HB       TRP  36   0.679   6.452   4.294
  246    HD1  TRP  36           HD1      TRP  36   0.928   6.337   1.763
  247    HE1  TRP  36           HE1      TRP  36   2.742   5.539   0.149
  248    HE3  TRP  36           HE3      TRP  36   4.815   6.083   5.068
  249    HZ2  TRP  36           HZ2      TRP  36   5.296   4.128   0.579
  250    HZ3  TRP  36           HZ3      TRP  36   6.941   5.090   4.424
  251    HH2  TRP  36           HH2      TRP  36   7.202   4.065   2.201
  252    H    SER  37           H        SER  37  -0.113   9.756   5.142
  253    HA   SER  37           HA       SER  37  -1.669  10.133   6.647
  254   1HB   SER  37          1HB       SER  37  -0.714   7.776   8.316
  255   2HB   SER  37          2HB       SER  37  -2.239   8.619   8.442
  256    HG   SER  37           HG       SER  37  -2.935   7.819   6.558

  No H/Q in entry =         256
  Start of MODEL    3
    1    H1   ASP   1           H1       ASP   1  -8.081  -5.469  -4.641
    2    H2   ASP   1           H2       ASP   1  -7.057  -6.280  -5.641
    3    H3   ASP   1           H3       ASP   1  -8.653  -6.711  -5.574
    4    HA   ASP   1           HA       ASP   1  -8.456  -7.793  -3.612
    5   1HB   ASP   1          1HB       ASP   1  -6.580  -9.160  -3.697
    6   2HB   ASP   1          2HB       ASP   1  -6.575  -8.581  -5.360
    7    H    ILE   2           H        ILE   2  -6.756  -8.035  -1.557
    8    HA   ILE   2           HA       ILE   2  -7.024  -5.612  -0.161
    9    HB   ILE   2           HB       ILE   2  -6.895  -7.953   0.648
   10   1HG1  ILE   2          1HG1      ILE   2  -7.125  -6.758   2.425
   11   2HG1  ILE   2          2HG1      ILE   2  -5.640  -7.623   2.767
   12   1HG2  ILE   2          1HG2      ILE   2  -4.601  -8.537  -0.436
   13   2HG2  ILE   2          2HG2      ILE   2  -3.909  -7.578   0.900
   14   3HG2  ILE   2          3HG2      ILE   2  -4.822  -9.044   1.252
   15   1HD1  ILE   2          1HD1      ILE   2  -4.365  -5.577   2.085
   16   2HD1  ILE   2          2HD1      ILE   2  -5.949  -4.738   1.965
   17   3HD1  ILE   2          3HD1      ILE   2  -5.420  -5.405   3.515
   18    H    CYS   3           H        CYS   3  -4.146  -6.857  -2.041
   19    HA   CYS   3           HA       CYS   3  -2.314  -4.817  -1.161
   20   1HB   CYS   3          1HB       CYS   3  -2.646  -6.524  -3.638
   21   2HB   CYS   3          2HB       CYS   3  -1.816  -4.994  -3.819
   22    H    ASP   4           H        ASP   4  -4.863  -4.921  -3.667
   23    HA   ASP   4           HA       ASP   4  -4.332  -2.240  -4.580
   24   1HB   ASP   4          1HB       ASP   4  -5.571  -3.952  -5.943
   25   2HB   ASP   4          2HB       ASP   4  -6.942  -3.747  -4.831
   26    H    ILE   5           H        ILE   5  -6.483  -3.605  -2.115
   27    HA   ILE   5           HA       ILE   5  -7.882  -1.242  -1.421
   28    HB   ILE   5           HB       ILE   5  -6.995  -3.515   0.390
   29   1HG1  ILE   5          1HG1      ILE   5  -9.564  -2.965  -1.113
   30   2HG1  ILE   5          2HG1      ILE   5  -8.473  -4.256  -1.435
   31   1HG2  ILE   5          1HG2      ILE   5  -7.538  -1.466   1.660
   32   2HG2  ILE   5          2HG2      ILE   5  -9.164  -1.507   0.928
   33   3HG2  ILE   5          3HG2      ILE   5  -8.590  -2.823   1.992
   34   1HD1  ILE   5          1HD1      ILE   5  -8.986  -5.175   0.880
   35   2HD1  ILE   5          2HD1      ILE   5 -10.226  -3.907   1.013
   36   3HD1  ILE   5          3HD1      ILE   5 -10.363  -5.124  -0.252
   37    H    ALA   6           H        ALA   6  -4.849  -2.589  -0.058
   38    HA   ALA   6           HA       ALA   6  -4.309  -0.494   1.786
   39   1HB   ALA   6          1HB       ALA   6  -2.002  -1.511   1.737
   40   2HB   ALA   6          2HB       ALA   6  -3.253  -2.775   1.827
   41   3HB   ALA   6          3HB       ALA   6  -2.471  -2.429   0.291
   42    H    ILE   7           H        ILE   7  -3.347  -0.971  -1.602
   43    HA   ILE   7           HA       ILE   7  -1.776   1.394  -1.858
   44    HB   ILE   7           HB       ILE   7  -3.249  -0.339  -3.840
   45   1HG1  ILE   7          1HG1      ILE   7  -0.258   0.048  -3.373
   46   2HG1  ILE   7          2HG1      ILE   7  -1.173  -1.150  -2.470
   47   1HG2  ILE   7          1HG2      ILE   7  -1.384   2.001  -4.331
   48   2HG2  ILE   7          2HG2      ILE   7  -1.876   0.849  -5.587
   49   3HG2  ILE   7          3HG2      ILE   7  -3.090   1.881  -4.829
   50   1HD1  ILE   7          1HD1      ILE   7  -1.896  -2.220  -4.602
   51   2HD1  ILE   7          2HD1      ILE   7  -0.822  -1.112  -5.483
   52   3HD1  ILE   7          3HD1      ILE   7  -0.145  -2.260  -4.318
   53    H    ALA   8           H        ALA   8  -5.269   0.796  -2.465
   54    HA   ALA   8           HA       ALA   8  -5.847   3.456  -3.312
   55   1HB   ALA   8          1HB       ALA   8  -7.278   1.501  -3.775
   56   2HB   ALA   8          2HB       ALA   8  -7.649   1.344  -2.049
   57   3HB   ALA   8          3HB       ALA   8  -8.175   2.782  -2.946
   58    H    GLN   9           H        GLN   9  -5.656   1.912  -0.157
   59    HA   GLN   9           HA       GLN   9  -6.653   4.230   1.374
   60   1HB   GLN   9          1HB       GLN   9  -5.593   1.451   2.032
   61   2HB   GLN   9          2HB       GLN   9  -5.764   2.660   3.266
   62   1HG   GLN   9          1HG       GLN   9  -8.225   2.931   2.495
   63   2HG   GLN   9          2HG       GLN   9  -7.960   1.472   1.535
   64   2HE2  GLN   9          2HE2      GLN   9  -8.998  -0.198   2.650
   65   1HE2  GLN   9          1HE2      GLN   9  -8.809  -0.504   4.361
   66    H    CYS  10           H        CYS  10  -3.832   3.466  -0.214
   67    HA   CYS  10           HA       CYS  10  -1.661   3.397   0.180
   68   1HB   CYS  10          1HB       CYS  10  -0.638   5.696   0.390
   69   2HB   CYS  10          2HB       CYS  10  -1.602   5.276  -1.002
   70    H    SER  11           H        SER  11  -1.981   2.172   2.109
   71    HA   SER  11           HA       SER  11  -0.852   3.482   4.545
   72   1HB   SER  11          1HB       SER  11  -3.266   3.282   4.879
   73   2HB   SER  11          2HB       SER  11  -3.217   1.556   4.473
   74    HG   SER  11           HG       SER  11  -1.540   2.537   6.524
   75    H    LEU  12           H        LEU  12   1.011   2.465   4.980
   76    HA   LEU  12           HA       LEU  12   1.823   0.065   3.595
   77   1HB   LEU  12          1HB       LEU  12   3.015   1.433   6.030
   78   2HB   LEU  12          2HB       LEU  12   3.756   0.131   5.091
   79    HG   LEU  12           HG       LEU  12   3.127   2.953   4.071
   80   1HD1  LEU  12          1HD1      LEU  12   5.608   1.412   4.898
   81   2HD1  LEU  12          2HD1      LEU  12   5.715   2.777   3.813
   82   3HD1  LEU  12          3HD1      LEU  12   5.048   3.022   5.450
   83   1HD2  LEU  12          1HD2      LEU  12   2.972   1.211   2.225
   84   2HD2  LEU  12          2HD2      LEU  12   4.313   2.338   2.034
   85   3HD2  LEU  12          3HD2      LEU  12   4.630   0.728   2.667
   86    H    THR  13           H        THR  13   0.521   0.725   6.872
   87    HA   THR  13           HA       THR  13   1.087  -1.792   7.936
   88    HB   THR  13           HB       THR  13  -1.422  -0.156   8.479
   89    HG1  THR  13           HG1      THR  13   1.294   0.279   9.023
   90   1HG2  THR  13          1HG2      THR  13  -1.094  -2.413   9.623
   91   2HG2  THR  13          2HG2      THR  13   0.326  -1.747  10.424
   92   3HG2  THR  13          3HG2      THR  13  -1.295  -1.059  10.710
   93    H    LEU  14           H        LEU  14  -1.814  -0.886   5.948
   94    HA   LEU  14           HA       LEU  14  -3.003  -3.385   6.252
   95   1HB   LEU  14          1HB       LEU  14  -3.840  -0.965   5.448
   96   2HB   LEU  14          2HB       LEU  14  -3.428  -1.589   3.862
   97    HG   LEU  14           HG       LEU  14  -4.676  -3.693   4.720
   98   1HD1  LEU  14          1HD1      LEU  14  -5.057  -2.811   6.981
   99   2HD1  LEU  14          2HD1      LEU  14  -5.982  -1.458   6.289
  100   3HD1  LEU  14          3HD1      LEU  14  -6.595  -3.125   6.153
  101   1HD2  LEU  14          1HD2      LEU  14  -6.076  -1.154   3.760
  102   2HD2  LEU  14          2HD2      LEU  14  -5.437  -2.467   2.744
  103   3HD2  LEU  14          3HD2      LEU  14  -6.846  -2.757   3.772
  104    H    CYS  15           H        CYS  15  -0.280  -2.393   4.267
  105    HA   CYS  15           HA       CYS  15  -0.535  -4.298   2.141
  106   1HB   CYS  15          1HB       CYS  15   2.010  -3.211   3.446
  107   2HB   CYS  15          2HB       CYS  15   1.939  -4.181   2.010
  108    H    GLN  16           H        GLN  16   0.405  -4.587   5.514
  109    HA   GLN  16           HA       GLN  16   1.899  -6.976   5.462
  110   1HB   GLN  16          1HB       GLN  16  -0.110  -5.980   7.464
  111   2HB   GLN  16          2HB       GLN  16   1.095  -7.213   7.805
  112   1HG   GLN  16          1HG       GLN  16   2.034  -4.476   6.815
  113   2HG   GLN  16          2HG       GLN  16   1.553  -4.691   8.494
  114   2HE2  GLN  16          2HE2      GLN  16   2.563  -6.476   9.707
  115   1HE2  GLN  16          1HE2      GLN  16   4.243  -6.900   9.343
  116    H    ASP  17           H        ASP  17  -1.611  -6.492   5.053
  117    HA   ASP  17           HA       ASP  17  -2.297  -9.288   5.560
  118   1HB   ASP  17          1HB       ASP  17  -3.697  -6.972   4.121
  119   2HB   ASP  17          2HB       ASP  17  -4.320  -8.609   4.139
  120    H    CYS  18           H        CYS  18  -1.170  -7.345   2.811
  121    HA   CYS  18           HA       CYS  18  -2.282  -9.148   0.840
  122   1HB   CYS  18          1HB       CYS  18  -1.898  -6.755   0.292
  123   2HB   CYS  18          2HB       CYS  18  -0.153  -7.034   0.435
  124    H    GLU  19           H        GLU  19  -1.251 -10.824  -0.113
  125    HA   GLU  19           HA       GLU  19   0.810 -12.377   0.445
  126   1HB   GLU  19          1HB       GLU  19  -0.541 -12.819  -1.395
  127   2HB   GLU  19          2HB       GLU  19  -0.174 -11.261  -2.138
  128   1HG   GLU  19          1HG       GLU  19   0.831 -12.886  -3.471
  129   2HG   GLU  19          2HG       GLU  19   2.144 -12.099  -2.633
  130    H    ASN  20           H        ASN  20   1.402  -9.589  -1.844
  131    HA   ASN  20           HA       ASN  20   4.268  -9.861  -1.232
  132   1HB   ASN  20          1HB       ASN  20   4.590  -8.706  -3.250
  133   2HB   ASN  20          2HB       ASN  20   3.752 -10.222  -3.456
  134   2HD2  ASN  20          2HD2      ASN  20   2.660  -9.936  -5.332
  135   1HD2  ASN  20          1HD2      ASN  20   1.576  -8.603  -5.695
  136    H    THR  21           H        THR  21   3.308  -8.869   0.903
  137    HA   THR  21           HA       THR  21   2.713  -6.375   1.435
  138    HB   THR  21           HB       THR  21   4.931  -7.873   2.750
  139    HG1  THR  21           HG1      THR  21   2.122  -8.038   2.798
  140   1HG2  THR  21          1HG2      THR  21   3.136  -5.670   3.840
  141   2HG2  THR  21          2HG2      THR  21   4.123  -6.764   4.821
  142   3HG2  THR  21          3HG2      THR  21   4.900  -5.641   3.702
  143    HA   PRO  22           HA       PRO  22   6.899  -4.195   0.843
  144   1HB   PRO  22          1HB       PRO  22   8.920  -5.350  -0.672
  145   2HB   PRO  22          2HB       PRO  22   8.750  -5.599   1.088
  146   1HG   PRO  22          1HG       PRO  22   7.690  -7.400  -1.113
  147   2HG   PRO  22          2HG       PRO  22   8.695  -7.856   0.290
  148   1HD   PRO  22          1HD       PRO  22   6.071  -8.182   0.439
  149   2HD   PRO  22          2HD       PRO  22   6.936  -7.447   1.821
  150    H    ILE  23           H        ILE  23   5.663  -6.152  -1.880
  151    HA   ILE  23           HA       ILE  23   6.332  -4.192  -3.929
  152    HB   ILE  23           HB       ILE  23   4.537  -6.540  -3.701
  153   1HG1  ILE  23          1HG1      ILE  23   7.037  -6.574  -4.303
  154   2HG1  ILE  23          2HG1      ILE  23   5.878  -7.492  -5.249
  155   1HG2  ILE  23          1HG2      ILE  23   4.311  -4.507  -5.917
  156   2HG2  ILE  23          2HG2      ILE  23   3.741  -6.196  -6.025
  157   3HG2  ILE  23          3HG2      ILE  23   3.024  -5.105  -4.847
  158   1HD1  ILE  23          1HD1      ILE  23   6.955  -4.782  -6.085
  159   2HD1  ILE  23          2HD1      ILE  23   7.495  -6.361  -6.705
  160   3HD1  ILE  23          3HD1      ILE  23   5.862  -5.816  -7.028
  161    H    CYS  24           H        CYS  24   3.591  -4.929  -1.754
  162    HA   CYS  24           HA       CYS  24   1.883  -2.821  -2.749
  163   1HB   CYS  24          1HB       CYS  24   0.812  -4.461  -1.602
  164   2HB   CYS  24          2HB       CYS  24   1.874  -4.448  -0.209
  165    H    GLU  25           H        GLU  25   4.229  -2.980  -0.033
  166    HA   GLU  25           HA       GLU  25   3.905  -0.397   0.910
  167   1HB   GLU  25          1HB       GLU  25   6.271  -2.268   0.716
  168   2HB   GLU  25          2HB       GLU  25   6.460  -0.806   1.564
  169   1HG   GLU  25          1HG       GLU  25   4.487  -1.436   3.063
  170   2HG   GLU  25          2HG       GLU  25   4.501  -3.012   2.294
  171    H    LEU  26           H        LEU  26   5.926  -1.573  -1.755
  172    HA   LEU  26           HA       LEU  26   7.145   0.925  -2.400
  173   1HB   LEU  26          1HB       LEU  26   7.846  -1.416  -3.099
  174   2HB   LEU  26          2HB       LEU  26   6.524  -1.457  -4.242
  175    HG   LEU  26           HG       LEU  26   8.486   0.838  -4.381
  176   1HD1  LEU  26          1HD1      LEU  26   8.960  -1.969  -5.452
  177   2HD1  LEU  26          2HD1      LEU  26   9.934  -0.533  -5.847
  178   3HD1  LEU  26          3HD1      LEU  26   9.896  -1.144  -4.183
  179   1HD2  LEU  26          1HD2      LEU  26   6.903  -0.766  -6.460
  180   2HD2  LEU  26          2HD2      LEU  26   6.546   0.891  -5.932
  181   3HD2  LEU  26          3HD2      LEU  26   8.015   0.552  -6.848
  182    H    ALA  27           H        ALA  27   4.301  -0.736  -3.789
  183    HA   ALA  27           HA       ALA  27   3.562   1.258  -5.654
  184   1HB   ALA  27          1HB       ALA  27   2.689  -1.027  -5.706
  185   2HB   ALA  27          2HB       ALA  27   1.353   0.138  -5.606
  186   3HB   ALA  27          3HB       ALA  27   1.853  -0.771  -4.160
  187    H    VAL  28           H        VAL  28   2.696   0.844  -2.231
  188    HA   VAL  28           HA       VAL  28   0.821   2.934  -1.990
  189    HB   VAL  28           HB       VAL  28   2.601   1.488  -0.089
  190   1HG1  VAL  28          1HG1      VAL  28   0.868   3.896   0.522
  191   2HG1  VAL  28          2HG1      VAL  28   1.201   2.663   1.755
  192   3HG1  VAL  28          3HG1      VAL  28   2.546   3.528   1.012
  193   1HG2  VAL  28          1HG2      VAL  28   0.493   0.400  -0.978
  194   2HG2  VAL  28          2HG2      VAL  28   0.520   0.607   0.786
  195   3HG2  VAL  28          3HG2      VAL  28  -0.414   1.710  -0.209
  196    H    LYS  29           H        LYS  29   4.440   2.969  -1.252
  197    HA   LYS  29           HA       LYS  29   4.574   5.754  -1.019
  198   1HB   LYS  29          1HB       LYS  29   6.431   3.581  -1.254
  199   2HB   LYS  29          2HB       LYS  29   6.881   4.656  -2.544
  200   1HG   LYS  29          1HG       LYS  29   6.556   6.457  -0.450
  201   2HG   LYS  29          2HG       LYS  29   7.096   5.001   0.344
  202   1HD   LYS  29          1HD       LYS  29   8.866   5.124  -1.837
  203   2HD   LYS  29          2HD       LYS  29   8.606   6.819  -1.427
  204   1HE   LYS  29          1HE       LYS  29  10.442   5.990  -0.083
  205   2HE   LYS  29          2HE       LYS  29   9.044   6.155   1.006
  206   1HZ   LYS  29          1HZ       LYS  29   8.687   3.688   0.647
  207   2HZ   LYS  29          2HZ       LYS  29  10.011   3.705  -0.292
  208   3HZ   LYS  29          3HZ       LYS  29  10.151   4.004   1.293
  209    H    GLY  30           H        GLY  30   4.549   3.806  -3.991
  210   1HA   GLY  30          1HA       GLY  30   4.126   4.388  -6.168
  211   2HA   GLY  30          2HA       GLY  30   5.060   5.864  -5.881
  212    H    SER  31           H        SER  31   2.093   4.884  -4.187
  213    HA   SER  31           HA       SER  31   0.352   6.488  -5.866
  214   1HB   SER  31          1HB       SER  31  -0.176   4.934  -3.302
  215   2HB   SER  31          2HB       SER  31  -1.398   5.649  -4.361
  216    HG   SER  31           HG       SER  31   0.550   3.683  -5.091
  217    H    CYS  32           H        CYS  32   1.783   6.897  -2.569
  218    HA   CYS  32           HA       CYS  32   0.524   9.599  -2.480
  219   1HB   CYS  32          1HB       CYS  32   0.304   7.449  -0.380
  220   2HB   CYS  32          2HB       CYS  32  -0.118   9.118  -0.067
  221    HA   PRO  33           HA       PRO  33   4.473  10.650  -1.212
  222   1HB   PRO  33          1HB       PRO  33   4.122  12.874   0.397
  223   2HB   PRO  33          2HB       PRO  33   3.858  12.855  -1.371
  224   1HG   PRO  33          1HG       PRO  33   1.769  12.479   0.787
  225   2HG   PRO  33          2HG       PRO  33   1.712  13.608  -0.600
  226   1HD   PRO  33          1HD       PRO  33   0.482  11.233  -0.745
  227   2HD   PRO  33          2HD       PRO  33   1.425  11.814  -2.150
  228    HA   PRO  34           HA       PRO  34   4.899   8.892   2.987
  229   1HB   PRO  34          1HB       PRO  34   7.622   8.560   3.027
  230   2HB   PRO  34          2HB       PRO  34   6.533   7.482   2.125
  231   1HG   PRO  34          1HG       PRO  34   8.106   9.818   1.055
  232   2HG   PRO  34          2HG       PRO  34   7.998   8.182   0.376
  233   1HD   PRO  34          1HD       PRO  34   6.491  10.312  -0.467
  234   2HD   PRO  34          2HD       PRO  34   5.866   8.645  -0.569
  235    HA   PRO  35           HA       PRO  35   5.713   8.963   5.154
  236   1HB   PRO  35          1HB       PRO  35   4.986  10.250   7.484
  237   2HB   PRO  35          2HB       PRO  35   6.679   9.973   7.027
  238   1HG   PRO  35          1HG       PRO  35   5.071  12.485   6.687
  239   2HG   PRO  35          2HG       PRO  35   6.752  12.311   7.256
  240   1HD   PRO  35          1HD       PRO  35   6.025  12.999   4.676
  241   2HD   PRO  35          2HD       PRO  35   7.530  12.110   5.035
  242    H    TRP  36           H        TRP  36   3.735   8.027   5.438
  243    HA   TRP  36           HA       TRP  36   1.306   9.317   4.443
  244   1HB   TRP  36          1HB       TRP  36   1.725   6.526   5.584
  245   2HB   TRP  36          2HB       TRP  36   0.387   7.077   4.582
  246    HD1  TRP  36           HD1      TRP  36   0.623   6.537   2.056
  247    HE1  TRP  36           HE1      TRP  36   2.455   5.761   0.511
  248    HE3  TRP  36           HE3      TRP  36   4.530   6.337   5.416
  249    HZ2  TRP  36           HZ2      TRP  36   5.050   4.539   0.866
  250    HZ3  TRP  36           HZ3      TRP  36   6.680   5.438   4.737
  251    HH2  TRP  36           HH2      TRP  36   6.964   4.463   2.493
  252    H    SER  37           H        SER  37   2.089  10.719   6.588
  253    HA   SER  37           HA       SER  37   1.922  11.281   8.748
  254   1HB   SER  37          1HB       SER  37  -0.345   9.378   9.213
  255   2HB   SER  37          2HB       SER  37   0.063  10.935   9.999
  256    HG   SER  37           HG       SER  37  -0.710  10.741   7.288

  No H/Q in entry =         256
  Start of MODEL    4
    1    H1   ASP   1           H1       ASP   1  -8.457  -5.664  -5.339
    2    H2   ASP   1           H2       ASP   1  -7.047  -6.437  -5.600
    3    H3   ASP   1           H3       ASP   1  -8.501  -7.204  -5.944
    4    HA   ASP   1           HA       ASP   1  -9.086  -7.269  -3.683
    5   1HB   ASP   1          1HB       ASP   1  -7.686  -9.044  -2.969
    6   2HB   ASP   1          2HB       ASP   1  -7.742  -9.094  -4.737
    7    H    ILE   2           H        ILE   2  -7.479  -7.621  -1.532
    8    HA   ILE   2           HA       ILE   2  -7.446  -5.135  -0.333
    9    HB   ILE   2           HB       ILE   2  -7.432  -7.350   0.749
   10   1HG1  ILE   2          1HG1      ILE   2  -6.017  -6.984   2.632
   11   2HG1  ILE   2          2HG1      ILE   2  -5.122  -5.695   1.829
   12   1HG2  ILE   2          1HG2      ILE   2  -5.656  -8.481  -0.614
   13   2HG2  ILE   2          2HG2      ILE   2  -4.434  -7.497   0.229
   14   3HG2  ILE   2          3HG2      ILE   2  -5.422  -8.642   1.131
   15   1HD1  ILE   2          1HD1      ILE   2  -8.160  -5.598   2.149
   16   2HD1  ILE   2          2HD1      ILE   2  -7.108  -5.179   3.497
   17   3HD1  ILE   2          3HD1      ILE   2  -7.010  -4.238   2.006
   18    H    CYS   3           H        CYS   3  -4.851  -6.526  -2.288
   19    HA   CYS   3           HA       CYS   3  -2.787  -4.761  -1.285
   20   1HB   CYS   3          1HB       CYS   3  -2.838  -6.861  -3.096
   21   2HB   CYS   3          2HB       CYS   3  -2.786  -5.489  -4.203
   22    H    ASP   4           H        ASP   4  -5.248  -4.496  -3.815
   23    HA   ASP   4           HA       ASP   4  -4.511  -1.931  -4.896
   24   1HB   ASP   4          1HB       ASP   4  -6.100  -3.678  -5.879
   25   2HB   ASP   4          2HB       ASP   4  -7.293  -3.150  -4.675
   26    H    ILE   5           H        ILE   5  -6.707  -3.081  -2.367
   27    HA   ILE   5           HA       ILE   5  -7.799  -0.624  -1.566
   28    HB   ILE   5           HB       ILE   5  -7.212  -3.031   0.190
   29   1HG1  ILE   5          1HG1      ILE   5  -9.582  -2.228  -1.483
   30   2HG1  ILE   5          2HG1      ILE   5  -8.557  -3.597  -1.780
   31   1HG2  ILE   5          1HG2      ILE   5  -7.666  -1.034   1.534
   32   2HG2  ILE   5          2HG2      ILE   5  -9.194  -0.802   0.642
   33   3HG2  ILE   5          3HG2      ILE   5  -8.938  -2.228   1.679
   34   1HD1  ILE   5          1HD1      ILE   5  -9.386  -4.546   0.461
   35   2HD1  ILE   5          2HD1      ILE   5 -10.547  -3.212   0.486
   36   3HD1  ILE   5          3HD1      ILE   5 -10.600  -4.399  -0.827
   37    H    ALA   6           H        ALA   6  -5.055  -2.356  -0.003
   38    HA   ALA   6           HA       ALA   6  -4.283  -0.376   1.821
   39   1HB   ALA   6          1HB       ALA   6  -3.420  -2.747   1.744
   40   2HB   ALA   6          2HB       ALA   6  -2.076  -1.585   1.757
   41   3HB   ALA   6          3HB       ALA   6  -2.556  -2.385   0.248
   42    H    ILE   7           H        ILE   7  -3.179  -0.886  -1.550
   43    HA   ILE   7           HA       ILE   7  -1.408   1.296  -1.759
   44    HB   ILE   7           HB       ILE   7  -3.087  -0.150  -3.804
   45   1HG1  ILE   7          1HG1      ILE   7  -0.086  -0.198  -3.282
   46   2HG1  ILE   7          2HG1      ILE   7  -1.156  -1.296  -2.444
   47   1HG2  ILE   7          1HG2      ILE   7  -2.508   2.140  -4.648
   48   2HG2  ILE   7          2HG2      ILE   7  -0.814   1.812  -4.214
   49   3HG2  ILE   7          3HG2      ILE   7  -1.611   0.893  -5.507
   50   1HD1  ILE   7          1HD1      ILE   7  -1.982  -2.180  -4.632
   51   2HD1  ILE   7          2HD1      ILE   7  -0.791  -1.172  -5.464
   52   3HD1  ILE   7          3HD1      ILE   7  -0.252  -2.444  -4.353
   53    H    ALA   8           H        ALA   8  -4.936   1.163  -2.387
   54    HA   ALA   8           HA       ALA   8  -5.155   3.907  -3.218
   55   1HB   ALA   8          1HB       ALA   8  -6.765   2.181  -3.900
   56   2HB   ALA   8          2HB       ALA   8  -7.183   1.840  -2.211
   57   3HB   ALA   8          3HB       ALA   8  -7.607   3.402  -2.910
   58    H    GLN   9           H        GLN   9  -5.244   2.244  -0.166
   59    HA   GLN   9           HA       GLN   9  -6.520   4.433   1.316
   60   1HB   GLN   9          1HB       GLN   9  -5.527   1.618   1.948
   61   2HB   GLN   9          2HB       GLN   9  -5.916   2.727   3.236
   62   1HG   GLN   9          1HG       GLN   9  -8.142   3.161   2.041
   63   2HG   GLN   9          2HG       GLN   9  -7.767   1.804   0.983
   64   2HE2  GLN   9          2HE2      GLN   9  -9.949   1.178   1.975
   65   1HE2  GLN   9          1HE2      GLN   9  -9.858   0.166   3.407
   66    H    CYS  10           H        CYS  10  -3.279   3.465   0.468
   67    HA   CYS  10           HA       CYS  10  -1.306   4.091   1.159
   68   1HB   CYS  10          1HB       CYS  10  -1.675   6.567   2.577
   69   2HB   CYS  10          2HB       CYS  10  -0.953   6.125   1.023
   70    H    SER  11           H        SER  11  -1.530   2.260   2.480
   71    HA   SER  11           HA       SER  11  -0.855   2.897   5.277
   72   1HB   SER  11          1HB       SER  11  -3.260   2.383   5.257
   73   2HB   SER  11          2HB       SER  11  -2.944   0.838   4.454
   74    HG   SER  11           HG       SER  11  -1.876   1.631   6.992
   75    H    LEU  12           H        LEU  12   1.241   2.176   5.196
   76    HA   LEU  12           HA       LEU  12   2.072  -0.188   3.697
   77   1HB   LEU  12          1HB       LEU  12   3.348   1.125   6.136
   78   2HB   LEU  12          2HB       LEU  12   4.071  -0.083   5.085
   79    HG   LEU  12           HG       LEU  12   3.498   2.848   4.493
   80   1HD1  LEU  12          1HD1      LEU  12   5.911   0.994   4.280
   81   2HD1  LEU  12          2HD1      LEU  12   5.934   2.633   3.710
   82   3HD1  LEU  12          3HD1      LEU  12   5.693   2.331   5.445
   83   1HD2  LEU  12          1HD2      LEU  12   2.738   1.500   2.475
   84   2HD2  LEU  12          2HD2      LEU  12   4.123   2.556   2.178
   85   3HD2  LEU  12          3HD2      LEU  12   4.391   0.835   2.436
   86    H    THR  13           H        THR  13   0.880   0.461   7.055
   87    HA   THR  13           HA       THR  13   1.303  -2.131   7.983
   88    HB   THR  13           HB       THR  13  -1.139  -0.481   8.643
   89    HG1  THR  13           HG1      THR  13   1.572   0.053   9.341
   90   1HG2  THR  13          1HG2      THR  13  -0.784  -2.610   9.888
   91   2HG2  THR  13          2HG2      THR  13   0.789  -2.015  10.447
   92   3HG2  THR  13          3HG2      THR  13  -0.706  -1.203  10.958
   93    H    LEU  14           H        LEU  14  -1.569  -0.930   6.110
   94    HA   LEU  14           HA       LEU  14  -2.869  -3.467   6.463
   95   1HB   LEU  14          1HB       LEU  14  -3.737  -1.047   5.633
   96   2HB   LEU  14          2HB       LEU  14  -3.618  -1.847   4.067
   97    HG   LEU  14           HG       LEU  14  -5.179  -2.581   6.595
   98   1HD1  LEU  14          1HD1      LEU  14  -6.066  -1.638   3.829
   99   2HD1  LEU  14          2HD1      LEU  14  -7.157  -2.127   5.140
  100   3HD1  LEU  14          3HD1      LEU  14  -6.119  -0.708   5.343
  101   1HD2  LEU  14          1HD2      LEU  14  -5.051  -4.024   3.950
  102   2HD2  LEU  14          2HD2      LEU  14  -4.506  -4.647   5.537
  103   3HD2  LEU  14          3HD2      LEU  14  -6.222  -4.334   5.287
  104    H    CYS  15           H        CYS  15  -0.263  -2.426   4.364
  105    HA   CYS  15           HA       CYS  15  -0.706  -4.236   2.222
  106   1HB   CYS  15          1HB       CYS  15   1.861  -3.009   3.272
  107   2HB   CYS  15          2HB       CYS  15   1.850  -4.208   2.027
  108    H    GLN  16           H        GLN  16   0.487  -4.924   5.575
  109    HA   GLN  16           HA       GLN  16   1.494  -7.453   5.027
  110   1HB   GLN  16          1HB       GLN  16  -0.007  -6.257   7.371
  111   2HB   GLN  16          2HB       GLN  16   0.518  -7.935   7.383
  112   1HG   GLN  16          1HG       GLN  16   2.368  -7.042   8.257
  113   2HG   GLN  16          2HG       GLN  16   2.834  -6.864   6.568
  114   2HE2  GLN  16          2HE2      GLN  16   1.802  -5.221   9.481
  115   1HE2  GLN  16          1HE2      GLN  16   2.210  -3.600   8.928
  116    H    ASP  17           H        ASP  17  -1.918  -6.601   4.686
  117    HA   ASP  17           HA       ASP  17  -2.758  -9.409   4.795
  118   1HB   ASP  17          1HB       ASP  17  -4.074  -6.868   3.820
  119   2HB   ASP  17          2HB       ASP  17  -4.752  -8.465   3.500
  120    H    CYS  18           H        CYS  18  -1.325  -7.251   2.430
  121    HA   CYS  18           HA       CYS  18  -2.036  -8.936   0.141
  122   1HB   CYS  18          1HB       CYS  18  -1.942  -6.593  -0.245
  123   2HB   CYS  18          2HB       CYS  18  -0.261  -6.477   0.306
  124    H    GLU  19           H        GLU  19  -0.848 -10.637  -0.411
  125    HA   GLU  19           HA       GLU  19   0.963 -12.079   0.847
  126   1HB   GLU  19          1HB       GLU  19   0.096 -12.978  -1.074
  127   2HB   GLU  19          2HB       GLU  19   0.497 -11.571  -2.050
  128   1HG   GLU  19          1HG       GLU  19   1.763 -13.552  -2.716
  129   2HG   GLU  19          2HG       GLU  19   2.839 -12.255  -2.214
  130    H    ASN  20           H        ASN  20   2.063  -9.829  -1.662
  131    HA   ASN  20           HA       ASN  20   4.832  -9.915  -0.611
  132   1HB   ASN  20          1HB       ASN  20   5.270  -8.748  -2.824
  133   2HB   ASN  20          2HB       ASN  20   4.805 -10.445  -2.854
  134   2HD2  ASN  20          2HD2      ASN  20   3.250  -7.167  -3.044
  135   1HD2  ASN  20          1HD2      ASN  20   2.194  -7.667  -4.388
  136    H    THR  21           H        THR  21   3.780  -8.761   1.245
  137    HA   THR  21           HA       THR  21   2.986  -6.255   1.491
  138    HB   THR  21           HB       THR  21   5.149  -7.491   3.123
  139    HG1  THR  21           HG1      THR  21   2.391  -7.948   2.812
  140   1HG2  THR  21          1HG2      THR  21   4.677  -5.098   3.719
  141   2HG2  THR  21          2HG2      THR  21   2.993  -5.541   4.020
  142   3HG2  THR  21          3HG2      THR  21   4.295  -6.250   4.992
  143    HA   PRO  22           HA       PRO  22   7.174  -3.980   1.079
  144   1HB   PRO  22          1HB       PRO  22   9.183  -5.204  -0.490
  145   2HB   PRO  22          2HB       PRO  22   9.122  -5.235   1.286
  146   1HG   PRO  22          1HG       PRO  22   8.098  -7.349  -0.608
  147   2HG   PRO  22          2HG       PRO  22   9.109  -7.570   0.850
  148   1HD   PRO  22          1HD       PRO  22   6.483  -7.996   0.982
  149   2HD   PRO  22          2HD       PRO  22   7.267  -7.049   2.281
  150    H    ILE  23           H        ILE  23   6.325  -6.078  -1.775
  151    HA   ILE  23           HA       ILE  23   6.791  -3.947  -3.647
  152    HB   ILE  23           HB       ILE  23   5.244  -6.495  -3.736
  153   1HG1  ILE  23          1HG1      ILE  23   7.005  -7.041  -5.416
  154   2HG1  ILE  23          2HG1      ILE  23   7.808  -5.509  -5.042
  155   1HG2  ILE  23          1HG2      ILE  23   5.576  -4.465  -5.970
  156   2HG2  ILE  23          2HG2      ILE  23   5.034  -6.138  -6.200
  157   3HG2  ILE  23          3HG2      ILE  23   4.043  -5.025  -5.264
  158   1HD1  ILE  23          1HD1      ILE  23   7.246  -7.610  -2.920
  159   2HD1  ILE  23          2HD1      ILE  23   8.693  -7.669  -3.922
  160   3HD1  ILE  23          3HD1      ILE  23   8.427  -6.274  -2.874
  161    H    CYS  24           H        CYS  24   4.056  -4.984  -1.639
  162    HA   CYS  24           HA       CYS  24   2.121  -3.145  -2.762
  163   1HB   CYS  24          1HB       CYS  24   1.401  -5.064  -1.567
  164   2HB   CYS  24          2HB       CYS  24   2.224  -4.598  -0.108
  165    H    GLU  25           H        GLU  25   4.528  -2.971  -0.114
  166    HA   GLU  25           HA       GLU  25   3.712  -0.503   0.959
  167   1HB   GLU  25          1HB       GLU  25   6.261  -2.148   0.905
  168   2HB   GLU  25          2HB       GLU  25   6.341  -0.643   1.684
  169   1HG   GLU  25          1HG       GLU  25   4.429  -1.359   3.192
  170   2HG   GLU  25          2HG       GLU  25   4.539  -2.957   2.471
  171    H    LEU  26           H        LEU  26   6.129  -1.414  -1.475
  172    HA   LEU  26           HA       LEU  26   7.045   1.152  -2.288
  173   1HB   LEU  26          1HB       LEU  26   8.057  -1.033  -2.850
  174   2HB   LEU  26          2HB       LEU  26   6.698  -1.369  -3.895
  175    HG   LEU  26           HG       LEU  26   7.214   0.413  -5.397
  176   1HD1  LEU  26          1HD1      LEU  26   9.305   1.325  -3.381
  177   2HD1  LEU  26          2HD1      LEU  26   9.248   1.877  -5.069
  178   3HD1  LEU  26          3HD1      LEU  26   7.923   2.279  -3.982
  179   1HD2  LEU  26          1HD2      LEU  26   8.582  -1.723  -5.299
  180   2HD2  LEU  26          2HD2      LEU  26   9.344  -0.349  -6.148
  181   3HD2  LEU  26          3HD2      LEU  26   9.842  -0.777  -4.477
  182    H    ALA  27           H        ALA  27   4.311  -0.879  -3.437
  183    HA   ALA  27           HA       ALA  27   3.455   0.918  -5.447
  184   1HB   ALA  27          1HB       ALA  27   1.867  -1.181  -3.935
  185   2HB   ALA  27          2HB       ALA  27   1.373  -0.379  -5.439
  186   3HB   ALA  27          3HB       ALA  27   2.792  -1.431  -5.426
  187    H    VAL  28           H        VAL  28   2.534   0.679  -1.987
  188    HA   VAL  28           HA       VAL  28   0.590   2.729  -1.933
  189    HB   VAL  28           HB       VAL  28   2.461   1.598   0.087
  190   1HG1  VAL  28          1HG1      VAL  28   0.874   4.170   0.382
  191   2HG1  VAL  28          2HG1      VAL  28   1.286   3.164   1.787
  192   3HG1  VAL  28          3HG1      VAL  28   2.576   3.813   0.775
  193   1HG2  VAL  28          1HG2      VAL  28   0.287   0.484  -0.440
  194   2HG2  VAL  28          2HG2      VAL  28   0.455   0.976   1.250
  195   3HG2  VAL  28          3HG2      VAL  28  -0.536   1.956   0.157
  196    H    LYS  29           H        LYS  29   4.213   3.085  -1.270
  197    HA   LYS  29           HA       LYS  29   4.047   5.846  -1.337
  198   1HB   LYS  29          1HB       LYS  29   6.056   3.921  -1.010
  199   2HB   LYS  29          2HB       LYS  29   6.551   4.671  -2.510
  200   1HG   LYS  29          1HG       LYS  29   5.707   6.607  -0.376
  201   2HG   LYS  29          2HG       LYS  29   7.014   5.572   0.107
  202   1HD   LYS  29          1HD       LYS  29   6.969   7.114  -2.566
  203   2HD   LYS  29          2HD       LYS  29   7.599   7.830  -1.086
  204   1HE   LYS  29          1HE       LYS  29   8.733   5.429  -2.482
  205   2HE   LYS  29          2HE       LYS  29   9.456   7.030  -2.318
  206   1HZ   LYS  29          1HZ       LYS  29   9.443   6.654   0.138
  207   2HZ   LYS  29          2HZ       LYS  29   9.009   5.075  -0.159
  208   3HZ   LYS  29          3HZ       LYS  29  10.427   5.675  -0.679
  209    H    GLY  30           H        GLY  30   4.273   3.647  -4.063
  210   1HA   GLY  30          1HA       GLY  30   3.926   3.984  -6.297
  211   2HA   GLY  30          2HA       GLY  30   4.801   5.519  -6.108
  212    H    SER  31           H        SER  31   1.770   4.472  -4.543
  213    HA   SER  31           HA       SER  31   0.133   5.869  -6.496
  214   1HB   SER  31          1HB       SER  31  -0.247   3.616  -5.209
  215   2HB   SER  31          2HB       SER  31  -0.965   4.629  -3.947
  216    HG   SER  31           HG       SER  31  -1.622   4.306  -6.683
  217    H    CYS  32           H        CYS  32   0.553   6.070  -2.947
  218    HA   CYS  32           HA       CYS  32  -0.589   8.827  -2.962
  219   1HB   CYS  32          1HB       CYS  32  -0.001   6.946  -0.668
  220   2HB   CYS  32          2HB       CYS  32  -0.709   8.551  -0.535
  221    HA   PRO  33           HA       PRO  33   3.809   9.769  -2.356
  222   1HB   PRO  33          1HB       PRO  33   3.637  12.328  -1.338
  223   2HB   PRO  33          2HB       PRO  33   3.391  11.935  -3.066
  224   1HG   PRO  33          1HG       PRO  33   1.260  12.264  -0.937
  225   2HG   PRO  33          2HG       PRO  33   1.328  13.052  -2.539
  226   1HD   PRO  33          1HD       PRO  33  -0.125  10.807  -2.108
  227   2HD   PRO  33          2HD       PRO  33   0.766  10.995  -3.646
  228    HA   PRO  34           HA       PRO  34   3.929   9.077   2.172
  229   1HB   PRO  34          1HB       PRO  34   6.555   9.619   2.698
  230   2HB   PRO  34          2HB       PRO  34   6.119   8.196   1.716
  231   1HG   PRO  34          1HG       PRO  34   6.884  10.958   0.754
  232   2HG   PRO  34          2HG       PRO  34   7.657   9.437   0.291
  233   1HD   PRO  34          1HD       PRO  34   5.654  10.677  -1.167
  234   2HD   PRO  34          2HD       PRO  34   5.711   8.898  -1.121
  235    HA   PRO  35           HA       PRO  35   4.532   9.758   4.369
  236   1HB   PRO  35          1HB       PRO  35   3.552  11.030   6.543
  237   2HB   PRO  35          2HB       PRO  35   5.129  11.509   5.843
  238   1HG   PRO  35          1HG       PRO  35   2.431  12.810   5.405
  239   2HG   PRO  35          2HG       PRO  35   3.980  13.616   5.786
  240   1HD   PRO  35          1HD       PRO  35   2.904  13.266   3.221
  241   2HD   PRO  35          2HD       PRO  35   4.636  13.495   3.531
  242    H    TRP  36           H        TRP  36   2.820   8.621   5.730
  243    HA   TRP  36           HA       TRP  36   0.357   8.501   4.069
  244   1HB   TRP  36          1HB       TRP  36   1.773   6.442   5.751
  245   2HB   TRP  36          2HB       TRP  36   0.295   6.184   4.820
  246    HD1  TRP  36           HD1      TRP  36   0.571   6.864   2.117
  247    HE1  TRP  36           HE1      TRP  36   2.390   6.241   0.474
  248    HE3  TRP  36           HE3      TRP  36   4.293   5.899   5.458
  249    HZ2  TRP  36           HZ2      TRP  36   4.903   4.813   0.704
  250    HZ3  TRP  36           HZ3      TRP  36   6.433   4.957   4.700
  251    HH2  TRP  36           HH2      TRP  36   6.802   4.477   2.293
  252    H    SER  37           H        SER  37  -1.504   9.111   4.868
  253    HA   SER  37           HA       SER  37  -2.002   9.417   7.754
  254   1HB   SER  37          1HB       SER  37  -2.863  11.059   6.081
  255   2HB   SER  37          2HB       SER  37  -3.772   9.752   5.296
  256    HG   SER  37           HG       SER  37  -4.684   9.395   7.454

  No H/Q in entry =         256
  Start of MODEL    5
    1    H1   ASP   1           H1       ASP   1  -9.447  -6.710  -3.776
    2    H2   ASP   1           H2       ASP   1  -8.699  -6.671  -5.220
    3    H3   ASP   1           H3       ASP   1  -9.567  -8.008  -4.754
    4    HA   ASP   1           HA       ASP   1  -8.062  -8.711  -3.216
    5   1HB   ASP   1          1HB       ASP   1  -5.862  -8.756  -4.222
    6   2HB   ASP   1          2HB       ASP   1  -7.085  -8.997  -5.466
    7    H    ILE   2           H        ILE   2  -6.435  -8.289  -1.635
    8    HA   ILE   2           HA       ILE   2  -7.126  -5.770  -0.436
    9    HB   ILE   2           HB       ILE   2  -6.940  -8.021   0.579
   10   1HG1  ILE   2          1HG1      ILE   2  -7.457  -6.629   2.172
   11   2HG1  ILE   2          2HG1      ILE   2  -6.053  -7.517   2.764
   12   1HG2  ILE   2          1HG2      ILE   2  -4.563  -8.491  -0.239
   13   2HG2  ILE   2          2HG2      ILE   2  -4.050  -7.376   1.055
   14   3HG2  ILE   2          3HG2      ILE   2  -4.884  -8.885   1.458
   15   1HD1  ILE   2          1HD1      ILE   2  -4.642  -5.523   2.103
   16   2HD1  ILE   2          2HD1      ILE   2  -6.184  -4.666   1.815
   17   3HD1  ILE   2          3HD1      ILE   2  -5.815  -5.283   3.427
   18    H    CYS   3           H        CYS   3  -4.316  -6.916  -2.277
   19    HA   CYS   3           HA       CYS   3  -2.465  -4.852  -1.437
   20   1HB   CYS   3          1HB       CYS   3  -2.763  -6.668  -3.791
   21   2HB   CYS   3          2HB       CYS   3  -2.025  -5.107  -4.133
   22    H    ASP   4           H        ASP   4  -5.006  -5.026  -3.951
   23    HA   ASP   4           HA       ASP   4  -4.681  -2.359  -4.870
   24   1HB   ASP   4          1HB       ASP   4  -5.875  -4.094  -6.124
   25   2HB   ASP   4          2HB       ASP   4  -7.172  -4.115  -4.918
   26    H    ILE   5           H        ILE   5  -6.794  -3.722  -2.353
   27    HA   ILE   5           HA       ILE   5  -8.073  -1.370  -1.461
   28    HB   ILE   5           HB       ILE   5  -7.081  -3.719   0.152
   29   1HG1  ILE   5          1HG1      ILE   5  -9.723  -3.102  -1.151
   30   2HG1  ILE   5          2HG1      ILE   5  -8.649  -4.388  -1.557
   31   1HG2  ILE   5          1HG2      ILE   5  -7.449  -1.855   1.646
   32   2HG2  ILE   5          2HG2      ILE   5  -9.092  -1.630   0.990
   33   3HG2  ILE   5          3HG2      ILE   5  -8.640  -3.091   1.908
   34   1HD1  ILE   5          1HD1      ILE   5  -9.070  -5.324   0.799
   35   2HD1  ILE   5          2HD1      ILE   5 -10.363  -4.106   0.933
   36   3HD1  ILE   5          3HD1      ILE   5 -10.458  -5.343  -0.310
   37    H    ALA   6           H        ALA   6  -4.999  -2.773  -0.191
   38    HA   ALA   6           HA       ALA   6  -4.428  -0.763   1.665
   39   1HB   ALA   6          1HB       ALA   6  -2.131  -1.645   1.631
   40   2HB   ALA   6          2HB       ALA   6  -3.291  -2.986   1.577
   41   3HB   ALA   6          3HB       ALA   6  -2.448  -2.483   0.101
   42    H    ILE   7           H        ILE   7  -3.590  -0.941  -1.804
   43    HA   ILE   7           HA       ILE   7  -2.070   1.501  -1.826
   44    HB   ILE   7           HB       ILE   7  -3.495  -0.012  -4.016
   45   1HG1  ILE   7          1HG1      ILE   7  -0.507   0.301  -3.466
   46   2HG1  ILE   7          2HG1      ILE   7  -1.438  -0.974  -2.680
   47   1HG2  ILE   7          1HG2      ILE   7  -1.591   2.372  -4.149
   48   2HG2  ILE   7          2HG2      ILE   7  -2.065   1.399  -5.557
   49   3HG2  ILE   7          3HG2      ILE   7  -3.275   2.356  -4.705
   50   1HD1  ILE   7          1HD1      ILE   7  -2.190  -1.828  -4.857
   51   2HD1  ILE   7          2HD1      ILE   7  -1.145  -0.646  -5.681
   52   3HD1  ILE   7          3HD1      ILE   7  -0.428  -1.893  -4.637
   53    H    ALA   8           H        ALA   8  -5.584   0.847  -2.396
   54    HA   ALA   8           HA       ALA   8  -6.297   3.532  -3.038
   55   1HB   ALA   8          1HB       ALA   8  -7.762   1.520  -3.309
   56   2HB   ALA   8          2HB       ALA   8  -7.982   1.461  -1.552
   57   3HB   ALA   8          3HB       ALA   8  -8.557   2.861  -2.462
   58    H    GLN   9           H        GLN   9  -5.891   1.828  -0.008
   59    HA   GLN   9           HA       GLN   9  -6.718   3.955   1.794
   60   1HB   GLN   9          1HB       GLN   9  -5.235   1.338   2.095
   61   2HB   GLN   9          2HB       GLN   9  -5.828   2.247   3.466
   62   1HG   GLN   9          1HG       GLN   9  -7.863   1.638   1.311
   63   2HG   GLN   9          2HG       GLN   9  -7.207   0.266   2.177
   64   2HE2  GLN   9          2HE2      GLN   9  -8.762  -0.356   3.609
   65   1HE2  GLN   9          1HE2      GLN   9  -9.569   0.708   4.730
   66    H    CYS  10           H        CYS  10  -3.883   3.216   0.070
   67    HA   CYS  10           HA       CYS  10  -1.688   3.151   0.463
   68   1HB   CYS  10          1HB       CYS  10  -0.711   5.514   0.402
   69   2HB   CYS  10          2HB       CYS  10  -1.695   4.930  -0.915
   70    H    SER  11           H        SER  11  -2.089   2.167   2.584
   71    HA   SER  11           HA       SER  11  -0.721   3.720   4.751
   72   1HB   SER  11          1HB       SER  11  -3.161   3.599   5.240
   73   2HB   SER  11          2HB       SER  11  -3.065   1.833   5.067
   74    HG   SER  11           HG       SER  11  -1.849   3.501   7.052
   75    H    LEU  12           H        LEU  12   1.162   2.653   5.142
   76    HA   LEU  12           HA       LEU  12   1.785   0.288   3.687
   77   1HB   LEU  12          1HB       LEU  12   3.238   1.604   5.963
   78   2HB   LEU  12          2HB       LEU  12   3.897   0.284   4.995
   79    HG   LEU  12           HG       LEU  12   2.942   2.897   3.743
   80   1HD1  LEU  12          1HD1      LEU  12   5.719   2.059   4.627
   81   2HD1  LEU  12          2HD1      LEU  12   5.330   3.511   3.667
   82   3HD1  LEU  12          3HD1      LEU  12   4.743   3.367   5.341
   83   1HD2  LEU  12          1HD2      LEU  12   3.177   0.927   2.201
   84   2HD2  LEU  12          2HD2      LEU  12   4.324   2.224   1.862
   85   3HD2  LEU  12          3HD2      LEU  12   4.869   0.772   2.721
   86    H    THR  13           H        THR  13   0.707   0.781   7.072
   87    HA   THR  13           HA       THR  13   1.115  -1.836   8.000
   88    HB   THR  13           HB       THR  13  -1.173   0.138   8.428
   89    HG1  THR  13           HG1      THR  13   0.846   0.819   9.120
   90   1HG2  THR  13          1HG2      THR  13  -0.560  -2.428   9.952
   91   2HG2  THR  13          2HG2      THR  13  -1.606  -1.106  10.526
   92   3HG2  THR  13          3HG2      THR  13  -2.058  -2.004   9.089
   93    H    LEU  14           H        LEU  14  -1.617  -0.707   5.873
   94    HA   LEU  14           HA       LEU  14  -2.982  -3.165   6.284
   95   1HB   LEU  14          1HB       LEU  14  -3.999  -0.967   5.987
   96   2HB   LEU  14          2HB       LEU  14  -3.312  -0.863   4.362
   97    HG   LEU  14           HG       LEU  14  -4.547  -2.564   3.524
   98   1HD1  LEU  14          1HD1      LEU  14  -5.567  -2.867   6.357
   99   2HD1  LEU  14          2HD1      LEU  14  -6.401  -3.595   4.953
  100   3HD1  LEU  14          3HD1      LEU  14  -4.752  -4.117   5.369
  101   1HD2  LEU  14          1HD2      LEU  14  -5.560  -0.299   3.704
  102   2HD2  LEU  14          2HD2      LEU  14  -6.831  -1.543   3.802
  103   3HD2  LEU  14          3HD2      LEU  14  -6.271  -0.723   5.269
  104    H    CYS  15           H        CYS  15  -0.285  -2.214   4.296
  105    HA   CYS  15           HA       CYS  15  -0.744  -4.032   2.085
  106   1HB   CYS  15          1HB       CYS  15   1.755  -2.720   3.204
  107   2HB   CYS  15          2HB       CYS  15   1.864  -4.030   2.052
  108    H    GLN  16           H        GLN  16   0.333  -4.457   5.440
  109    HA   GLN  16           HA       GLN  16   1.640  -6.969   5.008
  110   1HB   GLN  16          1HB       GLN  16   0.289  -5.959   7.542
  111   2HB   GLN  16          2HB       GLN  16   1.394  -7.330   7.382
  112   1HG   GLN  16          1HG       GLN  16   3.072  -5.656   6.336
  113   2HG   GLN  16          2HG       GLN  16   2.016  -4.381   6.958
  114   2HE2  GLN  16          2HE2      GLN  16   3.255  -3.522   8.712
  115   1HE2  GLN  16          1HE2      GLN  16   3.882  -4.574   9.959
  116    H    ASP  17           H        ASP  17  -1.765  -6.193   4.956
  117    HA   ASP  17           HA       ASP  17  -2.663  -8.902   5.546
  118   1HB   ASP  17          1HB       ASP  17  -3.948  -6.534   4.137
  119   2HB   ASP  17          2HB       ASP  17  -4.731  -8.084   4.388
  120    H    CYS  18           H        CYS  18  -1.366  -7.210   2.719
  121    HA   CYS  18           HA       CYS  18  -2.609  -9.016   0.799
  122   1HB   CYS  18          1HB       CYS  18  -2.082  -6.676   0.131
  123   2HB   CYS  18          2HB       CYS  18  -0.366  -6.981   0.425
  124    H    GLU  19           H        GLU  19  -1.434 -10.552  -0.490
  125    HA   GLU  19           HA       GLU  19   0.434 -12.290   0.201
  126   1HB   GLU  19          1HB       GLU  19  -0.566 -12.232  -2.005
  127   2HB   GLU  19          2HB       GLU  19   0.266 -10.735  -2.341
  128   1HG   GLU  19          1HG       GLU  19   2.482 -12.060  -2.196
  129   2HG   GLU  19          2HG       GLU  19   1.471 -13.509  -2.138
  130    H    ASN  20           H        ASN  20   1.399  -9.243  -1.382
  131    HA   ASN  20           HA       ASN  20   4.183  -9.883  -0.665
  132   1HB   ASN  20          1HB       ASN  20   4.669  -8.621  -2.701
  133   2HB   ASN  20          2HB       ASN  20   3.806 -10.120  -2.942
  134   2HD2  ASN  20          2HD2      ASN  20   2.229 -10.039  -4.434
  135   1HD2  ASN  20          1HD2      ASN  20   1.549  -8.530  -5.065
  136    H    THR  21           H        THR  21   4.426  -8.801   1.320
  137    HA   THR  21           HA       THR  21   3.636  -6.231   1.829
  138    HB   THR  21           HB       THR  21   6.300  -6.788   2.975
  139    HG1  THR  21           HG1      THR  21   4.105  -8.599   3.254
  140   1HG2  THR  21          1HG2      THR  21   4.657  -5.125   3.828
  141   2HG2  THR  21          2HG2      THR  21   3.536  -6.452   4.160
  142   3HG2  THR  21          3HG2      THR  21   5.089  -6.357   5.028
  143    HA   PRO  22           HA       PRO  22   7.477  -4.133   0.361
  144   1HB   PRO  22          1HB       PRO  22   9.328  -5.307  -1.384
  145   2HB   PRO  22          2HB       PRO  22   9.447  -5.395   0.392
  146   1HG   PRO  22          1HG       PRO  22   8.308  -7.470  -1.494
  147   2HG   PRO  22          2HG       PRO  22   9.399  -7.722  -0.107
  148   1HD   PRO  22          1HD       PRO  22   6.728  -8.140   0.078
  149   2HD   PRO  22          2HD       PRO  22   7.665  -7.455   1.434
  150    H    ILE  23           H        ILE  23   6.383  -6.330  -2.301
  151    HA   ILE  23           HA       ILE  23   6.532  -4.391  -4.351
  152    HB   ILE  23           HB       ILE  23   4.806  -6.756  -3.824
  153   1HG1  ILE  23          1HG1      ILE  23   5.923  -7.535  -5.944
  154   2HG1  ILE  23          2HG1      ILE  23   6.989  -6.132  -5.826
  155   1HG2  ILE  23          1HG2      ILE  23   4.572  -5.028  -6.307
  156   2HG2  ILE  23          2HG2      ILE  23   3.845  -6.628  -6.089
  157   3HG2  ILE  23          3HG2      ILE  23   3.301  -5.290  -5.097
  158   1HD1  ILE  23          1HD1      ILE  23   6.690  -8.269  -3.670
  159   2HD1  ILE  23          2HD1      ILE  23   7.897  -8.324  -4.957
  160   3HD1  ILE  23          3HD1      ILE  23   7.947  -7.007  -3.771
  161    H    CYS  24           H        CYS  24   4.010  -5.108  -1.924
  162    HA   CYS  24           HA       CYS  24   2.121  -3.176  -2.873
  163   1HB   CYS  24          1HB       CYS  24   1.510  -5.126  -1.578
  164   2HB   CYS  24          2HB       CYS  24   2.381  -4.538  -0.171
  165    H    GLU  25           H        GLU  25   4.653  -3.111  -0.321
  166    HA   GLU  25           HA       GLU  25   4.119  -0.599   0.825
  167   1HB   GLU  25          1HB       GLU  25   6.561  -2.301   0.333
  168   2HB   GLU  25          2HB       GLU  25   6.790  -0.794   1.100
  169   1HG   GLU  25          1HG       GLU  25   5.414  -1.431   3.006
  170   2HG   GLU  25          2HG       GLU  25   4.889  -2.906   2.203
  171    H    LEU  26           H        LEU  26   6.197  -1.609  -1.871
  172    HA   LEU  26           HA       LEU  26   7.169   0.909  -2.608
  173   1HB   LEU  26          1HB       LEU  26   7.793  -1.547  -3.336
  174   2HB   LEU  26          2HB       LEU  26   6.616  -1.314  -4.610
  175    HG   LEU  26           HG       LEU  26   8.784   0.765  -4.181
  176   1HD1  LEU  26          1HD1      LEU  26   9.137  -1.970  -5.477
  177   2HD1  LEU  26          2HD1      LEU  26  10.252  -0.602  -5.686
  178   3HD1  LEU  26          3HD1      LEU  26  10.024  -1.313  -4.082
  179   1HD2  LEU  26          1HD2      LEU  26   6.924   1.007  -5.934
  180   2HD2  LEU  26          2HD2      LEU  26   8.575   1.072  -6.545
  181   3HD2  LEU  26          3HD2      LEU  26   7.614  -0.415  -6.743
  182    H    ALA  27           H        ALA  27   4.247  -0.843  -3.754
  183    HA   ALA  27           HA       ALA  27   3.390   1.169  -5.575
  184   1HB   ALA  27          1HB       ALA  27   2.461  -1.108  -5.551
  185   2HB   ALA  27          2HB       ALA  27   1.197   0.131  -5.429
  186   3HB   ALA  27          3HB       ALA  27   1.686  -0.783  -3.986
  187    H    VAL  28           H        VAL  28   2.495   0.688  -2.101
  188    HA   VAL  28           HA       VAL  28   0.785   2.900  -1.861
  189    HB   VAL  28           HB       VAL  28   2.549   1.469   0.071
  190   1HG1  VAL  28          1HG1      VAL  28   0.664   3.758   0.684
  191   2HG1  VAL  28          2HG1      VAL  28   1.217   2.604   1.915
  192   3HG1  VAL  28          3HG1      VAL  28   2.386   3.640   1.089
  193   1HG2  VAL  28          1HG2      VAL  28  -0.458   1.554  -0.322
  194   2HG2  VAL  28          2HG2      VAL  28   0.607   0.224  -0.771
  195   3HG2  VAL  28          3HG2      VAL  28   0.367   0.638   0.942
  196    H    LYS  29           H        LYS  29   4.396   2.794  -1.426
  197    HA   LYS  29           HA       LYS  29   4.713   5.501  -0.770
  198   1HB   LYS  29          1HB       LYS  29   6.639   3.702  -2.300
  199   2HB   LYS  29          2HB       LYS  29   6.981   5.138  -1.396
  200   1HG   LYS  29          1HG       LYS  29   5.689   2.984   0.203
  201   2HG   LYS  29          2HG       LYS  29   7.246   2.527  -0.489
  202   1HD   LYS  29          1HD       LYS  29   6.686   4.986   1.164
  203   2HD   LYS  29          2HD       LYS  29   7.282   3.469   1.838
  204   1HE   LYS  29          1HE       LYS  29   9.385   3.610   0.729
  205   2HE   LYS  29          2HE       LYS  29   8.863   4.888  -0.364
  206   1HZ   LYS  29          1HZ       LYS  29   8.659   6.353   1.533
  207   2HZ   LYS  29          2HZ       LYS  29   9.202   5.193   2.547
  208   3HZ   LYS  29          3HZ       LYS  29  10.170   5.843   1.376
  209    H    GLY  30           H        GLY  30   4.653   3.750  -3.852
  210   1HA   GLY  30          1HA       GLY  30   4.356   4.371  -6.003
  211   2HA   GLY  30          2HA       GLY  30   5.308   5.821  -5.646
  212    H    SER  31           H        SER  31   2.167   4.857  -4.211
  213    HA   SER  31           HA       SER  31   0.630   6.551  -5.964
  214   1HB   SER  31          1HB       SER  31  -0.127   5.039  -3.439
  215   2HB   SER  31          2HB       SER  31  -1.263   5.763  -4.579
  216    HG   SER  31           HG       SER  31  -0.708   4.298  -6.088
  217    H    CYS  32           H        CYS  32   1.471   6.755  -2.448
  218    HA   CYS  32           HA       CYS  32   0.204   9.490  -2.412
  219   1HB   CYS  32          1HB       CYS  32   0.286   7.271  -0.387
  220   2HB   CYS  32          2HB       CYS  32  -0.266   8.887   0.027
  221    HA   PRO  33           HA       PRO  33   4.154  10.871  -0.952
  222   1HB   PRO  33          1HB       PRO  33   3.563  13.189   0.368
  223   2HB   PRO  33          2HB       PRO  33   3.277  13.013  -1.385
  224   1HG   PRO  33          1HG       PRO  33   1.262  12.666   0.856
  225   2HG   PRO  33          2HG       PRO  33   1.095  13.656  -0.620
  226   1HD   PRO  33          1HD       PRO  33   0.084  11.118  -0.458
  227   2HD   PRO  33          2HD       PRO  33   0.778  11.770  -1.965
  228    HA   PRO  34           HA       PRO  34   4.562   9.348   3.244
  229   1HB   PRO  34          1HB       PRO  34   6.669  10.803   4.280
  230   2HB   PRO  34          2HB       PRO  34   6.930   9.579   3.039
  231   1HG   PRO  34          1HG       PRO  34   6.606  12.541   2.612
  232   2HG   PRO  34          2HG       PRO  34   7.868  11.467   1.946
  233   1HD   PRO  34          1HD       PRO  34   5.712  12.134   0.468
  234   2HD   PRO  34          2HD       PRO  34   6.322  10.460   0.429
  235    HA   PRO  35           HA       PRO  35   4.824   9.157   5.565
  236   1HB   PRO  35          1HB       PRO  35   3.257   8.972   7.756
  237   2HB   PRO  35          2HB       PRO  35   4.653  10.089   7.732
  238   1HG   PRO  35          1HG       PRO  35   1.745  10.756   7.174
  239   2HG   PRO  35          2HG       PRO  35   2.841  11.584   8.313
  240   1HD   PRO  35          1HD       PRO  35   2.442  12.492   5.788
  241   2HD   PRO  35          2HD       PRO  35   4.055  12.597   6.538
  242    H    TRP  36           H        TRP  36   3.428   7.141   6.060
  243    HA   TRP  36           HA       TRP  36   0.816   7.127   4.574
  244   1HB   TRP  36          1HB       TRP  36   2.907   4.959   4.794
  245   2HB   TRP  36          2HB       TRP  36   1.324   4.810   4.018
  246    HD1  TRP  36           HD1      TRP  36   0.949   6.141   1.744
  247    HE1  TRP  36           HE1      TRP  36   2.573   7.097  -0.024
  248    HE3  TRP  36           HE3      TRP  36   5.266   6.079   4.474
  249    HZ2  TRP  36           HZ2      TRP  36   5.311   7.924  -0.146
  250    HZ3  TRP  36           HZ3      TRP  36   7.338   7.027   3.551
  251    HH2  TRP  36           HH2      TRP  36   7.366   7.988   1.229
  252    H    SER  37           H        SER  37   0.041   7.863   6.680
  253    HA   SER  37           HA       SER  37   0.471   6.304   9.060
  254   1HB   SER  37          1HB       SER  37  -1.593   8.465   8.470
  255   2HB   SER  37          2HB       SER  37  -0.960   7.970  10.043
  256    HG   SER  37           HG       SER  37   1.167   8.655   9.124

  No H/Q in entry =         256
  Start of MODEL    6
    1    H1   ASP   1           H1       ASP   1  -9.329  -6.447  -4.260
    2    H2   ASP   1           H2       ASP   1  -7.985  -6.281  -5.191
    3    H3   ASP   1           H3       ASP   1  -8.880  -7.644  -5.330
    4    HA   ASP   1           HA       ASP   1  -8.382  -8.253  -3.070
    5   1HB   ASP   1          1HB       ASP   1  -6.206  -9.031  -3.403
    6   2HB   ASP   1          2HB       ASP   1  -6.930  -9.040  -5.000
    7    H    ILE   2           H        ILE   2  -6.810  -8.070  -1.366
    8    HA   ILE   2           HA       ILE   2  -7.157  -5.588  -0.073
    9    HB   ILE   2           HB       ILE   2  -6.956  -7.895   0.819
   10   1HG1  ILE   2          1HG1      ILE   2  -7.156  -6.574   2.551
   11   2HG1  ILE   2          2HG1      ILE   2  -5.689  -7.496   2.871
   12   1HG2  ILE   2          1HG2      ILE   2  -4.698  -8.424  -0.339
   13   2HG2  ILE   2          2HG2      ILE   2  -3.993  -7.418   0.946
   14   3HG2  ILE   2          3HG2      ILE   2  -4.843  -8.916   1.359
   15   1HD1  ILE   2          1HD1      ILE   2  -4.367  -5.511   2.026
   16   2HD1  ILE   2          2HD1      ILE   2  -5.927  -4.616   2.040
   17   3HD1  ILE   2          3HD1      ILE   2  -5.279  -5.307   3.534
   18    H    CYS   3           H        CYS   3  -4.453  -6.807  -2.087
   19    HA   CYS   3           HA       CYS   3  -2.588  -4.759  -1.284
   20   1HB   CYS   3          1HB       CYS   3  -2.721  -6.734  -3.407
   21   2HB   CYS   3          2HB       CYS   3  -2.427  -5.161  -4.142
   22    H    ASP   4           H        ASP   4  -5.262  -4.773  -3.704
   23    HA   ASP   4           HA       ASP   4  -4.581  -2.077  -4.530
   24   1HB   ASP   4          1HB       ASP   4  -5.825  -3.769  -5.943
   25   2HB   ASP   4          2HB       ASP   4  -7.255  -3.427  -4.957
   26    H    ILE   5           H        ILE   5  -6.744  -3.538  -2.132
   27    HA   ILE   5           HA       ILE   5  -8.078  -1.189  -1.249
   28    HB   ILE   5           HB       ILE   5  -7.107  -3.482   0.466
   29   1HG1  ILE   5          1HG1      ILE   5  -9.744  -2.977  -0.957
   30   2HG1  ILE   5          2HG1      ILE   5  -8.596  -4.212  -1.368
   31   1HG2  ILE   5          1HG2      ILE   5  -7.656  -1.459   1.761
   32   2HG2  ILE   5          2HG2      ILE   5  -9.270  -1.454   1.015
   33   3HG2  ILE   5          3HG2      ILE   5  -8.756  -2.797   2.070
   34   1HD1  ILE   5          1HD1      ILE   5  -8.944  -5.062   1.091
   35   2HD1  ILE   5          2HD1      ILE   5 -10.391  -4.043   1.048
   36   3HD1  ILE   5          3HD1      ILE   5 -10.207  -5.367  -0.118
   37    H    ALA   6           H        ALA   6  -5.057  -2.617   0.128
   38    HA   ALA   6           HA       ALA   6  -4.352  -0.511   1.820
   39   1HB   ALA   6          1HB       ALA   6  -2.082  -1.508   1.710
   40   2HB   ALA   6          2HB       ALA   6  -3.302  -2.799   1.765
   41   3HB   ALA   6          3HB       ALA   6  -2.517  -2.390   0.231
   42    H    ILE   7           H        ILE   7  -3.623  -0.895  -1.662
   43    HA   ILE   7           HA       ILE   7  -1.980   1.478  -1.766
   44    HB   ILE   7           HB       ILE   7  -3.211  -0.224  -3.914
   45   1HG1  ILE   7          1HG1      ILE   7  -0.289  -0.041  -3.034
   46   2HG1  ILE   7          2HG1      ILE   7  -1.379  -1.129  -2.199
   47   1HG2  ILE   7          1HG2      ILE   7  -1.045   1.925  -4.119
   48   2HG2  ILE   7          2HG2      ILE   7  -1.506   0.817  -5.424
   49   3HG2  ILE   7          3HG2      ILE   7  -2.658   2.005  -4.849
   50   1HD1  ILE   7          1HD1      ILE   7  -1.963  -2.226  -4.347
   51   2HD1  ILE   7          2HD1      ILE   7  -0.723  -1.254  -5.154
   52   3HD1  ILE   7          3HD1      ILE   7  -0.260  -2.380  -3.852
   53    H    ALA   8           H        ALA   8  -5.459   0.887  -2.166
   54    HA   ALA   8           HA       ALA   8  -6.106   3.547  -3.175
   55   1HB   ALA   8          1HB       ALA   8  -7.630   1.630  -3.452
   56   2HB   ALA   8          2HB       ALA   8  -7.816   1.499  -1.692
   57   3HB   ALA   8          3HB       ALA   8  -8.382   2.940  -2.534
   58    H    GLN   9           H        GLN   9  -5.850   1.967  -0.047
   59    HA   GLN   9           HA       GLN   9  -6.527   4.283   1.597
   60   1HB   GLN   9          1HB       GLN   9  -5.241   1.573   2.125
   61   2HB   GLN   9          2HB       GLN   9  -5.734   2.630   3.410
   62   1HG   GLN   9          1HG       GLN   9  -7.628   1.374   1.345
   63   2HG   GLN   9          2HG       GLN   9  -7.307   0.760   2.961
   64   2HE2  GLN   9          2HE2      GLN   9  -9.379   0.932   3.859
   65   1HE2  GLN   9          1HE2      GLN   9 -10.274   2.425   3.867
   66    H    CYS  10           H        CYS  10  -3.837   3.303  -0.126
   67    HA   CYS  10           HA       CYS  10  -1.643   3.290   0.058
   68   1HB   CYS  10          1HB       CYS  10  -0.562   5.556   0.249
   69   2HB   CYS  10          2HB       CYS  10  -1.664   5.223  -1.043
   70    H    SER  11           H        SER  11  -2.062   1.991   1.986
   71    HA   SER  11           HA       SER  11  -1.127   3.178   4.580
   72   1HB   SER  11          1HB       SER  11  -3.473   2.563   4.712
   73   2HB   SER  11          2HB       SER  11  -3.143   0.981   4.005
   74    HG   SER  11           HG       SER  11  -3.216   1.514   6.510
   75    H    LEU  12           H        LEU  12   0.921   2.467   4.959
   76    HA   LEU  12           HA       LEU  12   1.972   0.009   3.801
   77   1HB   LEU  12          1HB       LEU  12   3.055   1.771   6.005
   78   2HB   LEU  12          2HB       LEU  12   3.907   0.420   5.254
   79    HG   LEU  12           HG       LEU  12   3.014   2.973   3.840
   80   1HD1  LEU  12          1HD1      LEU  12   5.742   1.856   4.594
   81   2HD1  LEU  12          2HD1      LEU  12   5.458   3.344   3.676
   82   3HD1  LEU  12          3HD1      LEU  12   4.930   3.236   5.378
   83   1HD2  LEU  12          1HD2      LEU  12   3.035   1.016   2.264
   84   2HD2  LEU  12          2HD2      LEU  12   4.289   2.205   1.914
   85   3HD2  LEU  12          3HD2      LEU  12   4.719   0.709   2.748
   86    H    THR  13           H        THR  13   0.298   0.816   6.837
   87    HA   THR  13           HA       THR  13   0.901  -1.722   8.046
   88    HB   THR  13           HB       THR  13  -1.514   0.107   8.430
   89    HG1  THR  13           HG1      THR  13   0.566   0.948   8.931
   90   1HG2  THR  13          1HG2      THR  13  -0.499  -2.252  10.088
   91   2HG2  THR  13          2HG2      THR  13  -1.694  -1.062  10.647
   92   3HG2  THR  13          3HG2      THR  13  -2.072  -2.120   9.284
   93    H    LEU  14           H        LEU  14  -2.101  -0.732   6.128
   94    HA   LEU  14           HA       LEU  14  -3.125  -3.315   6.440
   95   1HB   LEU  14          1HB       LEU  14  -4.388  -1.238   6.104
   96   2HB   LEU  14          2HB       LEU  14  -3.719  -1.124   4.475
   97    HG   LEU  14           HG       LEU  14  -4.675  -3.011   3.727
   98   1HD1  LEU  14          1HD1      LEU  14  -5.806  -3.237   6.530
   99   2HD1  LEU  14          2HD1      LEU  14  -6.481  -4.160   5.162
  100   3HD1  LEU  14          3HD1      LEU  14  -4.808  -4.455   5.692
  101   1HD2  LEU  14          1HD2      LEU  14  -5.951  -0.921   3.625
  102   2HD2  LEU  14          2HD2      LEU  14  -7.080  -2.285   3.849
  103   3HD2  LEU  14          3HD2      LEU  14  -6.658  -1.249   5.227
  104    H    CYS  15           H        CYS  15  -0.597  -2.084   4.378
  105    HA   CYS  15           HA       CYS  15  -0.843  -3.906   2.188
  106   1HB   CYS  15          1HB       CYS  15   1.419  -2.328   3.391
  107   2HB   CYS  15          2HB       CYS  15   1.849  -3.724   2.422
  108    H    GLN  16           H        GLN  16   0.171  -4.407   5.516
  109    HA   GLN  16           HA       GLN  16   1.736  -6.712   5.319
  110   1HB   GLN  16          1HB       GLN  16  -0.333  -5.805   7.340
  111   2HB   GLN  16          2HB       GLN  16   0.724  -7.197   7.611
  112   1HG   GLN  16          1HG       GLN  16   1.929  -4.496   6.914
  113   2HG   GLN  16          2HG       GLN  16   1.436  -4.891   8.561
  114   2HE2  GLN  16          2HE2      GLN  16   2.662  -6.396   9.796
  115   1HE2  GLN  16          1HE2      GLN  16   4.171  -7.045   9.191
  116    H    ASP  17           H        ASP  17  -1.862  -6.466   5.134
  117    HA   ASP  17           HA       ASP  17  -2.205  -9.331   5.206
  118   1HB   ASP  17          1HB       ASP  17  -3.978  -7.025   4.348
  119   2HB   ASP  17          2HB       ASP  17  -4.457  -8.722   4.162
  120    H    CYS  18           H        CYS  18  -1.153  -7.201   2.629
  121    HA   CYS  18           HA       CYS  18  -2.412  -8.750   0.536
  122   1HB   CYS  18          1HB       CYS  18  -1.872  -6.497   0.011
  123   2HB   CYS  18          2HB       CYS  18  -0.167  -6.695   0.447
  124    H    GLU  19           H        GLU  19  -1.364 -10.228  -0.886
  125    HA   GLU  19           HA       GLU  19   0.204 -12.231  -0.364
  126   1HB   GLU  19          1HB       GLU  19  -0.704 -11.585  -2.614
  127   2HB   GLU  19          2HB       GLU  19   0.703 -10.534  -2.770
  128   1HG   GLU  19          1HG       GLU  19   2.119 -12.667  -2.347
  129   2HG   GLU  19          2HG       GLU  19   0.596 -13.549  -2.583
  130    H    ASN  20           H        ASN  20   1.719  -9.129  -1.392
  131    HA   ASN  20           HA       ASN  20   4.363 -10.136  -0.530
  132   1HB   ASN  20          1HB       ASN  20   5.117  -8.929  -2.534
  133   2HB   ASN  20          2HB       ASN  20   4.265 -10.446  -2.803
  134   2HD2  ASN  20          2HD2      ASN  20   2.590  -7.253  -2.276
  135   1HD2  ASN  20          1HD2      ASN  20   1.995  -7.176  -3.919
  136    H    THR  21           H        THR  21   4.893  -8.916   1.290
  137    HA   THR  21           HA       THR  21   3.797  -6.435   1.759
  138    HB   THR  21           HB       THR  21   6.397  -7.114   3.039
  139    HG1  THR  21           HG1      THR  21   3.879  -8.320   3.341
  140   1HG2  THR  21          1HG2      THR  21   5.089  -5.037   3.650
  141   2HG2  THR  21          2HG2      THR  21   3.761  -6.097   4.158
  142   3HG2  THR  21          3HG2      THR  21   5.338  -6.185   4.958
  143    HA   PRO  22           HA       PRO  22   7.476  -3.843   0.605
  144   1HB   PRO  22          1HB       PRO  22   9.525  -4.840  -1.068
  145   2HB   PRO  22          2HB       PRO  22   9.571  -4.868   0.707
  146   1HG   PRO  22          1HG       PRO  22   8.673  -7.101  -1.136
  147   2HG   PRO  22          2HG       PRO  22   9.827  -7.188   0.225
  148   1HD   PRO  22          1HD       PRO  22   7.275  -7.918   0.595
  149   2HD   PRO  22          2HD       PRO  22   8.122  -6.900   1.806
  150    H    ILE  23           H        ILE  23   6.486  -6.171  -1.971
  151    HA   ILE  23           HA       ILE  23   6.559  -4.215  -4.061
  152    HB   ILE  23           HB       ILE  23   5.143  -6.800  -3.630
  153   1HG1  ILE  23          1HG1      ILE  23   6.573  -7.431  -5.607
  154   2HG1  ILE  23          2HG1      ILE  23   7.393  -5.877  -5.449
  155   1HG2  ILE  23          1HG2      ILE  23   4.913  -4.993  -6.063
  156   2HG2  ILE  23          2HG2      ILE  23   4.493  -6.719  -6.073
  157   3HG2  ILE  23          3HG2      ILE  23   3.596  -5.624  -5.035
  158   1HD1  ILE  23          1HD1      ILE  23   7.258  -7.941  -3.209
  159   2HD1  ILE  23          2HD1      ILE  23   8.539  -7.911  -4.436
  160   3HD1  ILE  23          3HD1      ILE  23   8.348  -6.533  -3.348
  161    H    CYS  24           H        CYS  24   4.106  -5.159  -1.620
  162    HA   CYS  24           HA       CYS  24   2.035  -3.425  -2.644
  163   1HB   CYS  24          1HB       CYS  24   1.599  -5.324  -1.164
  164   2HB   CYS  24          2HB       CYS  24   2.424  -4.519   0.169
  165    H    GLU  25           H        GLU  25   4.566  -3.095  -0.093
  166    HA   GLU  25           HA       GLU  25   3.906  -0.524   0.802
  167   1HB   GLU  25          1HB       GLU  25   6.482  -2.092   0.576
  168   2HB   GLU  25          2HB       GLU  25   6.474  -0.587   1.371
  169   1HG   GLU  25          1HG       GLU  25   4.671  -1.471   2.971
  170   2HG   GLU  25          2HG       GLU  25   4.897  -3.048   2.241
  171    H    LEU  26           H        LEU  26   6.049  -1.631  -1.817
  172    HA   LEU  26           HA       LEU  26   7.060   0.850  -2.649
  173   1HB   LEU  26          1HB       LEU  26   7.917  -1.320  -3.370
  174   2HB   LEU  26          2HB       LEU  26   6.453  -1.664  -4.279
  175    HG   LEU  26           HG       LEU  26   7.823   0.916  -4.949
  176   1HD1  LEU  26          1HD1      LEU  26   9.012  -1.777  -5.716
  177   2HD1  LEU  26          2HD1      LEU  26   9.486  -0.190  -6.358
  178   3HD1  LEU  26          3HD1      LEU  26   9.755  -0.566  -4.646
  179   1HD2  LEU  26          1HD2      LEU  26   5.791   0.054  -6.199
  180   2HD2  LEU  26          2HD2      LEU  26   7.223   0.238  -7.209
  181   3HD2  LEU  26          3HD2      LEU  26   6.733  -1.374  -6.660
  182    H    ALA  27           H        ALA  27   4.073  -0.879  -3.704
  183    HA   ALA  27           HA       ALA  27   3.314   1.168  -5.573
  184   1HB   ALA  27          1HB       ALA  27   1.660  -0.927  -4.139
  185   2HB   ALA  27          2HB       ALA  27   1.080   0.136  -5.450
  186   3HB   ALA  27          3HB       ALA  27   2.382  -1.023  -5.765
  187    H    VAL  28           H        VAL  28   2.428   0.622  -2.114
  188    HA   VAL  28           HA       VAL  28   0.720   2.835  -1.790
  189    HB   VAL  28           HB       VAL  28   2.600   1.453   0.062
  190   1HG1  VAL  28          1HG1      VAL  28   0.770   3.782   0.672
  191   2HG1  VAL  28          2HG1      VAL  28   1.322   2.662   1.926
  192   3HG1  VAL  28          3HG1      VAL  28   2.500   3.635   1.038
  193   1HG2  VAL  28          1HG2      VAL  28   0.618   0.194  -0.659
  194   2HG2  VAL  28          2HG2      VAL  28   0.491   0.639   1.060
  195   3HG2  VAL  28          3HG2      VAL  28  -0.426   1.523  -0.152
  196    H    LYS  29           H        LYS  29   4.325   2.760  -1.417
  197    HA   LYS  29           HA       LYS  29   4.641   5.512  -0.942
  198   1HB   LYS  29          1HB       LYS  29   6.442   3.374  -2.168
  199   2HB   LYS  29          2HB       LYS  29   6.965   5.005  -1.762
  200   1HG   LYS  29          1HG       LYS  29   6.365   4.667   0.577
  201   2HG   LYS  29          2HG       LYS  29   5.783   3.045   0.256
  202   1HD   LYS  29          1HD       LYS  29   8.035   2.344  -0.450
  203   2HD   LYS  29          2HD       LYS  29   8.659   3.982  -0.206
  204   1HE   LYS  29          1HE       LYS  29   7.502   2.157   1.983
  205   2HE   LYS  29          2HE       LYS  29   9.207   2.459   1.656
  206   1HZ   LYS  29          1HZ       LYS  29   8.819   4.808   2.137
  207   2HZ   LYS  29          2HZ       LYS  29   7.309   4.447   2.693
  208   3HZ   LYS  29          3HZ       LYS  29   8.630   3.827   3.416
  209    H    GLY  30           H        GLY  30   4.506   3.654  -3.983
  210   1HA   GLY  30          1HA       GLY  30   4.017   4.308  -6.098
  211   2HA   GLY  30          2HA       GLY  30   4.977   5.775  -5.817
  212    H    SER  31           H        SER  31   2.082   4.770  -4.031
  213    HA   SER  31           HA       SER  31   0.247   6.227  -5.701
  214   1HB   SER  31          1HB       SER  31  -0.205   4.041  -4.598
  215   2HB   SER  31          2HB       SER  31  -0.183   4.849  -3.016
  216    HG   SER  31           HG       SER  31  -2.300   4.635  -3.753
  217    H    CYS  32           H        CYS  32   1.769   6.782  -2.494
  218    HA   CYS  32           HA       CYS  32   0.650   9.563  -2.435
  219   1HB   CYS  32          1HB       CYS  32   0.411   7.418  -0.324
  220   2HB   CYS  32          2HB       CYS  32   0.063   9.107  -0.009
  221    HA   PRO  33           HA       PRO  33   4.778  10.063  -0.700
  222   1HB   PRO  33          1HB       PRO  33   4.630  12.552   0.462
  223   2HB   PRO  33          2HB       PRO  33   4.641  12.288  -1.307
  224   1HG   PRO  33          1HG       PRO  33   2.250  12.747   0.490
  225   2HG   PRO  33          2HG       PRO  33   2.628  13.527  -1.071
  226   1HD   PRO  33          1HD       PRO  33   0.914  11.387  -0.844
  227   2HD   PRO  33          2HD       PRO  33   1.950  11.627  -2.282
  228    HA   PRO  34           HA       PRO  34   4.471   8.792   3.574
  229   1HB   PRO  34          1HB       PRO  34   6.764  10.226   4.616
  230   2HB   PRO  34          2HB       PRO  34   6.705   8.555   4.134
  231   1HG   PRO  34          1HG       PRO  34   7.894  10.799   2.733
  232   2HG   PRO  34          2HG       PRO  34   8.003   9.094   2.309
  233   1HD   PRO  34          1HD       PRO  34   6.460  11.142   1.008
  234   2HD   PRO  34          2HD       PRO  34   6.496   9.410   0.629
  235    HA   PRO  35           HA       PRO  35   4.363   8.640   5.852
  236   1HB   PRO  35          1HB       PRO  35   2.514   8.736   7.824
  237   2HB   PRO  35          2HB       PRO  35   4.054   9.628   7.953
  238   1HG   PRO  35          1HG       PRO  35   1.375  10.706   6.999
  239   2HG   PRO  35          2HG       PRO  35   2.423  11.372   8.285
  240   1HD   PRO  35          1HD       PRO  35   2.523  12.306   5.714
  241   2HD   PRO  35          2HD       PRO  35   4.003  12.141   6.709
  242    H    TRP  36           H        TRP  36   2.637   6.925   6.285
  243    HA   TRP  36           HA       TRP  36   0.303   7.049   4.392
  244   1HB   TRP  36          1HB       TRP  36   2.327   4.840   4.937
  245   2HB   TRP  36          2HB       TRP  36   0.878   4.639   3.972
  246    HD1  TRP  36           HD1      TRP  36   0.775   6.186   1.719
  247    HE1  TRP  36           HE1      TRP  36   2.648   6.868   0.096
  248    HE3  TRP  36           HE3      TRP  36   4.766   5.644   4.847
  249    HZ2  TRP  36           HZ2      TRP  36   5.486   7.311   0.212
  250    HZ3  TRP  36           HZ3      TRP  36   7.038   6.236   4.072
  251    HH2  TRP  36           HH2      TRP  36   7.421   7.000   1.738
  252    H    SER  37           H        SER  37  -0.909   7.683   6.365
  253    HA   SER  37           HA       SER  37  -1.789   5.347   7.872
  254   1HB   SER  37          1HB       SER  37  -0.561   7.767   9.283
  255   2HB   SER  37          2HB       SER  37  -1.471   6.466  10.051
  256    HG   SER  37           HG       SER  37   1.011   6.235   8.684

  No H/Q in entry =         256
  Start of MODEL    7
    1    H1   ASP   1           H1       ASP   1  -8.139  -5.590  -4.827
    2    H2   ASP   1           H2       ASP   1  -6.717  -6.131  -5.386
    3    H3   ASP   1           H3       ASP   1  -8.129  -6.729  -6.037
    4    HA   ASP   1           HA       ASP   1  -8.508  -7.824  -3.853
    5   1HB   ASP   1          1HB       ASP   1  -6.554  -9.242  -3.671
    6   2HB   ASP   1          2HB       ASP   1  -6.779  -8.891  -5.389
    7    H    ILE   2           H        ILE   2  -6.719  -8.179  -1.693
    8    HA   ILE   2           HA       ILE   2  -7.118  -5.709  -0.373
    9    HB   ILE   2           HB       ILE   2  -6.943  -8.062   0.410
   10   1HG1  ILE   2          1HG1      ILE   2  -7.571  -6.885   2.094
   11   2HG1  ILE   2          2HG1      ILE   2  -6.118  -7.691   2.686
   12   1HG2  ILE   2          1HG2      ILE   2  -4.545  -8.469  -0.384
   13   2HG2  ILE   2          2HG2      ILE   2  -4.054  -7.439   0.993
   14   3HG2  ILE   2          3HG2      ILE   2  -4.884  -8.976   1.283
   15   1HD1  ILE   2          1HD1      ILE   2  -4.846  -5.552   2.233
   16   2HD1  ILE   2          2HD1      ILE   2  -6.424  -4.794   1.876
   17   3HD1  ILE   2          3HD1      ILE   2  -6.129  -5.481   3.477
   18    H    CYS   3           H        CYS   3  -4.296  -6.874  -2.233
   19    HA   CYS   3           HA       CYS   3  -2.413  -4.889  -1.285
   20   1HB   CYS   3          1HB       CYS   3  -2.685  -6.642  -3.713
   21   2HB   CYS   3          2HB       CYS   3  -1.903  -5.097  -3.978
   22    H    ASP   4           H        ASP   4  -4.911  -4.938  -3.837
   23    HA   ASP   4           HA       ASP   4  -4.410  -2.247  -4.738
   24   1HB   ASP   4          1HB       ASP   4  -5.690  -3.628  -6.191
   25   2HB   ASP   4          2HB       ASP   4  -6.872  -3.982  -4.926
   26    H    ILE   5           H        ILE   5  -6.659  -3.600  -2.347
   27    HA   ILE   5           HA       ILE   5  -7.922  -1.252  -1.468
   28    HB   ILE   5           HB       ILE   5  -7.026  -3.600   0.204
   29   1HG1  ILE   5          1HG1      ILE   5  -9.634  -2.998  -1.205
   30   2HG1  ILE   5          2HG1      ILE   5  -8.540  -4.254  -1.629
   31   1HG2  ILE   5          1HG2      ILE   5  -7.591  -1.573   1.572
   32   2HG2  ILE   5          2HG2      ILE   5  -9.219  -1.650   0.864
   33   3HG2  ILE   5          3HG2      ILE   5  -8.593  -2.982   1.872
   34   1HD1  ILE   5          1HD1      ILE   5  -8.957  -5.229   0.723
   35   2HD1  ILE   5          2HD1      ILE   5 -10.274  -4.050   0.836
   36   3HD1  ILE   5          3HD1      ILE   5 -10.302  -5.282  -0.438
   37    H    ALA   6           H        ALA   6  -4.929  -2.706  -0.086
   38    HA   ALA   6           HA       ALA   6  -4.318  -0.607   1.705
   39   1HB   ALA   6          1HB       ALA   6  -2.030  -1.622   1.672
   40   2HB   ALA   6          2HB       ALA   6  -3.282  -2.883   1.759
   41   3HB   ALA   6          3HB       ALA   6  -2.468  -2.550   0.223
   42    H    ILE   7           H        ILE   7  -3.482  -0.971  -1.747
   43    HA   ILE   7           HA       ILE   7  -1.824   1.387  -1.781
   44    HB   ILE   7           HB       ILE   7  -3.121  -0.271  -3.945
   45   1HG1  ILE   7          1HG1      ILE   7  -0.177   0.060  -3.228
   46   2HG1  ILE   7          2HG1      ILE   7  -1.178  -1.123  -2.399
   47   1HG2  ILE   7          1HG2      ILE   7  -1.172   2.057  -4.245
   48   2HG2  ILE   7          2HG2      ILE   7  -1.606   0.937  -5.545
   49   3HG2  ILE   7          3HG2      ILE   7  -2.835   1.995  -4.863
   50   1HD1  ILE   7          1HD1      ILE   7  -1.791  -2.176  -4.534
   51   2HD1  ILE   7          2HD1      ILE   7  -0.676  -1.092  -5.390
   52   3HD1  ILE   7          3HD1      ILE   7  -0.049  -2.235  -4.184
   53    H    ALA   8           H        ALA   8  -5.294   0.833  -2.389
   54    HA   ALA   8           HA       ALA   8  -5.862   3.462  -3.382
   55   1HB   ALA   8          1HB       ALA   8  -7.342   1.480  -3.640
   56   2HB   ALA   8          2HB       ALA   8  -7.639   1.464  -1.894
   57   3HB   ALA   8          3HB       ALA   8  -8.182   2.835  -2.864
   58    H    GLN   9           H        GLN   9  -5.772   1.919  -0.233
   59    HA   GLN   9           HA       GLN   9  -6.635   4.195   1.347
   60   1HB   GLN   9          1HB       GLN   9  -5.402   1.456   1.918
   61   2HB   GLN   9          2HB       GLN   9  -5.612   2.616   3.197
   62   1HG   GLN   9          1HG       GLN   9  -8.100   2.767   2.397
   63   2HG   GLN   9          2HG       GLN   9  -7.747   1.299   1.485
   64   2HE2  GLN   9          2HE2      GLN   9  -9.248   0.107   2.719
   65   1HE2  GLN   9          1HE2      GLN   9  -9.049  -0.272   4.418
   66    H    CYS  10           H        CYS  10  -3.738   3.015   0.022
   67    HA   CYS  10           HA       CYS  10  -1.586   3.330   0.073
   68   1HB   CYS  10          1HB       CYS  10  -0.684   5.626   0.467
   69   2HB   CYS  10          2HB       CYS  10  -1.732   5.339  -0.890
   70    H    SER  11           H        SER  11  -1.873   1.891   1.903
   71    HA   SER  11           HA       SER  11  -0.992   3.026   4.536
   72   1HB   SER  11          1HB       SER  11  -3.401   2.455   4.571
   73   2HB   SER  11          2HB       SER  11  -3.019   0.839   3.967
   74    HG   SER  11           HG       SER  11  -2.279   2.015   6.449
   75    H    LEU  12           H        LEU  12   1.041   2.283   4.840
   76    HA   LEU  12           HA       LEU  12   2.091  -0.124   3.613
   77   1HB   LEU  12          1HB       LEU  12   3.079   1.532   5.957
   78   2HB   LEU  12          2HB       LEU  12   3.985   0.255   5.130
   79    HG   LEU  12           HG       LEU  12   3.003   2.864   3.842
   80   1HD1  LEU  12          1HD1      LEU  12   5.721   1.849   4.702
   81   2HD1  LEU  12          2HD1      LEU  12   5.449   3.302   3.729
   82   3HD1  LEU  12          3HD1      LEU  12   4.824   3.216   5.401
   83   1HD2  LEU  12          1HD2      LEU  12   4.763   0.632   2.738
   84   2HD2  LEU  12          2HD2      LEU  12   3.132   1.024   2.163
   85   3HD2  LEU  12          3HD2      LEU  12   4.447   2.178   1.933
   86    H    THR  13           H        THR  13   0.673   0.694   6.811
   87    HA   THR  13           HA       THR  13   1.140  -1.895   7.856
   88    HB   THR  13           HB       THR  13  -1.139   0.003   8.564
   89    HG1  THR  13           HG1      THR  13   0.445   0.616  10.197
   90   1HG2  THR  13          1HG2      THR  13   0.150  -2.381   9.958
   91   2HG2  THR  13          2HG2      THR  13  -0.758  -1.140  10.841
   92   3HG2  THR  13          3HG2      THR  13  -1.563  -2.108   9.596
   93    H    LEU  14           H        LEU  14  -1.726  -0.646   6.005
   94    HA   LEU  14           HA       LEU  14  -3.031  -3.159   6.212
   95   1HB   LEU  14          1HB       LEU  14  -3.824  -0.729   5.426
   96   2HB   LEU  14          2HB       LEU  14  -3.547  -1.432   3.835
   97    HG   LEU  14           HG       LEU  14  -5.733  -1.632   5.762
   98   1HD1  LEU  14          1HD1      LEU  14  -5.906  -0.946   3.393
   99   2HD1  LEU  14          2HD1      LEU  14  -5.537  -2.614   2.894
  100   3HD1  LEU  14          3HD1      LEU  14  -7.018  -2.262   3.815
  101   1HD2  LEU  14          1HD2      LEU  14  -4.736  -4.304   4.758
  102   2HD2  LEU  14          2HD2      LEU  14  -5.054  -3.808   6.438
  103   3HD2  LEU  14          3HD2      LEU  14  -6.388  -3.985   5.306
  104    H    CYS  15           H        CYS  15  -0.361  -2.092   4.179
  105    HA   CYS  15           HA       CYS  15  -0.687  -4.054   2.098
  106   1HB   CYS  15          1HB       CYS  15   1.822  -2.713   3.182
  107   2HB   CYS  15          2HB       CYS  15   1.876  -3.987   1.998
  108    H    GLN  16           H        GLN  16   0.381  -4.313   5.449
  109    HA   GLN  16           HA       GLN  16   1.725  -6.807   5.163
  110   1HB   GLN  16          1HB       GLN  16   0.319  -5.708   7.621
  111   2HB   GLN  16          2HB       GLN  16   1.494  -7.027   7.558
  112   1HG   GLN  16          1HG       GLN  16   3.161  -5.381   6.530
  113   2HG   GLN  16          2HG       GLN  16   1.999  -4.090   6.850
  114   2HE2  GLN  16          2HE2      GLN  16   3.521  -6.886   8.574
  115   1HE2  GLN  16          1HE2      GLN  16   3.770  -5.999  10.071
  116    H    ASP  17           H        ASP  17  -1.683  -6.129   4.899
  117    HA   ASP  17           HA       ASP  17  -2.579  -8.805   5.657
  118   1HB   ASP  17          1HB       ASP  17  -3.793  -6.545   4.016
  119   2HB   ASP  17          2HB       ASP  17  -4.547  -8.117   4.204
  120    H    CYS  18           H        CYS  18  -1.198  -7.277   2.752
  121    HA   CYS  18           HA       CYS  18  -2.553  -9.069   0.940
  122   1HB   CYS  18          1HB       CYS  18  -1.960  -6.777   0.269
  123   2HB   CYS  18          2HB       CYS  18  -0.249  -7.134   0.488
  124    H    GLU  19           H        GLU  19  -1.503 -10.526  -0.560
  125    HA   GLU  19           HA       GLU  19  -0.024 -12.622   0.023
  126   1HB   GLU  19          1HB       GLU  19  -0.918 -12.178  -2.171
  127   2HB   GLU  19          2HB       GLU  19   0.201 -10.836  -2.351
  128   1HG   GLU  19          1HG       GLU  19   1.925 -13.022  -1.981
  129   2HG   GLU  19          2HG       GLU  19   0.588 -13.696  -2.900
  130    H    ASN  20           H        ASN  20   1.524  -9.520  -1.071
  131    HA   ASN  20           HA       ASN  20   4.036 -10.245   0.278
  132   1HB   ASN  20          1HB       ASN  20   5.045  -8.861  -1.362
  133   2HB   ASN  20          2HB       ASN  20   4.114 -10.060  -2.236
  134   2HD2  ASN  20          2HD2      ASN  20   2.307  -9.343  -3.425
  135   1HD2  ASN  20          1HD2      ASN  20   1.980  -7.632  -3.728
  136    H    THR  21           H        THR  21   5.009  -8.577   1.510
  137    HA   THR  21           HA       THR  21   3.567  -6.120   2.031
  138    HB   THR  21           HB       THR  21   6.132  -5.950   3.100
  139    HG1  THR  21           HG1      THR  21   6.218  -8.171   4.083
  140   1HG2  THR  21          1HG2      THR  21   3.972  -5.522   4.221
  141   2HG2  THR  21          2HG2      THR  21   3.695  -7.283   4.297
  142   3HG2  THR  21          3HG2      THR  21   5.040  -6.544   5.205
  143    HA   PRO  22           HA       PRO  22   7.283  -4.091   0.298
  144   1HB   PRO  22          1HB       PRO  22   9.111  -5.376  -1.467
  145   2HB   PRO  22          2HB       PRO  22   9.290  -5.196   0.309
  146   1HG   PRO  22          1HG       PRO  22   8.162  -7.530  -1.261
  147   2HG   PRO  22          2HG       PRO  22   9.324  -7.567   0.098
  148   1HD   PRO  22          1HD       PRO  22   6.736  -8.063   0.544
  149   2HD   PRO  22          2HD       PRO  22   7.646  -6.997   1.654
  150    H    ILE  23           H        ILE  23   5.925  -6.196  -2.320
  151    HA   ILE  23           HA       ILE  23   6.390  -4.188  -4.357
  152    HB   ILE  23           HB       ILE  23   4.526  -6.513  -4.209
  153   1HG1  ILE  23          1HG1      ILE  23   6.030  -7.323  -6.025
  154   2HG1  ILE  23          2HG1      ILE  23   7.128  -5.986  -5.667
  155   1HG2  ILE  23          1HG2      ILE  23   4.989  -4.619  -6.507
  156   2HG2  ILE  23          2HG2      ILE  23   4.139  -6.181  -6.606
  157   3HG2  ILE  23          3HG2      ILE  23   3.460  -4.881  -5.630
  158   1HD1  ILE  23          1HD1      ILE  23   6.313  -8.074  -3.601
  159   2HD1  ILE  23          2HD1      ILE  23   7.681  -8.271  -4.707
  160   3HD1  ILE  23          3HD1      ILE  23   7.704  -6.950  -3.545
  161    H    CYS  24           H        CYS  24   3.836  -4.996  -2.049
  162    HA   CYS  24           HA       CYS  24   1.932  -3.024  -2.900
  163   1HB   CYS  24          1HB       CYS  24   1.344  -4.979  -1.612
  164   2HB   CYS  24          2HB       CYS  24   2.249  -4.433  -0.221
  165    H    GLU  25           H        GLU  25   4.463  -3.056  -0.337
  166    HA   GLU  25           HA       GLU  25   4.144  -0.486   0.716
  167   1HB   GLU  25          1HB       GLU  25   6.549  -2.217   0.103
  168   2HB   GLU  25          2HB       GLU  25   6.783  -0.667   0.751
  169   1HG   GLU  25          1HG       GLU  25   5.026  -1.617   2.627
  170   2HG   GLU  25          2HG       GLU  25   5.863  -3.101   2.151
  171    H    LEU  26           H        LEU  26   6.092  -1.562  -2.084
  172    HA   LEU  26           HA       LEU  26   7.161   0.911  -2.738
  173   1HB   LEU  26          1HB       LEU  26   7.801  -1.358  -3.541
  174   2HB   LEU  26          2HB       LEU  26   6.522  -1.266  -4.739
  175    HG   LEU  26           HG       LEU  26   8.906  -0.658  -5.320
  176   1HD1  LEU  26          1HD1      LEU  26   6.930  -0.184  -6.785
  177   2HD1  LEU  26          2HD1      LEU  26   6.857   1.455  -6.101
  178   3HD1  LEU  26          3HD1      LEU  26   8.279   0.928  -7.018
  179   1HD2  LEU  26          1HD2      LEU  26   9.442   0.811  -3.436
  180   2HD2  LEU  26          2HD2      LEU  26   9.780   1.536  -5.013
  181   3HD2  LEU  26          3HD2      LEU  26   8.354   2.054  -4.112
  182    H    ALA  27           H        ALA  27   4.213  -0.670  -4.004
  183    HA   ALA  27           HA       ALA  27   3.383   1.471  -5.676
  184   1HB   ALA  27          1HB       ALA  27   1.765  -0.673  -4.269
  185   2HB   ALA  27          2HB       ALA  27   1.157   0.396  -5.565
  186   3HB   ALA  27          3HB       ALA  27   2.462  -0.764  -5.898
  187    H    VAL  28           H        VAL  28   2.674   0.823  -2.201
  188    HA   VAL  28           HA       VAL  28   0.877   2.966  -1.815
  189    HB   VAL  28           HB       VAL  28   2.716   1.519   0.026
  190   1HG1  VAL  28          1HG1      VAL  28   0.871   3.842   0.683
  191   2HG1  VAL  28          2HG1      VAL  28   1.406   2.678   1.905
  192   3HG1  VAL  28          3HG1      VAL  28   2.595   3.680   1.076
  193   1HG2  VAL  28          1HG2      VAL  28   0.698   0.317  -0.773
  194   2HG2  VAL  28          2HG2      VAL  28   0.593   0.683   0.964
  195   3HG2  VAL  28          3HG2      VAL  28  -0.308   1.644  -0.199
  196    H    LYS  29           H        LYS  29   4.522   2.905  -1.406
  197    HA   LYS  29           HA       LYS  29   4.782   5.609  -0.859
  198   1HB   LYS  29          1HB       LYS  29   6.602   3.638  -2.342
  199   2HB   LYS  29          2HB       LYS  29   7.028   5.272  -1.923
  200   1HG   LYS  29          1HG       LYS  29   6.310   4.337   0.559
  201   2HG   LYS  29          2HG       LYS  29   6.899   2.857  -0.198
  202   1HD   LYS  29          1HD       LYS  29   8.936   4.148  -0.980
  203   2HD   LYS  29          2HD       LYS  29   8.415   5.528  -0.016
  204   1HE   LYS  29          1HE       LYS  29   9.171   2.761   1.036
  205   2HE   LYS  29          2HE       LYS  29  10.220   4.175   1.021
  206   1HZ   LYS  29          1HZ       LYS  29   7.706   4.134   2.540
  207   2HZ   LYS  29          2HZ       LYS  29   9.147   3.737   3.169
  208   3HZ   LYS  29          3HZ       LYS  29   8.934   5.255   2.619
  209    H    GLY  30           H        GLY  30   4.556   3.936  -3.989
  210   1HA   GLY  30          1HA       GLY  30   3.874   4.673  -6.033
  211   2HA   GLY  30          2HA       GLY  30   4.855   6.120  -5.765
  212    H    SER  31           H        SER  31   2.064   4.992  -3.888
  213    HA   SER  31           HA       SER  31   0.141   6.433  -5.421
  214   1HB   SER  31          1HB       SER  31  -0.161   4.215  -4.275
  215   2HB   SER  31          2HB       SER  31  -0.153   5.049  -2.714
  216    HG   SER  31           HG       SER  31  -2.277   4.755  -3.343
  217    H    CYS  32           H        CYS  32   1.387   6.841  -2.045
  218    HA   CYS  32           HA       CYS  32   0.316   9.647  -2.023
  219   1HB   CYS  32          1HB       CYS  32   0.086   7.530   0.098
  220   2HB   CYS  32          2HB       CYS  32  -0.326   9.189   0.417
  221    HA   PRO  33           HA       PRO  33   4.345  10.356  -0.390
  222   1HB   PRO  33          1HB       PRO  33   4.101  12.697   0.993
  223   2HB   PRO  33          2HB       PRO  33   3.922  12.607  -0.783
  224   1HG   PRO  33          1HG       PRO  33   1.712  12.579   1.302
  225   2HG   PRO  33          2HG       PRO  33   1.820  13.606  -0.157
  226   1HD   PRO  33          1HD       PRO  33   0.379  11.291  -0.106
  227   2HD   PRO  33          2HD       PRO  33   1.277  11.783  -1.572
  228    HA   PRO  34           HA       PRO  34   4.444   8.916   3.875
  229   1HB   PRO  34          1HB       PRO  34   6.970   9.743   4.661
  230   2HB   PRO  34          2HB       PRO  34   6.712   8.402   3.585
  231   1HG   PRO  34          1HG       PRO  34   7.314  11.237   2.802
  232   2HG   PRO  34          2HG       PRO  34   8.071   9.735   2.173
  233   1HD   PRO  34          1HD       PRO  34   6.128  11.112   0.876
  234   2HD   PRO  34          2HD       PRO  34   6.208   9.330   0.807
  235    HA   PRO  35           HA       PRO  35   4.634   8.863   6.096
  236   1HB   PRO  35          1HB       PRO  35   3.103   9.260   8.332
  237   2HB   PRO  35          2HB       PRO  35   4.813   9.734   8.209
  238   1HG   PRO  35          1HG       PRO  35   2.372  11.457   7.832
  239   2HG   PRO  35          2HG       PRO  35   3.828  11.832   8.792
  240   1HD   PRO  35          1HD       PRO  35   3.492  12.784   6.243
  241   2HD   PRO  35          2HD       PRO  35   5.090  12.315   6.865
  242    H    TRP  36           H        TRP  36   3.114   7.157   6.091
  243    HA   TRP  36           HA       TRP  36   0.630   7.683   4.564
  244   1HB   TRP  36          1HB       TRP  36   2.077   5.147   5.382
  245   2HB   TRP  36          2HB       TRP  36   0.580   5.195   4.454
  246    HD1  TRP  36           HD1      TRP  36   0.668   6.285   2.017
  247    HE1  TRP  36           HE1      TRP  36   2.564   6.796   0.353
  248    HE3  TRP  36           HE3      TRP  36   4.676   5.537   5.094
  249    HZ2  TRP  36           HZ2      TRP  36   5.425   7.132   0.462
  250    HZ3  TRP  36           HZ3      TRP  36   6.973   5.787   4.236
  251    HH2  TRP  36           HH2      TRP  36   7.346   6.618   1.898
  252    H    SER  37           H        SER  37   0.238   8.950   6.754
  253    HA   SER  37           HA       SER  37  -1.244   9.268   8.392
  254   1HB   SER  37          1HB       SER  37  -2.475   6.581   7.672
  255   2HB   SER  37          2HB       SER  37  -3.204   7.892   8.591
  256    HG   SER  37           HG       SER  37  -2.932   7.613   5.878

  No H/Q in entry =         256
  Start of MODEL    8
    1    H1   ASP   1           H1       ASP   1  -7.630  -6.124  -5.047
    2    H2   ASP   1           H2       ASP   1  -8.657  -7.266  -5.634
    3    H3   ASP   1           H3       ASP   1  -9.208  -6.092  -4.538
    4    HA   ASP   1           HA       ASP   1  -8.878  -8.061  -3.289
    5   1HB   ASP   1          1HB       ASP   1  -6.705  -9.138  -3.235
    6   2HB   ASP   1          2HB       ASP   1  -7.140  -9.037  -4.934
    7    H    ILE   2           H        ILE   2  -7.263  -8.033  -1.276
    8    HA   ILE   2           HA       ILE   2  -7.462  -5.505  -0.054
    9    HB   ILE   2           HB       ILE   2  -7.298  -7.778   0.928
   10   1HG1  ILE   2          1HG1      ILE   2  -5.963  -7.290   2.922
   11   2HG1  ILE   2          2HG1      ILE   2  -5.406  -5.775   2.195
   12   1HG2  ILE   2          1HG2      ILE   2  -5.183  -8.502  -0.388
   13   2HG2  ILE   2          2HG2      ILE   2  -4.257  -7.483   0.726
   14   3HG2  ILE   2          3HG2      ILE   2  -5.144  -8.877   1.340
   15   1HD1  ILE   2          1HD1      ILE   2  -8.342  -6.550   2.589
   16   2HD1  ILE   2          2HD1      ILE   2  -7.379  -5.739   3.824
   17   3HD1  ILE   2          3HD1      ILE   2  -7.671  -4.920   2.272
   18    H    CYS   3           H        CYS   3  -4.787  -6.806  -2.074
   19    HA   CYS   3           HA       CYS   3  -2.842  -4.872  -1.161
   20   1HB   CYS   3          1HB       CYS   3  -2.661  -7.068  -2.690
   21   2HB   CYS   3          2HB       CYS   3  -2.858  -5.899  -4.006
   22    H    ASP   4           H        ASP   4  -5.406  -4.906  -3.633
   23    HA   ASP   4           HA       ASP   4  -4.779  -2.296  -4.727
   24   1HB   ASP   4          1HB       ASP   4  -6.367  -3.808  -5.921
   25   2HB   ASP   4          2HB       ASP   4  -7.498  -3.672  -4.572
   26    H    ILE   5           H        ILE   5  -6.858  -3.504  -2.107
   27    HA   ILE   5           HA       ILE   5  -8.005  -1.054  -1.356
   28    HB   ILE   5           HB       ILE   5  -7.295  -3.383   0.474
   29   1HG1  ILE   5          1HG1      ILE   5  -9.724  -2.687  -1.193
   30   2HG1  ILE   5          2HG1      ILE   5  -8.700  -4.050  -1.428
   31   1HG2  ILE   5          1HG2      ILE   5  -7.812  -1.304   1.716
   32   2HG2  ILE   5          2HG2      ILE   5  -9.392  -1.267   0.897
   33   3HG2  ILE   5          3HG2      ILE   5  -8.954  -2.614   1.984
   34   1HD1  ILE   5          1HD1      ILE   5  -9.521  -4.943   0.820
   35   2HD1  ILE   5          2HD1      ILE   5 -10.670  -3.586   0.841
   36   3HD1  ILE   5          3HD1      ILE   5 -10.753  -4.790  -0.445
   37    H    ALA   6           H        ALA   6  -5.087  -2.583   0.104
   38    HA   ALA   6           HA       ALA   6  -4.308  -0.399   1.735
   39   1HB   ALA   6          1HB       ALA   6  -2.063  -1.496   1.658
   40   2HB   ALA   6          2HB       ALA   6  -3.318  -2.750   1.788
   41   3HB   ALA   6          3HB       ALA   6  -2.556  -2.432   0.229
   42    H    ILE   7           H        ILE   7  -3.600  -1.036  -1.733
   43    HA   ILE   7           HA       ILE   7  -1.883   1.232  -1.959
   44    HB   ILE   7           HB       ILE   7  -3.351  -0.432  -4.015
   45   1HG1  ILE   7          1HG1      ILE   7  -0.369  -0.117  -3.390
   46   2HG1  ILE   7          2HG1      ILE   7  -1.356  -1.321  -2.579
   47   1HG2  ILE   7          1HG2      ILE   7  -1.356   1.807  -4.388
   48   2HG2  ILE   7          2HG2      ILE   7  -1.874   0.736  -5.697
   49   3HG2  ILE   7          3HG2      ILE   7  -3.033   1.844  -4.961
   50   1HD1  ILE   7          1HD1      ILE   7  -1.939  -2.330  -4.777
   51   2HD1  ILE   7          2HD1      ILE   7  -0.812  -1.202  -5.568
   52   3HD1  ILE   7          3HD1      ILE   7  -0.202  -2.368  -4.382
   53    H    ALA   8           H        ALA   8  -5.373   0.898  -2.495
   54    HA   ALA   8           HA       ALA   8  -5.825   3.569  -3.377
   55   1HB   ALA   8          1HB       ALA   8  -7.482   1.660  -3.493
   56   2HB   ALA   8          2HB       ALA   8  -7.646   1.719  -1.738
   57   3HB   ALA   8          3HB       ALA   8  -8.150   3.106  -2.705
   58    H    GLN   9           H        GLN   9  -5.717   2.026  -0.233
   59    HA   GLN   9           HA       GLN   9  -6.512   4.366   1.284
   60   1HB   GLN   9          1HB       GLN   9  -5.642   1.529   1.960
   61   2HB   GLN   9          2HB       GLN   9  -5.897   2.701   3.217
   62   1HG   GLN   9          1HG       GLN   9  -8.208   3.178   2.010
   63   2HG   GLN   9          2HG       GLN   9  -7.873   1.697   1.117
   64   2HE2  GLN   9          2HE2      GLN   9  -9.895   0.976   1.976
   65   1HE2  GLN   9          1HE2      GLN   9 -10.075   0.471   3.656
   66    H    CYS  10           H        CYS  10  -3.586   3.107   0.105
   67    HA   CYS  10           HA       CYS  10  -1.411   3.423   0.387
   68   1HB   CYS  10          1HB       CYS  10  -0.598   5.750   0.842
   69   2HB   CYS  10          2HB       CYS  10  -1.498   5.435  -0.619
   70    H    SER  11           H        SER  11  -1.546   2.045   2.179
   71    HA   SER  11           HA       SER  11  -0.793   3.226   4.786
   72   1HB   SER  11          1HB       SER  11  -3.222   2.859   4.863
   73   2HB   SER  11          2HB       SER  11  -3.026   1.205   4.278
   74    HG   SER  11           HG       SER  11  -3.273   1.427   6.579
   75    H    LEU  12           H        LEU  12   1.042   2.172   5.426
   76    HA   LEU  12           HA       LEU  12   1.907  -0.241   3.995
   77   1HB   LEU  12          1HB       LEU  12   3.216   1.248   6.301
   78   2HB   LEU  12          2HB       LEU  12   3.850  -0.165   5.472
   79    HG   LEU  12           HG       LEU  12   3.837   2.674   4.621
   80   1HD1  LEU  12          1HD1      LEU  12   5.584   0.235   4.051
   81   2HD1  LEU  12          2HD1      LEU  12   5.901   1.807   3.364
   82   3HD1  LEU  12          3HD1      LEU  12   5.936   1.614   5.122
   83   1HD2  LEU  12          1HD2      LEU  12   3.312   0.517   2.557
   84   2HD2  LEU  12          2HD2      LEU  12   2.376   1.981   2.883
   85   3HD2  LEU  12          3HD2      LEU  12   3.987   2.095   2.182
   86    H    THR  13           H        THR  13   0.403   0.551   7.151
   87    HA   THR  13           HA       THR  13   0.745  -2.068   8.209
   88    HB   THR  13           HB       THR  13  -1.574  -0.115   8.536
   89    HG1  THR  13           HG1      THR  13   0.710  -0.611  10.175
   90   1HG2  THR  13          1HG2      THR  13  -2.182  -2.447   9.264
   91   2HG2  THR  13          2HG2      THR  13  -0.798  -2.427  10.375
   92   3HG2  THR  13          3HG2      THR  13  -2.157  -1.287  10.569
   93    H    LEU  14           H        LEU  14  -1.890  -0.771   6.122
   94    HA   LEU  14           HA       LEU  14  -3.286  -3.246   6.111
   95   1HB   LEU  14          1HB       LEU  14  -3.860  -0.743   5.327
   96   2HB   LEU  14          2HB       LEU  14  -3.514  -1.418   3.742
   97    HG   LEU  14           HG       LEU  14  -5.550  -2.239   5.882
   98   1HD1  LEU  14          1HD1      LEU  14  -5.974  -0.163   4.540
   99   2HD1  LEU  14          2HD1      LEU  14  -5.965  -1.154   3.072
  100   3HD1  LEU  14          3HD1      LEU  14  -7.205  -1.424   4.310
  101   1HD2  LEU  14          1HD2      LEU  14  -4.952  -3.471   3.178
  102   2HD2  LEU  14          2HD2      LEU  14  -4.876  -4.265   4.781
  103   3HD2  LEU  14          3HD2      LEU  14  -6.441  -3.736   4.124
  104    H    CYS  15           H        CYS  15  -0.418  -2.154   4.402
  105    HA   CYS  15           HA       CYS  15  -0.655  -3.959   2.150
  106   1HB   CYS  15          1HB       CYS  15   1.689  -2.451   3.345
  107   2HB   CYS  15          2HB       CYS  15   1.946  -3.722   2.179
  108    H    GLN  16           H        GLN  16   0.171  -4.467   5.513
  109    HA   GLN  16           HA       GLN  16   1.802  -6.803   5.113
  110   1HB   GLN  16          1HB       GLN  16   0.131  -6.057   7.529
  111   2HB   GLN  16          2HB       GLN  16   1.471  -7.214   7.467
  112   1HG   GLN  16          1HG       GLN  16   3.005  -5.366   6.744
  113   2HG   GLN  16          2HG       GLN  16   1.677  -4.221   6.918
  114   2HE2  GLN  16          2HE2      GLN  16   3.748  -6.485   8.762
  115   1HE2  GLN  16          1HE2      GLN  16   3.561  -5.606  10.270
  116    H    ASP  17           H        ASP  17  -1.648  -6.292   4.811
  117    HA   ASP  17           HA       ASP  17  -2.351  -9.103   5.095
  118   1HB   ASP  17          1HB       ASP  17  -3.792  -6.727   3.814
  119   2HB   ASP  17          2HB       ASP  17  -4.399  -8.389   3.877
  120    H    CYS  18           H        CYS  18  -1.040  -7.041   2.547
  121    HA   CYS  18           HA       CYS  18  -1.984  -8.725   0.342
  122   1HB   CYS  18          1HB       CYS  18  -1.702  -6.426  -0.100
  123   2HB   CYS  18          2HB       CYS  18  -0.018  -6.402   0.445
  124    H    GLU  19           H        GLU  19  -1.005 -10.434  -0.463
  125    HA   GLU  19           HA       GLU  19   0.788 -12.079   0.614
  126   1HB   GLU  19          1HB       GLU  19  -0.385 -12.715  -1.305
  127   2HB   GLU  19          2HB       GLU  19   0.286 -11.399  -2.246
  128   1HG   GLU  19          1HG       GLU  19   1.158 -13.664  -2.851
  129   2HG   GLU  19          2HG       GLU  19   2.399 -12.478  -2.481
  130    H    ASN  20           H        ASN  20   1.862  -9.734  -1.903
  131    HA   ASN  20           HA       ASN  20   4.626  -9.914  -0.869
  132   1HB   ASN  20          1HB       ASN  20   5.117  -8.594  -2.888
  133   2HB   ASN  20          2HB       ASN  20   4.660 -10.247  -3.139
  134   2HD2  ASN  20          2HD2      ASN  20   2.704  -7.174  -2.847
  135   1HD2  ASN  20          1HD2      ASN  20   1.897  -7.446  -4.394
  136    H    THR  21           H        THR  21   3.675  -8.893   1.119
  137    HA   THR  21           HA       THR  21   2.905  -6.359   1.473
  138    HB   THR  21           HB       THR  21   5.078  -7.735   2.972
  139    HG1  THR  21           HG1      THR  21   2.348  -8.118   2.713
  140   1HG2  THR  21          1HG2      THR  21   3.201  -5.515   3.876
  141   2HG2  THR  21          2HG2      THR  21   4.159  -6.534   4.967
  142   3HG2  THR  21          3HG2      THR  21   4.966  -5.461   3.824
  143    HA   PRO  22           HA       PRO  22   7.071  -4.113   1.013
  144   1HB   PRO  22          1HB       PRO  22   9.158  -5.283  -0.425
  145   2HB   PRO  22          2HB       PRO  22   8.987  -5.381   1.348
  146   1HG   PRO  22          1HG       PRO  22   8.064  -7.406  -0.716
  147   2HG   PRO  22          2HG       PRO  22   9.013  -7.714   0.774
  148   1HD   PRO  22          1HD       PRO  22   6.374  -8.133   0.749
  149   2HD   PRO  22          2HD       PRO  22   7.124  -7.314   2.145
  150    H    ILE  23           H        ILE  23   5.995  -6.227  -1.653
  151    HA   ILE  23           HA       ILE  23   6.636  -4.369  -3.778
  152    HB   ILE  23           HB       ILE  23   4.703  -6.580  -3.530
  153   1HG1  ILE  23          1HG1      ILE  23   7.215  -7.034  -3.613
  154   2HG1  ILE  23          2HG1      ILE  23   6.194  -7.778  -4.828
  155   1HG2  ILE  23          1HG2      ILE  23   5.117  -4.724  -5.854
  156   2HG2  ILE  23          2HG2      ILE  23   4.473  -6.381  -6.048
  157   3HG2  ILE  23          3HG2      ILE  23   3.599  -5.196  -5.074
  158   1HD1  ILE  23          1HD1      ILE  23   7.804  -5.291  -5.353
  159   2HD1  ILE  23          2HD1      ILE  23   8.279  -6.942  -5.780
  160   3HD1  ILE  23          3HD1      ILE  23   6.850  -6.234  -6.534
  161    H    CYS  24           H        CYS  24   3.857  -5.042  -1.629
  162    HA   CYS  24           HA       CYS  24   2.050  -3.105  -2.751
  163   1HB   CYS  24          1HB       CYS  24   1.302  -4.939  -1.389
  164   2HB   CYS  24          2HB       CYS  24   2.150  -4.363   0.020
  165    H    GLU  25           H        GLU  25   4.431  -3.006  -0.080
  166    HA   GLU  25           HA       GLU  25   4.017  -0.349   0.728
  167   1HB   GLU  25          1HB       GLU  25   6.407  -2.202   0.754
  168   2HB   GLU  25          2HB       GLU  25   6.472  -0.723   1.596
  169   1HG   GLU  25          1HG       GLU  25   4.391  -1.371   2.897
  170   2HG   GLU  25          2HG       GLU  25   4.468  -2.956   2.169
  171    H    LEU  26           H        LEU  26   6.158  -1.681  -1.814
  172    HA   LEU  26           HA       LEU  26   7.335   0.768  -2.641
  173   1HB   LEU  26          1HB       LEU  26   8.085  -1.494  -3.244
  174   2HB   LEU  26          2HB       LEU  26   6.721  -1.670  -4.325
  175    HG   LEU  26           HG       LEU  26   9.010  -0.963  -5.161
  176   1HD1  LEU  26          1HD1      LEU  26   7.014  -1.113  -6.600
  177   2HD1  LEU  26          2HD1      LEU  26   6.595   0.567  -6.210
  178   3HD1  LEU  26          3HD1      LEU  26   8.082   0.206  -7.100
  179   1HD2  LEU  26          1HD2      LEU  26   9.437   0.965  -3.715
  180   2HD2  LEU  26          2HD2      LEU  26   9.542   1.357  -5.438
  181   3HD2  LEU  26          3HD2      LEU  26   8.123   1.859  -4.518
  182    H    ALA  27           H        ALA  27   4.440  -0.972  -3.873
  183    HA   ALA  27           HA       ALA  27   3.649   0.911  -5.796
  184   1HB   ALA  27          1HB       ALA  27   2.690  -1.351  -5.594
  185   2HB   ALA  27          2HB       ALA  27   1.426  -0.103  -5.623
  186   3HB   ALA  27          3HB       ALA  27   1.872  -0.886  -4.092
  187    H    VAL  28           H        VAL  28   2.706   0.668  -2.347
  188    HA   VAL  28           HA       VAL  28   0.997   2.863  -2.256
  189    HB   VAL  28           HB       VAL  28   2.578   1.423  -0.179
  190   1HG1  VAL  28          1HG1      VAL  28   0.976   3.972   0.150
  191   2HG1  VAL  28          2HG1      VAL  28   0.967   2.763   1.437
  192   3HG1  VAL  28          3HG1      VAL  28   2.506   3.429   0.894
  193   1HG2  VAL  28          1HG2      VAL  28   0.521   0.377  -1.167
  194   2HG2  VAL  28          2HG2      VAL  28   0.324   0.762   0.564
  195   3HG2  VAL  28          3HG2      VAL  28  -0.372   1.828  -0.658
  196    H    LYS  29           H        LYS  29   4.632   2.823  -1.565
  197    HA   LYS  29           HA       LYS  29   4.823   5.544  -1.081
  198   1HB   LYS  29          1HB       LYS  29   6.734   3.504  -2.460
  199   2HB   LYS  29          2HB       LYS  29   7.061   5.192  -2.390
  200   1HG   LYS  29          1HG       LYS  29   6.912   5.075   0.102
  201   2HG   LYS  29          2HG       LYS  29   6.867   3.294  -0.051
  202   1HD   LYS  29          1HD       LYS  29   9.074   3.306  -1.003
  203   2HD   LYS  29          2HD       LYS  29   9.000   5.044  -1.338
  204   1HE   LYS  29          1HE       LYS  29   8.942   5.590   1.061
  205   2HE   LYS  29          2HE       LYS  29   9.025   3.865   1.482
  206   1HZ   LYS  29          1HZ       LYS  29  11.002   5.120  -0.226
  207   2HZ   LYS  29          2HZ       LYS  29  11.189   5.146   1.417
  208   3HZ   LYS  29          3HZ       LYS  29  11.084   3.699   0.629
  209    H    GLY  30           H        GLY  30   4.087   3.988  -4.149
  210   1HA   GLY  30          1HA       GLY  30   4.120   4.878  -6.308
  211   2HA   GLY  30          2HA       GLY  30   4.628   6.454  -5.698
  212    H    SER  31           H        SER  31   2.066   5.236  -3.804
  213    HA   SER  31           HA       SER  31  -0.085   6.261  -5.603
  214   1HB   SER  31          1HB       SER  31  -0.357   4.613  -3.070
  215   2HB   SER  31          2HB       SER  31  -1.576   4.923  -4.315
  216    HG   SER  31           HG       SER  31   0.899   3.549  -4.700
  217    H    CYS  32           H        CYS  32   1.625   6.958  -2.607
  218    HA   CYS  32           HA       CYS  32   0.166   9.486  -2.361
  219   1HB   CYS  32          1HB       CYS  32   0.262   7.332  -0.256
  220   2HB   CYS  32          2HB       CYS  32   0.068   9.004   0.228
  221    HA   PRO  33           HA       PRO  33   4.428  10.451  -1.698
  222   1HB   PRO  33          1HB       PRO  33   4.321  12.755  -0.212
  223   2HB   PRO  33          2HB       PRO  33   3.944  12.667  -1.954
  224   1HG   PRO  33          1HG       PRO  33   2.000  12.627   0.362
  225   2HG   PRO  33          2HG       PRO  33   1.913  13.590  -1.144
  226   1HD   PRO  33          1HD       PRO  33   0.526  11.276  -0.839
  227   2HD   PRO  33          2HD       PRO  33   1.262  11.711  -2.410
  228    HA   PRO  34           HA       PRO  34   4.862   8.626   2.482
  229   1HB   PRO  34          1HB       PRO  34   7.773   8.781   1.712
  230   2HB   PRO  34          2HB       PRO  34   6.894   7.393   2.400
  231   1HG   PRO  34          1HG       PRO  34   7.541   7.393  -0.232
  232   2HG   PRO  34          2HG       PRO  34   5.886   6.914   0.305
  233   1HD   PRO  34          1HD       PRO  34   6.706   9.622  -0.729
  234   2HD   PRO  34          2HD       PRO  34   5.412   8.527  -1.299
  235    HA   PRO  35           HA       PRO  35   5.933   8.700   4.634
  236   1HB   PRO  35          1HB       PRO  35   5.311   9.902   6.992
  237   2HB   PRO  35          2HB       PRO  35   6.991   9.827   6.342
  238   1HG   PRO  35          1HG       PRO  35   5.009  12.116   6.137
  239   2HG   PRO  35          2HG       PRO  35   6.727  12.187   6.666
  240   1HD   PRO  35          1HD       PRO  35   5.973  12.754   4.096
  241   2HD   PRO  35          2HD       PRO  35   7.500  11.898   4.454
  242    H    TRP  36           H        TRP  36   4.086   7.621   5.440
  243    HA   TRP  36           HA       TRP  36   1.523   8.674   4.420
  244   1HB   TRP  36          1HB       TRP  36   2.112   5.984   5.638
  245   2HB   TRP  36          2HB       TRP  36   0.675   6.476   4.730
  246    HD1  TRP  36           HD1      TRP  36   0.921   6.485   2.042
  247    HE1  TRP  36           HE1      TRP  36   2.675   5.714   0.433
  248    HE3  TRP  36           HE3      TRP  36   4.692   5.546   5.392
  249    HZ2  TRP  36           HZ2      TRP  36   5.017   4.099   0.700
  250    HZ3  TRP  36           HZ3      TRP  36   6.712   4.370   4.643
  251    HH2  TRP  36           HH2      TRP  36   6.917   3.635   2.294
  252    H    SER  37           H        SER  37   2.007  10.380   6.157
  253    HA   SER  37           HA       SER  37   0.894  11.479   7.796
  254   1HB   SER  37          1HB       SER  37  -0.351   8.934   8.884
  255   2HB   SER  37          2HB       SER  37  -0.868  10.603   9.081
  256    HG   SER  37           HG       SER  37  -1.343  10.643   6.812

  No H/Q in entry =         256
  Start of MODEL    9
    1    H1   ASP   1           H1       ASP   1  -6.938  -7.215  -4.948
    2    H2   ASP   1           H2       ASP   1  -7.903  -8.531  -5.314
    3    H3   ASP   1           H3       ASP   1  -8.622  -7.136  -4.828
    4    HA   ASP   1           HA       ASP   1  -8.550  -8.653  -3.015
    5   1HB   ASP   1          1HB       ASP   1  -6.488  -9.698  -2.300
    6   2HB   ASP   1          2HB       ASP   1  -6.532  -9.882  -4.051
    7    H    ILE   2           H        ILE   2  -6.609  -8.164  -1.052
    8    HA   ILE   2           HA       ILE   2  -7.095  -5.519  -0.055
    9    HB   ILE   2           HB       ILE   2  -6.782  -7.642   1.170
   10   1HG1  ILE   2          1HG1      ILE   2  -6.797  -6.067   2.665
   11   2HG1  ILE   2          2HG1      ILE   2  -5.353  -7.019   2.980
   12   1HG2  ILE   2          1HG2      ILE   2  -4.690  -8.489  -0.058
   13   2HG2  ILE   2          2HG2      ILE   2  -3.823  -7.273   0.914
   14   3HG2  ILE   2          3HG2      ILE   2  -4.658  -8.616   1.701
   15   1HD1  ILE   2          1HD1      ILE   2  -4.024  -5.224   1.808
   16   2HD1  ILE   2          2HD1      ILE   2  -5.545  -4.265   1.823
   17   3HD1  ILE   2          3HD1      ILE   2  -4.811  -4.775   3.343
   18    H    CYS   3           H        CYS   3  -4.223  -6.937  -1.815
   19    HA   CYS   3           HA       CYS   3  -2.452  -4.808  -1.272
   20   1HB   CYS   3          1HB       CYS   3  -2.743  -6.836  -3.428
   21   2HB   CYS   3          2HB       CYS   3  -2.294  -5.284  -4.106
   22    H    ASP   4           H        ASP   4  -5.057  -4.922  -3.649
   23    HA   ASP   4           HA       ASP   4  -4.461  -2.343  -4.756
   24   1HB   ASP   4          1HB       ASP   4  -5.815  -4.193  -5.803
   25   2HB   ASP   4          2HB       ASP   4  -7.153  -3.767  -4.716
   26    H    ILE   5           H        ILE   5  -6.352  -3.435  -2.016
   27    HA   ILE   5           HA       ILE   5  -7.803  -1.025  -1.454
   28    HB   ILE   5           HB       ILE   5  -6.969  -3.280   0.419
   29   1HG1  ILE   5          1HG1      ILE   5  -9.441  -2.807  -1.246
   30   2HG1  ILE   5          2HG1      ILE   5  -8.261  -4.065  -1.467
   31   1HG2  ILE   5          1HG2      ILE   5  -7.626  -1.221   1.612
   32   2HG2  ILE   5          2HG2      ILE   5  -9.218  -1.388   0.810
   33   3HG2  ILE   5          3HG2      ILE   5  -8.618  -2.646   1.918
   34   1HD1  ILE   5          1HD1      ILE   5  -8.909  -4.809   0.967
   35   2HD1  ILE   5          2HD1      ILE   5 -10.335  -3.782   0.705
   36   3HD1  ILE   5          3HD1      ILE   5 -10.009  -5.154  -0.379
   37    H    ALA   6           H        ALA   6  -4.869  -2.508  -0.041
   38    HA   ALA   6           HA       ALA   6  -4.170  -0.438   1.739
   39   1HB   ALA   6          1HB       ALA   6  -1.977  -1.566   1.736
   40   2HB   ALA   6          2HB       ALA   6  -3.270  -2.780   1.742
   41   3HB   ALA   6          3HB       ALA   6  -2.407  -2.433   0.239
   42    H    ILE   7           H        ILE   7  -3.316  -0.992  -1.671
   43    HA   ILE   7           HA       ILE   7  -1.620   1.285  -1.976
   44    HB   ILE   7           HB       ILE   7  -3.168  -0.423  -3.929
   45   1HG1  ILE   7          1HG1      ILE   7  -0.177  -0.218  -3.325
   46   2HG1  ILE   7          2HG1      ILE   7  -1.196  -1.352  -2.474
   47   1HG2  ILE   7          1HG2      ILE   7  -2.695   1.860  -4.918
   48   2HG2  ILE   7          2HG2      ILE   7  -0.974   1.580  -4.560
   49   3HG2  ILE   7          3HG2      ILE   7  -1.823   0.560  -5.719
   50   1HD1  ILE   7          1HD1      ILE   7  -1.869  -2.406  -4.625
   51   2HD1  ILE   7          2HD1      ILE   7  -0.715  -1.363  -5.471
   52   3HD1  ILE   7          3HD1      ILE   7  -0.133  -2.524  -4.264
   53    H    ALA   8           H        ALA   8  -5.149   0.854  -2.682
   54    HA   ALA   8           HA       ALA   8  -5.622   3.485  -3.581
   55   1HB   ALA   8          1HB       ALA   8  -7.275   1.623  -3.718
   56   2HB   ALA   8          2HB       ALA   8  -7.466   1.669  -1.957
   57   3HB   ALA   8          3HB       ALA   8  -7.958   3.059  -2.931
   58    H    GLN   9           H        GLN   9  -5.494   2.092  -0.376
   59    HA   GLN   9           HA       GLN   9  -6.384   4.395   1.130
   60   1HB   GLN   9          1HB       GLN   9  -5.012   1.752   1.755
   61   2HB   GLN   9          2HB       GLN   9  -5.417   2.877   3.019
   62   1HG   GLN   9          1HG       GLN   9  -7.594   1.965   1.108
   63   2HG   GLN   9          2HG       GLN   9  -7.019   0.916   2.414
   64   2HE2  GLN   9          2HE2      GLN   9  -9.190   1.026   3.306
   65   1HE2  GLN   9          1HE2      GLN   9  -9.633   2.397   4.291
   66    H    CYS  10           H        CYS  10  -3.272   3.447  -0.258
   67    HA   CYS  10           HA       CYS  10  -1.248   3.674   0.315
   68   1HB   CYS  10          1HB       CYS  10  -1.186   6.366   1.318
   69   2HB   CYS  10          2HB       CYS  10  -0.393   5.576  -0.059
   70    H    SER  11           H        SER  11  -1.868   2.134   1.937
   71    HA   SER  11           HA       SER  11  -1.216   3.001   4.734
   72   1HB   SER  11          1HB       SER  11  -3.623   2.751   4.435
   73   2HB   SER  11          2HB       SER  11  -3.395   1.081   3.875
   74    HG   SER  11           HG       SER  11  -3.936   1.297   6.071
   75    H    LEU  12           H        LEU  12   0.819   2.269   4.872
   76    HA   LEU  12           HA       LEU  12   1.775  -0.151   3.688
   77   1HB   LEU  12          1HB       LEU  12   2.816   1.462   6.013
   78   2HB   LEU  12          2HB       LEU  12   3.685   0.145   5.213
   79    HG   LEU  12           HG       LEU  12   2.833   2.781   3.886
   80   1HD1  LEU  12          1HD1      LEU  12   5.356   1.673   5.095
   81   2HD1  LEU  12          2HD1      LEU  12   5.466   2.789   3.737
   82   3HD1  LEU  12          3HD1      LEU  12   4.659   3.306   5.234
   83   1HD2  LEU  12          1HD2      LEU  12   4.532   0.494   2.824
   84   2HD2  LEU  12          2HD2      LEU  12   2.907   0.903   2.240
   85   3HD2  LEU  12          3HD2      LEU  12   4.247   2.024   1.996
   86    H    THR  13           H        THR  13   0.323   0.546   6.920
   87    HA   THR  13           HA       THR  13   0.999  -1.993   7.940
   88    HB   THR  13           HB       THR  13  -1.575  -0.702   8.829
   89    HG1  THR  13           HG1      THR  13  -0.612   1.163   8.809
   90   1HG2  THR  13          1HG2      THR  13  -0.543  -2.629  10.036
   91   2HG2  THR  13          2HG2      THR  13   0.936  -1.681  10.296
   92   3HG2  THR  13          3HG2      THR  13  -0.586  -1.178  11.050
   93    H    LEU  14           H        LEU  14  -2.010  -0.921   6.200
   94    HA   LEU  14           HA       LEU  14  -3.201  -3.443   6.274
   95   1HB   LEU  14          1HB       LEU  14  -3.851  -0.858   5.356
   96   2HB   LEU  14          2HB       LEU  14  -3.720  -1.773   3.874
   97    HG   LEU  14           HG       LEU  14  -5.126  -3.536   5.218
   98   1HD1  LEU  14          1HD1      LEU  14  -5.032  -2.232   7.305
   99   2HD1  LEU  14          2HD1      LEU  14  -5.873  -0.893   6.527
  100   3HD1  LEU  14          3HD1      LEU  14  -6.715  -2.438   6.747
  101   1HD2  LEU  14          1HD2      LEU  14  -5.866  -2.392   3.111
  102   2HD2  LEU  14          2HD2      LEU  14  -7.199  -2.583   4.267
  103   3HD2  LEU  14          3HD2      LEU  14  -6.406  -1.006   4.067
  104    H    CYS  15           H        CYS  15  -0.575  -2.136   4.290
  105    HA   CYS  15           HA       CYS  15  -0.793  -4.038   2.150
  106   1HB   CYS  15          1HB       CYS  15   1.461  -2.308   3.137
  107   2HB   CYS  15          2HB       CYS  15   1.848  -3.679   2.137
  108    H    GLN  16           H        GLN  16   0.308  -4.459   5.482
  109    HA   GLN  16           HA       GLN  16   1.864  -6.830   4.899
  110   1HB   GLN  16          1HB       GLN  16   0.507  -6.078   7.508
  111   2HB   GLN  16          2HB       GLN  16   1.765  -7.296   7.212
  112   1HG   GLN  16          1HG       GLN  16   3.108  -5.263   6.179
  113   2HG   GLN  16          2HG       GLN  16   1.984  -4.265   7.104
  114   2HE2  GLN  16          2HE2      GLN  16   4.614  -4.009   7.692
  115   1HE2  GLN  16          1HE2      GLN  16   5.056  -4.913   9.131
  116    H    ASP  17           H        ASP  17  -1.594  -6.232   5.049
  117    HA   ASP  17           HA       ASP  17  -2.248  -9.063   5.418
  118   1HB   ASP  17          1HB       ASP  17  -3.813  -6.680   4.397
  119   2HB   ASP  17          2HB       ASP  17  -4.468  -8.318   4.451
  120    H    CYS  18           H        CYS  18  -1.187  -6.967   2.808
  121    HA   CYS  18           HA       CYS  18  -2.232  -8.714   0.742
  122   1HB   CYS  18          1HB       CYS  18  -1.876  -6.426   0.102
  123   2HB   CYS  18          2HB       CYS  18  -0.144  -6.521   0.480
  124    H    GLU  19           H        GLU  19  -1.193 -10.467   0.016
  125    HA   GLU  19           HA       GLU  19   0.733 -12.053   0.922
  126   1HB   GLU  19          1HB       GLU  19  -0.681 -12.411  -1.049
  127   2HB   GLU  19          2HB       GLU  19   0.258 -11.214  -1.905
  128   1HG   GLU  19          1HG       GLU  19   2.301 -12.756  -1.578
  129   2HG   GLU  19          2HG       GLU  19   1.141 -13.968  -1.037
  130    H    ASN  20           H        ASN  20   1.558  -9.692  -1.644
  131    HA   ASN  20           HA       ASN  20   4.409 -10.167  -1.093
  132   1HB   ASN  20          1HB       ASN  20   4.693  -9.078  -3.273
  133   2HB   ASN  20          2HB       ASN  20   3.813 -10.601  -3.313
  134   2HD2  ASN  20          2HD2      ASN  20   3.920  -8.484  -5.349
  135   1HD2  ASN  20          1HD2      ASN  20   2.265  -7.989  -5.603
  136    H    THR  21           H        THR  21   3.807  -8.985   0.942
  137    HA   THR  21           HA       THR  21   3.054  -6.484   1.263
  138    HB   THR  21           HB       THR  21   5.287  -7.722   2.794
  139    HG1  THR  21           HG1      THR  21   2.516  -8.115   2.663
  140   1HG2  THR  21          1HG2      THR  21   3.312  -5.534   3.547
  141   2HG2  THR  21          2HG2      THR  21   4.440  -6.348   4.659
  142   3HG2  THR  21          3HG2      THR  21   5.065  -5.351   3.356
  143    HA   PRO  22           HA       PRO  22   7.033  -4.040   0.787
  144   1HB   PRO  22          1HB       PRO  22   9.230  -5.023  -0.601
  145   2HB   PRO  22          2HB       PRO  22   8.996  -5.137   1.164
  146   1HG   PRO  22          1HG       PRO  22   8.342  -7.225  -0.915
  147   2HG   PRO  22          2HG       PRO  22   9.270  -7.432   0.609
  148   1HD   PRO  22          1HD       PRO  22   6.648  -8.097   0.510
  149   2HD   PRO  22          2HD       PRO  22   7.300  -7.214   1.925
  150    H    ILE  23           H        ILE  23   6.047  -6.168  -1.915
  151    HA   ILE  23           HA       ILE  23   6.548  -4.137  -3.951
  152    HB   ILE  23           HB       ILE  23   5.077  -6.711  -3.815
  153   1HG1  ILE  23          1HG1      ILE  23   7.526  -6.500  -4.367
  154   2HG1  ILE  23          2HG1      ILE  23   6.511  -7.343  -5.538
  155   1HG2  ILE  23          1HG2      ILE  23   4.615  -4.600  -5.936
  156   2HG2  ILE  23          2HG2      ILE  23   4.329  -6.343  -6.176
  157   3HG2  ILE  23          3HG2      ILE  23   3.406  -5.457  -4.958
  158   1HD1  ILE  23          1HD1      ILE  23   7.475  -4.482  -5.900
  159   2HD1  ILE  23          2HD1      ILE  23   8.141  -5.928  -6.674
  160   3HD1  ILE  23          3HD1      ILE  23   6.497  -5.421  -7.047
  161    H    CYS  24           H        CYS  24   3.864  -5.150  -1.842
  162    HA   CYS  24           HA       CYS  24   1.912  -3.291  -2.797
  163   1HB   CYS  24          1HB       CYS  24   1.461  -5.249  -1.353
  164   2HB   CYS  24          2HB       CYS  24   2.191  -4.441   0.011
  165    H    GLU  25           H        GLU  25   4.313  -3.090  -0.169
  166    HA   GLU  25           HA       GLU  25   3.844  -0.519   0.765
  167   1HB   GLU  25          1HB       GLU  25   6.407  -2.110   0.457
  168   2HB   GLU  25          2HB       GLU  25   6.358  -0.659   1.343
  169   1HG   GLU  25          1HG       GLU  25   4.550  -1.682   2.859
  170   2HG   GLU  25          2HG       GLU  25   4.841  -3.199   2.051
  171    H    LEU  26           H        LEU  26   6.001  -1.597  -1.886
  172    HA   LEU  26           HA       LEU  26   7.038   0.927  -2.611
  173   1HB   LEU  26          1HB       LEU  26   7.901  -1.237  -3.322
  174   2HB   LEU  26          2HB       LEU  26   6.511  -1.492  -4.359
  175    HG   LEU  26           HG       LEU  26   8.760  -0.585  -5.238
  176   1HD1  LEU  26          1HD1      LEU  26   6.040   0.454  -6.121
  177   2HD1  LEU  26          2HD1      LEU  26   7.494   0.634  -7.092
  178   3HD1  LEU  26          3HD1      LEU  26   6.891  -0.985  -6.699
  179   1HD2  LEU  26          1HD2      LEU  26   8.928   1.383  -3.754
  180   2HD2  LEU  26          2HD2      LEU  26   9.086   1.732  -5.482
  181   3HD2  LEU  26          3HD2      LEU  26   7.584   2.131  -4.645
  182    H    ALA  27           H        ALA  27   4.191  -0.867  -3.863
  183    HA   ALA  27           HA       ALA  27   3.265   1.125  -5.652
  184   1HB   ALA  27          1HB       ALA  27   1.774  -1.030  -4.138
  185   2HB   ALA  27          2HB       ALA  27   1.106  -0.044  -5.463
  186   3HB   ALA  27          3HB       ALA  27   2.473  -1.138  -5.759
  187    H    VAL  28           H        VAL  28   2.600   0.661  -2.162
  188    HA   VAL  28           HA       VAL  28   0.742   2.739  -1.894
  189    HB   VAL  28           HB       VAL  28   2.525   1.300   0.000
  190   1HG1  VAL  28          1HG1      VAL  28   0.993   3.837   0.656
  191   2HG1  VAL  28          2HG1      VAL  28   1.345   2.612   1.882
  192   3HG1  VAL  28          3HG1      VAL  28   2.673   3.407   1.033
  193   1HG2  VAL  28          1HG2      VAL  28   0.396   0.300  -0.745
  194   2HG2  VAL  28          2HG2      VAL  28   0.349   0.693   0.996
  195   3HG2  VAL  28          3HG2      VAL  28  -0.461   1.735  -0.167
  196    H    LYS  29           H        LYS  29   4.347   2.876  -1.327
  197    HA   LYS  29           HA       LYS  29   4.547   5.655  -1.010
  198   1HB   LYS  29          1HB       LYS  29   6.378   3.467  -1.883
  199   2HB   LYS  29          2HB       LYS  29   6.694   4.962  -2.737
  200   1HG   LYS  29          1HG       LYS  29   6.539   5.922  -0.177
  201   2HG   LYS  29          2HG       LYS  29   7.152   4.293   0.129
  202   1HD   LYS  29          1HD       LYS  29   8.444   6.032  -1.992
  203   2HD   LYS  29          2HD       LYS  29   8.728   6.409  -0.311
  204   1HE   LYS  29          1HE       LYS  29   9.315   3.658  -1.482
  205   2HE   LYS  29          2HE       LYS  29  10.484   4.981  -1.315
  206   1HZ   LYS  29          1HZ       LYS  29   9.936   4.969   1.119
  207   2HZ   LYS  29          2HZ       LYS  29   9.198   3.513   0.894
  208   3HZ   LYS  29          3HZ       LYS  29  10.760   3.682   0.536
  209    H    GLY  30           H        GLY  30   4.419   3.826  -4.068
  210   1HA   GLY  30          1HA       GLY  30   3.706   4.455  -6.161
  211   2HA   GLY  30          2HA       GLY  30   4.551   5.986  -5.884
  212    H    SER  31           H        SER  31   1.865   4.893  -3.840
  213    HA   SER  31           HA       SER  31  -0.138   6.388  -5.358
  214   1HB   SER  31          1HB       SER  31  -0.425   4.885  -2.729
  215   2HB   SER  31          2HB       SER  31  -1.718   5.510  -3.756
  216    HG   SER  31           HG       SER  31   0.263   3.572  -4.453
  217    H    CYS  32           H        CYS  32   1.007   6.529  -1.916
  218    HA   CYS  32           HA       CYS  32   0.548   9.488  -1.981
  219   1HB   CYS  32          1HB       CYS  32   0.475   7.657   0.419
  220   2HB   CYS  32          2HB       CYS  32   0.539   9.389   0.492
  221    HA   PRO  33           HA       PRO  33   5.030   9.185  -1.475
  222   1HB   PRO  33          1HB       PRO  33   5.625  11.734  -0.646
  223   2HB   PRO  33          2HB       PRO  33   5.112  11.382  -2.322
  224   1HG   PRO  33          1HG       PRO  33   3.351  12.258  -0.006
  225   2HG   PRO  33          2HG       PRO  33   3.467  13.044  -1.596
  226   1HD   PRO  33          1HD       PRO  33   1.526  11.269  -1.096
  227   2HD   PRO  33          2HD       PRO  33   2.384  11.186  -2.663
  228    HA   PRO  34           HA       PRO  34   5.287   8.668   3.006
  229   1HB   PRO  34          1HB       PRO  34   7.982   8.741   3.471
  230   2HB   PRO  34          2HB       PRO  34   7.242   7.428   2.534
  231   1HG   PRO  34          1HG       PRO  34   8.569   9.912   1.449
  232   2HG   PRO  34          2HG       PRO  34   8.887   8.225   0.989
  233   1HD   PRO  34          1HD       PRO  34   7.152   9.834  -0.411
  234   2HD   PRO  34          2HD       PRO  34   6.870   8.090  -0.267
  235    HA   PRO  35           HA       PRO  35   5.866   9.111   5.229
  236   1HB   PRO  35          1HB       PRO  35   4.830  10.484   7.344
  237   2HB   PRO  35          2HB       PRO  35   6.566  10.562   6.943
  238   1HG   PRO  35          1HG       PRO  35   4.389  12.537   6.206
  239   2HG   PRO  35          2HG       PRO  35   5.988  12.896   6.906
  240   1HD   PRO  35          1HD       PRO  35   5.449  13.048   4.207
  241   2HD   PRO  35          2HD       PRO  35   7.054  12.595   4.812
  242    H    TRP  36           H        TRP  36   3.891   8.137   6.108
  243    HA   TRP  36           HA       TRP  36   1.364   9.003   4.739
  244   1HB   TRP  36          1HB       TRP  36   2.047   6.257   5.815
  245   2HB   TRP  36          2HB       TRP  36   0.643   6.748   4.871
  246    HD1  TRP  36           HD1      TRP  36   0.794   6.449   2.308
  247    HE1  TRP  36           HE1      TRP  36   2.574   5.750   0.659
  248    HE3  TRP  36           HE3      TRP  36   4.837   6.233   5.474
  249    HZ2  TRP  36           HZ2      TRP  36   5.131   4.473   0.887
  250    HZ3  TRP  36           HZ3      TRP  36   6.988   5.391   4.663
  251    HH2  TRP  36           HH2      TRP  36   7.180   4.480   2.376
  252    H    SER  37           H        SER  37  -0.407   9.465   6.121
  253    HA   SER  37           HA       SER  37  -0.530   8.463   8.810
  254   1HB   SER  37          1HB       SER  37  -0.745  10.795   9.769
  255   2HB   SER  37          2HB       SER  37   0.899  10.272   9.370
  256    HG   SER  37           HG       SER  37   0.366  11.419   7.224

  No H/Q in entry =         256
  Start of MODEL   10
    1    H1   ASP   1           H1       ASP   1  -9.161  -5.890  -4.419
    2    H2   ASP   1           H2       ASP   1  -7.833  -6.618  -5.049
    3    H3   ASP   1           H3       ASP   1  -9.298  -7.368  -5.178
    4    HA   ASP   1           HA       ASP   1  -9.421  -7.762  -2.875
    5   1HB   ASP   1          1HB       ASP   1  -7.651  -9.291  -2.518
    6   2HB   ASP   1          2HB       ASP   1  -7.873  -9.309  -4.263
    7    H    ILE   2           H        ILE   2  -7.687  -7.889  -0.858
    8    HA   ILE   2           HA       ILE   2  -7.531  -5.308   0.132
    9    HB   ILE   2           HB       ILE   2  -7.435  -7.425   1.396
   10   1HG1  ILE   2          1HG1      ILE   2  -5.769  -6.875   3.103
   11   2HG1  ILE   2          2HG1      ILE   2  -5.175  -5.534   2.133
   12   1HG2  ILE   2          1HG2      ILE   2  -5.654  -8.621   0.021
   13   2HG2  ILE   2          2HG2      ILE   2  -4.446  -7.545   0.766
   14   3HG2  ILE   2          3HG2      ILE   2  -5.361  -8.660   1.763
   15   1HD1  ILE   2          1HD1      ILE   2  -8.124  -5.871   2.922
   16   2HD1  ILE   2          2HD1      ILE   2  -6.944  -5.117   3.989
   17   3HD1  ILE   2          3HD1      ILE   2  -7.290  -4.377   2.414
   18    H    CYS   3           H        CYS   3  -5.121  -6.987  -1.911
   19    HA   CYS   3           HA       CYS   3  -2.950  -5.213  -1.180
   20   1HB   CYS   3          1HB       CYS   3  -2.967  -7.562  -2.522
   21   2HB   CYS   3          2HB       CYS   3  -3.142  -6.495  -3.912
   22    H    ASP   4           H        ASP   4  -5.561  -5.093  -3.523
   23    HA   ASP   4           HA       ASP   4  -4.662  -2.586  -4.755
   24   1HB   ASP   4          1HB       ASP   4  -6.100  -3.940  -6.041
   25   2HB   ASP   4          2HB       ASP   4  -7.262  -4.135  -4.745
   26    H    ILE   5           H        ILE   5  -6.936  -3.531  -2.183
   27    HA   ILE   5           HA       ILE   5  -7.886  -0.980  -1.511
   28    HB   ILE   5           HB       ILE   5  -7.239  -3.205   0.439
   29   1HG1  ILE   5          1HG1      ILE   5  -9.752  -2.496  -1.106
   30   2HG1  ILE   5          2HG1      ILE   5  -8.803  -3.911  -1.304
   31   1HG2  ILE   5          1HG2      ILE   5  -7.597  -0.942   1.535
   32   2HG2  ILE   5          2HG2      ILE   5  -9.229  -0.975   0.842
   33   3HG2  ILE   5          3HG2      ILE   5  -8.709  -2.207   2.011
   34   1HD1  ILE   5          1HD1      ILE   5  -9.430  -4.522   1.120
   35   2HD1  ILE   5          2HD1      ILE   5 -10.572  -3.159   1.041
   36   3HD1  ILE   5          3HD1      ILE   5 -10.754  -4.527  -0.062
   37    H    ALA   6           H        ALA   6  -5.015  -2.621  -0.119
   38    HA   ALA   6           HA       ALA   6  -4.209  -0.627   1.669
   39   1HB   ALA   6          1HB       ALA   6  -3.311  -2.979   1.600
   40   2HB   ALA   6          2HB       ALA   6  -2.001  -1.785   1.558
   41   3HB   ALA   6          3HB       ALA   6  -2.513  -2.615   0.070
   42    H    ILE   7           H        ILE   7  -3.448  -1.016  -1.785
   43    HA   ILE   7           HA       ILE   7  -1.713   1.258  -1.938
   44    HB   ILE   7           HB       ILE   7  -3.302  -0.258  -4.021
   45   1HG1  ILE   7          1HG1      ILE   7  -0.308  -0.138  -3.358
   46   2HG1  ILE   7          2HG1      ILE   7  -1.393  -1.428  -2.840
   47   1HG2  ILE   7          1HG2      ILE   7  -2.892   2.122  -4.748
   48   2HG2  ILE   7          2HG2      ILE   7  -1.157   1.838  -4.472
   49   3HG2  ILE   7          3HG2      ILE   7  -2.036   0.942  -5.729
   50   1HD1  ILE   7          1HD1      ILE   7  -1.963  -1.807  -5.268
   51   2HD1  ILE   7          2HD1      ILE   7  -0.618  -0.756  -5.703
   52   3HD1  ILE   7          3HD1      ILE   7  -0.299  -2.240  -4.789
   53    H    ALA   8           H        ALA   8  -5.218   0.917  -2.687
   54    HA   ALA   8           HA       ALA   8  -5.610   3.632  -3.406
   55   1HB   ALA   8          1HB       ALA   8  -7.254   1.913  -3.822
   56   2HB   ALA   8          2HB       ALA   8  -7.404   1.551  -2.101
   57   3HB   ALA   8          3HB       ALA   8  -7.986   3.112  -2.713
   58    H    GLN   9           H        GLN   9  -5.587   2.031  -0.290
   59    HA   GLN   9           HA       GLN   9  -6.458   4.373   1.261
   60   1HB   GLN   9          1HB       GLN   9  -5.962   1.434   1.745
   61   2HB   GLN   9          2HB       GLN   9  -5.770   2.491   3.105
   62   1HG   GLN   9          1HG       GLN   9  -8.064   1.564   2.922
   63   2HG   GLN   9          2HG       GLN   9  -7.991   3.324   2.969
   64   2HE2  GLN   9          2HE2      GLN   9  -7.774   0.868   0.325
   65   1HE2  GLN   9          1HE2      GLN   9  -9.088   1.539  -0.616
   66    H    CYS  10           H        CYS  10  -3.495   3.408  -0.086
   67    HA   CYS  10           HA       CYS  10  -1.423   3.480   0.588
   68   1HB   CYS  10          1HB       CYS  10  -1.428   6.272   1.253
   69   2HB   CYS  10          2HB       CYS  10  -0.533   5.391   0.022
   70    H    SER  11           H        SER  11  -1.907   2.076   2.346
   71    HA   SER  11           HA       SER  11  -0.951   3.181   4.963
   72   1HB   SER  11          1HB       SER  11  -3.378   2.912   5.071
   73   2HB   SER  11          2HB       SER  11  -3.255   1.265   4.446
   74    HG   SER  11           HG       SER  11  -2.350   2.300   6.930
   75    H    LEU  12           H        LEU  12   1.033   2.251   5.215
   76    HA   LEU  12           HA       LEU  12   1.815  -0.169   3.796
   77   1HB   LEU  12          1HB       LEU  12   3.104   1.272   6.167
   78   2HB   LEU  12          2HB       LEU  12   3.787  -0.100   5.293
   79    HG   LEU  12           HG       LEU  12   3.428   2.753   4.287
   80   1HD1  LEU  12          1HD1      LEU  12   5.731   0.747   4.528
   81   2HD1  LEU  12          2HD1      LEU  12   5.870   2.234   3.630
   82   3HD1  LEU  12          3HD1      LEU  12   5.556   2.307   5.375
   83   1HD2  LEU  12          1HD2      LEU  12   3.939   0.228   2.729
   84   2HD2  LEU  12          2HD2      LEU  12   2.607   1.348   2.462
   85   3HD2  LEU  12          3HD2      LEU  12   4.257   1.847   2.062
   86    H    THR  13           H        THR  13   0.583   0.546   7.062
   87    HA   THR  13           HA       THR  13   0.970  -2.045   8.079
   88    HB   THR  13           HB       THR  13  -1.399  -0.192   8.593
   89    HG1  THR  13           HG1      THR  13   1.215  -0.198   9.740
   90   1HG2  THR  13          1HG2      THR  13  -1.583  -2.386   9.708
   91   2HG2  THR  13          2HG2      THR  13   0.006  -2.158  10.452
   92   3HG2  THR  13          3HG2      THR  13  -1.342  -1.084  10.881
   93    H    LEU  14           H        LEU  14  -1.660  -0.844   5.880
   94    HA   LEU  14           HA       LEU  14  -3.157  -3.235   6.163
   95   1HB   LEU  14          1HB       LEU  14  -3.929  -0.872   5.775
   96   2HB   LEU  14          2HB       LEU  14  -3.195  -0.963   4.165
   97    HG   LEU  14           HG       LEU  14  -4.607  -2.520   3.410
   98   1HD1  LEU  14          1HD1      LEU  14  -5.520  -2.722   6.282
   99   2HD1  LEU  14          2HD1      LEU  14  -6.578  -3.240   4.949
  100   3HD1  LEU  14          3HD1      LEU  14  -5.001  -4.042   5.190
  101   1HD2  LEU  14          1HD2      LEU  14  -5.456  -0.149   3.521
  102   2HD2  LEU  14          2HD2      LEU  14  -6.804  -1.303   3.639
  103   3HD2  LEU  14          3HD2      LEU  14  -6.189  -0.505   5.097
  104    H    CYS  15           H        CYS  15  -0.340  -2.271   4.327
  105    HA   CYS  15           HA       CYS  15  -0.727  -4.059   2.058
  106   1HB   CYS  15          1HB       CYS  15   1.757  -2.746   3.234
  107   2HB   CYS  15          2HB       CYS  15   1.847  -3.958   1.988
  108    H    GLN  16           H        GLN  16   0.143  -4.523   5.409
  109    HA   GLN  16           HA       GLN  16   1.778  -6.847   5.064
  110   1HB   GLN  16          1HB       GLN  16   0.106  -5.933   7.408
  111   2HB   GLN  16          2HB       GLN  16   1.395  -7.145   7.479
  112   1HG   GLN  16          1HG       GLN  16   3.069  -5.536   6.796
  113   2HG   GLN  16          2HG       GLN  16   1.878  -4.275   6.493
  114   2HE2  GLN  16          2HE2      GLN  16   4.047  -3.780   8.151
  115   1HE2  GLN  16          1HE2      GLN  16   3.430  -3.612   9.792
  116    H    ASP  17           H        ASP  17  -1.700  -6.389   5.003
  117    HA   ASP  17           HA       ASP  17  -2.401  -9.199   5.267
  118   1HB   ASP  17          1HB       ASP  17  -3.870  -6.731   4.272
  119   2HB   ASP  17          2HB       ASP  17  -4.577  -8.340   4.259
  120    H    CYS  18           H        CYS  18  -1.055  -7.241   2.725
  121    HA   CYS  18           HA       CYS  18  -2.057  -8.974   0.556
  122   1HB   CYS  18          1HB       CYS  18  -1.919  -6.728  -0.035
  123   2HB   CYS  18          2HB       CYS  18  -0.236  -6.549   0.479
  124    H    GLU  19           H        GLU  19  -0.975 -10.589  -0.221
  125    HA   GLU  19           HA       GLU  19   0.955 -12.126   0.778
  126   1HB   GLU  19          1HB       GLU  19  -0.373 -12.617  -1.191
  127   2HB   GLU  19          2HB       GLU  19   0.530 -11.432  -2.097
  128   1HG   GLU  19          1HG       GLU  19   2.244 -13.548  -0.880
  129   2HG   GLU  19          2HG       GLU  19   1.078 -14.118  -2.094
  130    H    ASN  20           H        ASN  20   1.831  -9.708  -1.748
  131    HA   ASN  20           HA       ASN  20   4.646  -9.890  -0.841
  132   1HB   ASN  20          1HB       ASN  20   5.046  -8.620  -2.907
  133   2HB   ASN  20          2HB       ASN  20   4.580 -10.290  -3.084
  134   2HD2  ASN  20          2HD2      ASN  20   3.098 -10.695  -4.619
  135   1HD2  ASN  20          1HD2      ASN  20   2.006  -9.514  -5.327
  136    H    THR  21           H        THR  21   3.653  -8.823   1.116
  137    HA   THR  21           HA       THR  21   2.872  -6.333   1.491
  138    HB   THR  21           HB       THR  21   5.148  -7.584   2.954
  139    HG1  THR  21           HG1      THR  21   2.428  -8.099   2.742
  140   1HG2  THR  21          1HG2      THR  21   3.139  -5.472   3.838
  141   2HG2  THR  21          2HG2      THR  21   4.266  -6.346   4.906
  142   3HG2  THR  21          3HG2      THR  21   4.885  -5.258   3.662
  143    HA   PRO  22           HA       PRO  22   6.859  -3.929   0.821
  144   1HB   PRO  22          1HB       PRO  22   9.129  -4.899  -0.268
  145   2HB   PRO  22          2HB       PRO  22   8.661  -5.257   1.427
  146   1HG   PRO  22          1HG       PRO  22   8.107  -6.997  -0.977
  147   2HG   PRO  22          2HG       PRO  22   8.990  -7.452   0.517
  148   1HD   PRO  22          1HD       PRO  22   6.376  -7.990   0.308
  149   2HD   PRO  22          2HD       PRO  22   7.026  -7.309   1.825
  150    H    ILE  23           H        ILE  23   5.826  -6.095  -1.806
  151    HA   ILE  23           HA       ILE  23   6.598  -4.239  -3.945
  152    HB   ILE  23           HB       ILE  23   4.698  -6.507  -3.725
  153   1HG1  ILE  23          1HG1      ILE  23   7.430  -6.500  -3.986
  154   2HG1  ILE  23          2HG1      ILE  23   6.346  -7.775  -4.455
  155   1HG2  ILE  23          1HG2      ILE  23   3.628  -4.995  -5.276
  156   2HG2  ILE  23          2HG2      ILE  23   5.125  -4.821  -6.205
  157   3HG2  ILE  23          3HG2      ILE  23   4.272  -6.385  -6.136
  158   1HD1  ILE  23          1HD1      ILE  23   6.340  -7.009  -6.789
  159   2HD1  ILE  23          2HD1      ILE  23   7.418  -5.662  -6.325
  160   3HD1  ILE  23          3HD1      ILE  23   7.968  -7.338  -6.189
  161    H    CYS  24           H        CYS  24   3.778  -5.041  -1.902
  162    HA   CYS  24           HA       CYS  24   2.055  -2.966  -2.858
  163   1HB   CYS  24          1HB       CYS  24   1.177  -4.825  -1.710
  164   2HB   CYS  24          2HB       CYS  24   2.072  -4.493  -0.240
  165    H    GLU  25           H        GLU  25   4.472  -3.006  -0.194
  166    HA   GLU  25           HA       GLU  25   4.089  -0.415   0.757
  167   1HB   GLU  25          1HB       GLU  25   6.716  -1.919   0.329
  168   2HB   GLU  25          2HB       GLU  25   6.633  -0.468   1.203
  169   1HG   GLU  25          1HG       GLU  25   5.297  -1.404   2.989
  170   2HG   GLU  25          2HG       GLU  25   5.226  -2.955   2.178
  171    H    LEU  26           H        LEU  26   6.163  -1.519  -1.892
  172    HA   LEU  26           HA       LEU  26   7.194   0.997  -2.609
  173   1HB   LEU  26          1HB       LEU  26   7.961  -1.337  -3.304
  174   2HB   LEU  26          2HB       LEU  26   6.624  -1.436  -4.424
  175    HG   LEU  26           HG       LEU  26   8.468   0.920  -4.654
  176   1HD1  LEU  26          1HD1      LEU  26   9.116  -1.901  -5.580
  177   2HD1  LEU  26          2HD1      LEU  26   9.996  -0.433  -6.069
  178   3HD1  LEU  26          3HD1      LEU  26  10.005  -0.951  -4.372
  179   1HD2  LEU  26          1HD2      LEU  26   6.967  -0.847  -6.643
  180   2HD2  LEU  26          2HD2      LEU  26   6.560   0.823  -6.216
  181   3HD2  LEU  26          3HD2      LEU  26   8.046   0.465  -7.106
  182    H    ALA  27           H        ALA  27   4.365  -0.752  -3.885
  183    HA   ALA  27           HA       ALA  27   3.582   1.253  -5.738
  184   1HB   ALA  27          1HB       ALA  27   2.730  -1.067  -5.771
  185   2HB   ALA  27          2HB       ALA  27   1.426   0.138  -5.742
  186   3HB   ALA  27          3HB       ALA  27   1.842  -0.763  -4.262
  187    H    VAL  28           H        VAL  28   2.640   0.732  -2.318
  188    HA   VAL  28           HA       VAL  28   0.840   2.866  -2.058
  189    HB   VAL  28           HB       VAL  28   2.534   1.357  -0.127
  190   1HG1  VAL  28          1HG1      VAL  28   1.016   3.909   0.398
  191   2HG1  VAL  28          2HG1      VAL  28   1.079   2.670   1.651
  192   3HG1  VAL  28          3HG1      VAL  28   2.589   3.333   1.015
  193   1HG2  VAL  28          1HG2      VAL  28   0.407   0.372  -1.013
  194   2HG2  VAL  28          2HG2      VAL  28   0.344   0.678   0.739
  195   3HG2  VAL  28          3HG2      VAL  28  -0.444   1.793  -0.366
  196    H    LYS  29           H        LYS  29   4.485   2.955  -1.321
  197    HA   LYS  29           HA       LYS  29   4.523   5.674  -0.976
  198   1HB   LYS  29          1HB       LYS  29   6.369   3.582  -0.954
  199   2HB   LYS  29          2HB       LYS  29   6.808   4.357  -2.467
  200   1HG   LYS  29          1HG       LYS  29   6.488   6.515  -0.802
  201   2HG   LYS  29          2HG       LYS  29   6.985   5.304   0.353
  202   1HD   LYS  29          1HD       LYS  29   8.533   5.741  -2.265
  203   2HD   LYS  29          2HD       LYS  29   8.896   6.714  -0.854
  204   1HE   LYS  29          1HE       LYS  29   8.949   3.682  -0.791
  205   2HE   LYS  29          2HE       LYS  29  10.357   4.728  -1.078
  206   1HZ   LYS  29          1HZ       LYS  29   9.985   5.775   1.042
  207   2HZ   LYS  29          2HZ       LYS  29   8.774   4.790   1.436
  208   3HZ   LYS  29          3HZ       LYS  29  10.272   4.197   1.222
  209    H    GLY  30           H        GLY  30   4.560   3.847  -4.019
  210   1HA   GLY  30          1HA       GLY  30   4.316   4.544  -6.188
  211   2HA   GLY  30          2HA       GLY  30   5.084   6.080  -5.760
  212    H    SER  31           H        SER  31   2.192   4.956  -4.050
  213    HA   SER  31           HA       SER  31   0.368   6.461  -5.778
  214   1HB   SER  31          1HB       SER  31  -0.210   4.969  -3.195
  215   2HB   SER  31          2HB       SER  31  -1.375   5.603  -4.363
  216    HG   SER  31           HG       SER  31   0.690   3.702  -4.900
  217    H    CYS  32           H        CYS  32   0.801   6.554  -2.186
  218    HA   CYS  32           HA       CYS  32  -0.024   9.412  -2.312
  219   1HB   CYS  32          1HB       CYS  32   0.228   7.497   0.024
  220   2HB   CYS  32          2HB       CYS  32   0.080   9.216   0.193
  221    HA   PRO  33           HA       PRO  33   4.296  10.437  -1.878
  222   1HB   PRO  33          1HB       PRO  33   4.160  12.965  -0.788
  223   2HB   PRO  33          2HB       PRO  33   3.780  12.589  -2.483
  224   1HG   PRO  33          1HG       PRO  33   1.817  12.881  -0.214
  225   2HG   PRO  33          2HG       PRO  33   1.742  13.631  -1.835
  226   1HD   PRO  33          1HD       PRO  33   0.379  11.362  -1.261
  227   2HD   PRO  33          2HD       PRO  33   1.166  11.556  -2.853
  228    HA   PRO  34           HA       PRO  34   4.423   8.848   2.373
  229   1HB   PRO  34          1HB       PRO  34   7.087   8.275   2.618
  230   2HB   PRO  34          2HB       PRO  34   6.059   7.401   1.460
  231   1HG   PRO  34          1HG       PRO  34   7.745   9.868   0.870
  232   2HG   PRO  34          2HG       PRO  34   7.838   8.303   0.046
  233   1HD   PRO  34          1HD       PRO  34   6.353  10.308  -0.946
  234   2HD   PRO  34          2HD       PRO  34   5.675   8.653  -0.987
  235    HA   PRO  35           HA       PRO  35   5.534   8.397   4.510
  236   1HB   PRO  35          1HB       PRO  35   5.090   9.099   7.097
  237   2HB   PRO  35          2HB       PRO  35   6.723   9.138   6.377
  238   1HG   PRO  35          1HG       PRO  35   4.791  11.464   6.669
  239   2HG   PRO  35          2HG       PRO  35   6.501  11.374   7.187
  240   1HD   PRO  35          1HD       PRO  35   5.759  12.481   4.796
  241   2HD   PRO  35          2HD       PRO  35   7.267  11.536   4.953
  242    H    TRP  36           H        TRP  36   3.686   7.581   5.846
  243    HA   TRP  36           HA       TRP  36   1.103   8.615   4.777
  244   1HB   TRP  36          1HB       TRP  36   1.899   5.863   5.762
  245   2HB   TRP  36          2HB       TRP  36   0.445   6.281   4.872
  246    HD1  TRP  36           HD1      TRP  36   0.656   6.444   2.202
  247    HE1  TRP  36           HE1      TRP  36   2.409   5.708   0.557
  248    HE3  TRP  36           HE3      TRP  36   4.679   5.904   5.380
  249    HZ2  TRP  36           HZ2      TRP  36   4.957   4.291   0.742
  250    HZ3  TRP  36           HZ3      TRP  36   6.726   4.862   4.600
  251    HH2  TRP  36           HH2      TRP  36   6.878   3.992   2.286
  252    H    SER  37           H        SER  37  -0.760   7.571   6.304
  253    HA   SER  37           HA       SER  37  -0.141   7.797   9.152
  254   1HB   SER  37          1HB       SER  37  -2.370   9.441   7.880
  255   2HB   SER  37          2HB       SER  37  -1.891   9.394   9.586
  256    HG   SER  37           HG       SER  37   0.302   9.979   8.447

  No H/Q in entry =         256
  Start of MODEL   11
    1    H1   ASP   1           H1       ASP   1  -8.872  -6.063  -4.320
    2    H2   ASP   1           H2       ASP   1  -7.620  -6.390  -5.373
    3    H3   ASP   1           H3       ASP   1  -9.011  -7.306  -5.346
    4    HA   ASP   1           HA       ASP   1  -8.520  -8.222  -3.273
    5   1HB   ASP   1          1HB       ASP   1  -6.269  -9.160  -3.452
    6   2HB   ASP   1          2HB       ASP   1  -7.101  -9.233  -5.008
    7    H    ILE   2           H        ILE   2  -7.317  -8.097  -1.243
    8    HA   ILE   2           HA       ILE   2  -7.359  -5.587  -0.187
    9    HB   ILE   2           HB       ILE   2  -7.420  -7.744   1.017
   10   1HG1  ILE   2          1HG1      ILE   2  -6.270  -7.186   3.067
   11   2HG1  ILE   2          2HG1      ILE   2  -5.333  -5.915   2.264
   12   1HG2  ILE   2          1HG2      ILE   2  -5.404  -8.826  -0.050
   13   2HG2  ILE   2          2HG2      ILE   2  -4.362  -7.716   0.873
   14   3HG2  ILE   2          3HG2      ILE   2  -5.357  -8.895   1.716
   15   1HD1  ILE   2          1HD1      ILE   2  -8.377  -5.998   2.547
   16   2HD1  ILE   2          2HD1      ILE   2  -7.278  -5.151   3.647
   17   3HD1  ILE   2          3HD1      ILE   2  -7.388  -4.618   1.973
   18    H    CYS   3           H        CYS   3  -4.611  -6.982  -1.823
   19    HA   CYS   3           HA       CYS   3  -2.619  -5.098  -0.926
   20   1HB   CYS   3          1HB       CYS   3  -2.685  -7.307  -2.669
   21   2HB   CYS   3          2HB       CYS   3  -2.692  -5.969  -3.811
   22    H    ASP   4           H        ASP   4  -4.973  -5.045  -3.568
   23    HA   ASP   4           HA       ASP   4  -4.106  -2.496  -4.652
   24   1HB   ASP   4          1HB       ASP   4  -5.256  -4.240  -5.993
   25   2HB   ASP   4          2HB       ASP   4  -6.707  -4.036  -5.000
   26    H    ILE   5           H        ILE   5  -6.582  -3.666  -2.385
   27    HA   ILE   5           HA       ILE   5  -7.879  -1.219  -1.828
   28    HB   ILE   5           HB       ILE   5  -7.223  -3.422   0.135
   29   1HG1  ILE   5          1HG1      ILE   5  -9.629  -2.935  -1.646
   30   2HG1  ILE   5          2HG1      ILE   5  -8.479  -4.232  -1.787
   31   1HG2  ILE   5          1HG2      ILE   5  -7.796  -1.381   1.304
   32   2HG2  ILE   5          2HG2      ILE   5  -9.284  -1.225   0.340
   33   3HG2  ILE   5          3HG2      ILE   5  -9.064  -2.569   1.487
   34   1HD1  ILE   5          1HD1      ILE   5  -9.238  -4.927   0.613
   35   2HD1  ILE   5          2HD1      ILE   5 -10.549  -3.775   0.368
   36   3HD1  ILE   5          3HD1      ILE   5 -10.378  -5.161  -0.708
   37    H    ALA   6           H        ALA   6  -5.047  -2.675  -0.150
   38    HA   ALA   6           HA       ALA   6  -4.595  -0.531   1.657
   39   1HB   ALA   6          1HB       ALA   6  -2.402  -1.676   1.976
   40   2HB   ALA   6          2HB       ALA   6  -3.646  -2.937   1.771
   41   3HB   ALA   6          3HB       ALA   6  -2.588  -2.525   0.429
   42    H    ILE   7           H        ILE   7  -3.386  -1.075  -1.643
   43    HA   ILE   7           HA       ILE   7  -1.680   1.248  -1.638
   44    HB   ILE   7           HB       ILE   7  -2.940  -0.388  -3.844
   45   1HG1  ILE   7          1HG1      ILE   7  -0.029  -0.205  -2.945
   46   2HG1  ILE   7          2HG1      ILE   7  -1.135  -1.327  -2.169
   47   1HG2  ILE   7          1HG2      ILE   7  -0.832   1.815  -4.008
   48   2HG2  ILE   7          2HG2      ILE   7  -1.299   0.735  -5.340
   49   3HG2  ILE   7          3HG2      ILE   7  -2.470   1.876  -4.696
   50   1HD1  ILE   7          1HD1      ILE   7  -1.670  -2.390  -4.296
   51   2HD1  ILE   7          2HD1      ILE   7  -0.510  -1.332  -5.132
   52   3HD1  ILE   7          3HD1      ILE   7   0.055  -2.482  -3.903
   53    H    ALA   8           H        ALA   8  -5.119   0.724  -2.639
   54    HA   ALA   8           HA       ALA   8  -5.549   3.403  -3.538
   55   1HB   ALA   8          1HB       ALA   8  -7.017   1.468  -4.067
   56   2HB   ALA   8          2HB       ALA   8  -7.543   1.407  -2.370
   57   3HB   ALA   8          3HB       ALA   8  -7.917   2.827  -3.365
   58    H    GLN   9           H        GLN   9  -5.617   1.879  -0.393
   59    HA   GLN   9           HA       GLN   9  -6.477   4.314   1.057
   60   1HB   GLN   9          1HB       GLN   9  -5.921   1.397   1.772
   61   2HB   GLN   9          2HB       GLN   9  -6.269   2.592   2.990
   62   1HG   GLN   9          1HG       GLN   9  -8.354   3.191   1.456
   63   2HG   GLN   9          2HG       GLN   9  -8.060   1.631   0.702
   64   2HE2  GLN   9          2HE2      GLN   9  -7.425   0.023   2.792
   65   1HE2  GLN   9          1HE2      GLN   9  -8.755  -0.096   3.930
   66    H    CYS  10           H        CYS  10  -3.743   3.375  -0.342
   67    HA   CYS  10           HA       CYS  10  -1.551   3.303   0.000
   68   1HB   CYS  10          1HB       CYS  10  -0.607   5.616   0.369
   69   2HB   CYS  10          2HB       CYS  10  -1.675   5.317  -0.971
   70    H    SER  11           H        SER  11  -1.925   1.916   1.935
   71    HA   SER  11           HA       SER  11  -0.833   3.147   4.453
   72   1HB   SER  11          1HB       SER  11  -3.175   2.751   4.802
   73   2HB   SER  11          2HB       SER  11  -3.078   1.163   4.040
   74    HG   SER  11           HG       SER  11  -1.962   2.040   6.495
   75    H    LEU  12           H        LEU  12   1.165   2.315   4.799
   76    HA   LEU  12           HA       LEU  12   2.130  -0.108   3.532
   77   1HB   LEU  12          1HB       LEU  12   3.201   1.460   5.921
   78   2HB   LEU  12          2HB       LEU  12   3.936   0.016   5.240
   79    HG   LEU  12           HG       LEU  12   3.717   1.478   2.950
   80   1HD1  LEU  12          1HD1      LEU  12   4.205   3.522   5.121
   81   2HD1  LEU  12          2HD1      LEU  12   4.399   3.740   3.363
   82   3HD1  LEU  12          3HD1      LEU  12   2.796   3.424   4.039
   83   1HD2  LEU  12          1HD2      LEU  12   5.751   0.347   3.859
   84   2HD2  LEU  12          2HD2      LEU  12   6.097   1.946   3.220
   85   3HD2  LEU  12          3HD2      LEU  12   5.979   1.705   4.979
   86    H    THR  13           H        THR  13   0.853   0.725   6.810
   87    HA   THR  13           HA       THR  13   1.303  -1.803   7.839
   88    HB   THR  13           HB       THR  13  -0.975  -0.018   8.742
   89    HG1  THR  13           HG1      THR  13   0.501   1.459   9.395
   90   1HG2  THR  13          1HG2      THR  13  -0.390  -2.201   9.950
   91   2HG2  THR  13          2HG2      THR  13   1.206  -1.513  10.291
   92   3HG2  THR  13          3HG2      THR  13  -0.252  -0.758  10.964
   93    H    LEU  14           H        LEU  14  -1.721  -0.596   6.107
   94    HA   LEU  14           HA       LEU  14  -3.091  -3.048   6.569
   95   1HB   LEU  14          1HB       LEU  14  -4.164  -0.871   6.130
   96   2HB   LEU  14          2HB       LEU  14  -3.405  -0.882   4.528
   97    HG   LEU  14           HG       LEU  14  -4.493  -2.721   3.790
   98   1HD1  LEU  14          1HD1      LEU  14  -5.697  -2.799   6.564
   99   2HD1  LEU  14          2HD1      LEU  14  -6.452  -3.626   5.175
  100   3HD1  LEU  14          3HD1      LEU  14  -4.823  -4.104   5.703
  101   1HD2  LEU  14          1HD2      LEU  14  -5.573  -0.433   3.709
  102   2HD2  LEU  14          2HD2      LEU  14  -6.713  -1.803   3.595
  103   3HD2  LEU  14          3HD2      LEU  14  -6.534  -0.907   5.125
  104    H    CYS  15           H        CYS  15  -0.567  -1.921   4.330
  105    HA   CYS  15           HA       CYS  15  -1.060  -3.860   2.257
  106   1HB   CYS  15          1HB       CYS  15   1.180  -2.035   2.951
  107   2HB   CYS  15          2HB       CYS  15   1.638  -3.506   2.116
  108    H    GLN  16           H        GLN  16   0.125  -4.243   5.516
  109    HA   GLN  16           HA       GLN  16   1.562  -6.706   4.962
  110   1HB   GLN  16          1HB       GLN  16   0.503  -5.677   7.592
  111   2HB   GLN  16          2HB       GLN  16   1.723  -6.934   7.319
  112   1HG   GLN  16          1HG       GLN  16   3.010  -5.103   5.960
  113   2HG   GLN  16          2HG       GLN  16   1.935  -3.946   6.744
  114   2HE2  GLN  16          2HE2      GLN  16   4.514  -3.507   7.138
  115   1HE2  GLN  16          1HE2      GLN  16   5.012  -4.038   8.755
  116    H    ASP  17           H        ASP  17  -1.782  -6.055   4.815
  117    HA   ASP  17           HA       ASP  17  -2.553  -8.867   5.343
  118   1HB   ASP  17          1HB       ASP  17  -3.945  -6.477   4.091
  119   2HB   ASP  17          2HB       ASP  17  -4.445  -8.126   3.749
  120    H    CYS  18           H        CYS  18  -1.051  -6.970   2.764
  121    HA   CYS  18           HA       CYS  18  -1.958  -8.754   0.695
  122   1HB   CYS  18          1HB       CYS  18  -1.432  -6.485   0.161
  123   2HB   CYS  18          2HB       CYS  18   0.274  -6.690   0.586
  124    H    GLU  19           H        GLU  19  -1.046 -10.530  -0.057
  125    HA   GLU  19           HA       GLU  19   0.898 -12.099   1.038
  126   1HB   GLU  19          1HB       GLU  19  -0.494 -12.997  -0.548
  127   2HB   GLU  19          2HB       GLU  19  -0.122 -11.749  -1.741
  128   1HG   GLU  19          1HG       GLU  19   0.811 -14.044  -2.231
  129   2HG   GLU  19          2HG       GLU  19   1.968 -12.716  -2.277
  130    H    ASN  20           H        ASN  20   1.523 -10.089  -1.905
  131    HA   ASN  20           HA       ASN  20   4.356 -10.165  -1.355
  132   1HB   ASN  20          1HB       ASN  20   4.563  -9.061  -3.499
  133   2HB   ASN  20          2HB       ASN  20   3.661 -10.567  -3.518
  134   2HD2  ASN  20          2HD2      ASN  20   2.862  -7.013  -3.260
  135   1HD2  ASN  20          1HD2      ASN  20   1.669  -7.119  -4.559
  136    H    THR  21           H        THR  21   3.831  -9.092   0.780
  137    HA   THR  21           HA       THR  21   3.020  -6.605   1.183
  138    HB   THR  21           HB       THR  21   5.403  -7.580   2.682
  139    HG1  THR  21           HG1      THR  21   2.725  -8.527   2.690
  140   1HG2  THR  21          1HG2      THR  21   2.918  -5.985   3.372
  141   2HG2  THR  21          2HG2      THR  21   4.079  -6.580   4.570
  142   3HG2  THR  21          3HG2      THR  21   4.582  -5.416   3.350
  143    HA   PRO  22           HA       PRO  22   7.037  -4.186   0.641
  144   1HB   PRO  22          1HB       PRO  22   9.108  -5.182  -0.932
  145   2HB   PRO  22          2HB       PRO  22   8.991  -5.431   0.826
  146   1HG   PRO  22          1HG       PRO  22   8.102  -7.335  -1.369
  147   2HG   PRO  22          2HG       PRO  22   9.120  -7.697   0.054
  148   1HD   PRO  22          1HD       PRO  22   6.479  -8.215   0.121
  149   2HD   PRO  22          2HD       PRO  22   7.289  -7.476   1.537
  150    H    ILE  23           H        ILE  23   5.979  -6.214  -2.092
  151    HA   ILE  23           HA       ILE  23   6.370  -4.209  -4.149
  152    HB   ILE  23           HB       ILE  23   4.807  -6.708  -3.858
  153   1HG1  ILE  23          1HG1      ILE  23   7.326  -6.569  -4.304
  154   2HG1  ILE  23          2HG1      ILE  23   6.320  -7.592  -5.316
  155   1HG2  ILE  23          1HG2      ILE  23   4.619  -4.880  -6.271
  156   2HG2  ILE  23          2HG2      ILE  23   4.053  -6.555  -6.166
  157   3HG2  ILE  23          3HG2      ILE  23   3.291  -5.308  -5.179
  158   1HD1  ILE  23          1HD1      ILE  23   7.197  -4.812  -6.164
  159   2HD1  ILE  23          2HD1      ILE  23   8.028  -6.319  -6.590
  160   3HD1  ILE  23          3HD1      ILE  23   6.379  -6.040  -7.158
  161    H    CYS  24           H        CYS  24   3.775  -5.123  -1.904
  162    HA   CYS  24           HA       CYS  24   1.820  -3.241  -2.761
  163   1HB   CYS  24          1HB       CYS  24   1.516  -5.279  -1.315
  164   2HB   CYS  24          2HB       CYS  24   2.144  -4.368   0.044
  165    H    GLU  25           H        GLU  25   4.255  -3.119  -0.122
  166    HA   GLU  25           HA       GLU  25   3.807  -0.535   0.850
  167   1HB   GLU  25          1HB       GLU  25   6.229  -2.324   0.610
  168   2HB   GLU  25          2HB       GLU  25   6.328  -0.886   1.532
  169   1HG   GLU  25          1HG       GLU  25   4.416  -1.627   2.966
  170   2HG   GLU  25          2HG       GLU  25   4.380  -3.173   2.121
  171    H    LEU  26           H        LEU  26   5.932  -1.650  -1.837
  172    HA   LEU  26           HA       LEU  26   7.045   0.880  -2.496
  173   1HB   LEU  26          1HB       LEU  26   7.747  -1.374  -3.316
  174   2HB   LEU  26          2HB       LEU  26   6.403  -1.368  -4.453
  175    HG   LEU  26           HG       LEU  26   8.425   0.912  -4.379
  176   1HD1  LEU  26          1HD1      LEU  26   8.692  -1.736  -5.850
  177   2HD1  LEU  26          2HD1      LEU  26   9.728  -0.311  -6.084
  178   3HD1  LEU  26          3HD1      LEU  26   9.724  -1.149  -4.525
  179   1HD2  LEU  26          1HD2      LEU  26   6.678  -0.268  -6.596
  180   2HD2  LEU  26          2HD2      LEU  26   6.464   1.321  -5.833
  181   3HD2  LEU  26          3HD2      LEU  26   7.886   1.012  -6.820
  182    H    ALA  27           H        ALA  27   4.086  -0.751  -3.777
  183    HA   ALA  27           HA       ALA  27   3.360   1.433  -5.456
  184   1HB   ALA  27          1HB       ALA  27   1.785  -0.853  -4.275
  185   2HB   ALA  27          2HB       ALA  27   1.048   0.386  -5.327
  186   3HB   ALA  27          3HB       ALA  27   2.350  -0.624  -5.944
  187    H    VAL  28           H        VAL  28   2.535   0.763  -2.024
  188    HA   VAL  28           HA       VAL  28   0.738   2.894  -1.654
  189    HB   VAL  28           HB       VAL  28   2.729   1.600   0.153
  190   1HG1  VAL  28          1HG1      VAL  28   0.876   3.880   0.854
  191   2HG1  VAL  28          2HG1      VAL  28   1.520   2.758   2.067
  192   3HG1  VAL  28          3HG1      VAL  28   2.625   3.773   1.138
  193   1HG2  VAL  28          1HG2      VAL  28   0.688   0.359  -0.564
  194   2HG2  VAL  28          2HG2      VAL  28   0.827   0.613   1.195
  195   3HG2  VAL  28          3HG2      VAL  28  -0.298   1.581   0.239
  196    H    LYS  29           H        LYS  29   4.294   2.791  -1.313
  197    HA   LYS  29           HA       LYS  29   4.662   5.642  -1.063
  198   1HB   LYS  29          1HB       LYS  29   6.448   3.204  -1.552
  199   2HB   LYS  29          2HB       LYS  29   7.093   4.836  -1.420
  200   1HG   LYS  29          1HG       LYS  29   6.208   5.115   0.787
  201   2HG   LYS  29          2HG       LYS  29   5.437   3.526   0.769
  202   1HD   LYS  29          1HD       LYS  29   7.443   2.380   0.947
  203   2HD   LYS  29          2HD       LYS  29   8.429   3.679   0.272
  204   1HE   LYS  29          1HE       LYS  29   6.999   4.000   2.947
  205   2HE   LYS  29          2HE       LYS  29   8.596   3.252   2.841
  206   1HZ   LYS  29          1HZ       LYS  29   8.181   5.895   1.630
  207   2HZ   LYS  29          2HZ       LYS  29   8.462   5.742   3.267
  208   3HZ   LYS  29          3HZ       LYS  29   9.542   5.258   2.199
  209    H    GLY  30           H        GLY  30   3.479   4.128  -3.643
  210   1HA   GLY  30          1HA       GLY  30   3.770   4.446  -5.964
  211   2HA   GLY  30          2HA       GLY  30   4.826   5.852  -5.679
  212    H    SER  31           H        SER  31   1.916   5.227  -3.774
  213    HA   SER  31           HA       SER  31   0.186   6.867  -5.479
  214   1HB   SER  31          1HB       SER  31  -0.398   5.631  -2.769
  215   2HB   SER  31          2HB       SER  31  -1.553   6.118  -4.011
  216    HG   SER  31           HG       SER  31   0.361   4.005  -4.080
  217    H    CYS  32           H        CYS  32   1.417   6.958  -2.063
  218    HA   CYS  32           HA       CYS  32   0.356   9.761  -1.925
  219   1HB   CYS  32          1HB       CYS  32   0.221   7.558   0.083
  220   2HB   CYS  32          2HB       CYS  32  -0.217   9.215   0.461
  221    HA   PRO  33           HA       PRO  33   4.403  10.734  -0.433
  222   1HB   PRO  33          1HB       PRO  33   3.964  13.195   0.733
  223   2HB   PRO  33          2HB       PRO  33   3.906  12.949  -1.035
  224   1HG   PRO  33          1HG       PRO  33   1.560  12.991   0.879
  225   2HG   PRO  33          2HG       PRO  33   1.731  13.865  -0.677
  226   1HD   PRO  33          1HD       PRO  33   0.405  11.512  -0.487
  227   2HD   PRO  33          2HD       PRO  33   1.386  11.921  -1.931
  228    HA   PRO  34           HA       PRO  34   4.354   9.300   3.755
  229   1HB   PRO  34          1HB       PRO  34   6.557  10.704   4.878
  230   2HB   PRO  34          2HB       PRO  34   6.736   9.266   3.903
  231   1HG   PRO  34          1HG       PRO  34   6.946  12.120   3.027
  232   2HG   PRO  34          2HG       PRO  34   7.966  10.726   2.549
  233   1HD   PRO  34          1HD       PRO  34   6.021  11.716   0.944
  234   2HD   PRO  34          2HD       PRO  34   6.333   9.958   1.022
  235    HA   PRO  35           HA       PRO  35   4.423   9.117   6.001
  236   1HB   PRO  35          1HB       PRO  35   2.852   9.124   8.185
  237   2HB   PRO  35          2HB       PRO  35   4.338  10.111   8.133
  238   1HG   PRO  35          1HG       PRO  35   1.503  10.988   7.528
  239   2HG   PRO  35          2HG       PRO  35   2.652  11.765   8.665
  240   1HD   PRO  35          1HD       PRO  35   2.266  12.581   6.056
  241   2HD   PRO  35          2HD       PRO  35   3.860  12.722   6.852
  242    H    TRP  36           H        TRP  36   2.765   7.302   6.510
  243    HA   TRP  36           HA       TRP  36   0.352   7.522   4.745
  244   1HB   TRP  36          1HB       TRP  36   2.094   5.147   5.407
  245   2HB   TRP  36          2HB       TRP  36   0.618   5.083   4.456
  246    HD1  TRP  36           HD1      TRP  36   0.678   6.267   2.018
  247    HE1  TRP  36           HE1      TRP  36   2.550   7.013   0.458
  248    HE3  TRP  36           HE3      TRP  36   4.584   5.914   5.260
  249    HZ2  TRP  36           HZ2      TRP  36   5.321   7.638   0.646
  250    HZ3  TRP  36           HZ3      TRP  36   6.787   6.798   4.609
  251    HH2  TRP  36           HH2      TRP  36   7.178   7.669   2.300
  252    H    SER  37           H        SER  37  -1.499   6.223   5.455
  253    HA   SER  37           HA       SER  37  -1.683   5.885   8.424
  254   1HB   SER  37          1HB       SER  37  -3.198   7.642   7.409
  255   2HB   SER  37          2HB       SER  37  -3.889   6.364   6.395
  256    HG   SER  37           HG       SER  37  -4.247   5.219   8.427

  No H/Q in entry =         256
  Start of MODEL   12
    1    H1   ASP   1           H1       ASP   1  -8.754  -5.797  -4.717
    2    H2   ASP   1           H2       ASP   1  -7.273  -6.260  -5.289
    3    H3   ASP   1           H3       ASP   1  -8.680  -7.058  -5.763
    4    HA   ASP   1           HA       ASP   1  -8.928  -7.849  -3.491
    5   1HB   ASP   1          1HB       ASP   1  -7.059  -9.321  -3.365
    6   2HB   ASP   1          2HB       ASP   1  -7.226  -9.021  -5.092
    7    H    ILE   2           H        ILE   2  -7.263  -8.082  -1.372
    8    HA   ILE   2           HA       ILE   2  -7.471  -5.514  -0.266
    9    HB   ILE   2           HB       ILE   2  -7.442  -7.727   0.860
   10   1HG1  ILE   2          1HG1      ILE   2  -6.185  -7.060   2.932
   11   2HG1  ILE   2          2HG1      ILE   2  -5.683  -5.584   2.112
   12   1HG2  ILE   2          1HG2      ILE   2  -5.222  -8.549  -0.162
   13   2HG2  ILE   2          2HG2      ILE   2  -4.413  -7.448   0.968
   14   3HG2  ILE   2          3HG2      ILE   2  -5.384  -8.791   1.588
   15   1HD1  ILE   2          1HD1      ILE   2  -8.585  -6.461   2.471
   16   2HD1  ILE   2          2HD1      ILE   2  -7.703  -5.529   3.688
   17   3HD1  ILE   2          3HD1      ILE   2  -7.965  -4.824   2.078
   18    H    CYS   3           H        CYS   3  -4.788  -6.922  -2.113
   19    HA   CYS   3           HA       CYS   3  -2.806  -4.986  -1.282
   20   1HB   CYS   3          1HB       CYS   3  -2.863  -7.062  -3.230
   21   2HB   CYS   3          2HB       CYS   3  -2.624  -5.569  -4.135
   22    H    ASP   4           H        ASP   4  -5.322  -4.929  -3.800
   23    HA   ASP   4           HA       ASP   4  -4.628  -2.319  -4.842
   24   1HB   ASP   4          1HB       ASP   4  -6.170  -3.705  -6.136
   25   2HB   ASP   4          2HB       ASP   4  -7.320  -3.767  -4.785
   26    H    ILE   5           H        ILE   5  -6.835  -3.504  -2.342
   27    HA   ILE   5           HA       ILE   5  -7.915  -1.073  -1.555
   28    HB   ILE   5           HB       ILE   5  -7.286  -3.441   0.249
   29   1HG1  ILE   5          1HG1      ILE   5  -9.674  -2.655  -1.432
   30   2HG1  ILE   5          2HG1      ILE   5  -8.699  -4.049  -1.651
   31   1HG2  ILE   5          1HG2      ILE   5  -7.672  -1.428   1.591
   32   2HG2  ILE   5          2HG2      ILE   5  -9.230  -1.189   0.768
   33   3HG2  ILE   5          3HG2      ILE   5  -8.943  -2.610   1.789
   34   1HD1  ILE   5          1HD1      ILE   5  -9.601  -4.953   0.541
   35   2HD1  ILE   5          2HD1      ILE   5 -10.654  -3.513   0.596
   36   3HD1  ILE   5          3HD1      ILE   5 -10.822  -4.678  -0.710
   37    H    ALA   6           H        ALA   6  -5.040  -2.673  -0.125
   38    HA   ALA   6           HA       ALA   6  -4.417  -0.654   1.743
   39   1HB   ALA   6          1HB       ALA   6  -2.131  -1.738   1.699
   40   2HB   ALA   6          2HB       ALA   6  -3.388  -2.995   1.684
   41   3HB   ALA   6          3HB       ALA   6  -2.550  -2.564   0.190
   42    H    ILE   7           H        ILE   7  -3.459  -1.003  -1.693
   43    HA   ILE   7           HA       ILE   7  -1.688   1.259  -1.602
   44    HB   ILE   7           HB       ILE   7  -2.970  -0.045  -3.979
   45   1HG1  ILE   7          1HG1      ILE   7  -0.110  -0.300  -2.951
   46   2HG1  ILE   7          2HG1      ILE   7  -1.344  -1.388  -2.350
   47   1HG2  ILE   7          1HG2      ILE   7  -0.625   1.908  -3.650
   48   2HG2  ILE   7          2HG2      ILE   7  -1.062   1.118  -5.163
   49   3HG2  ILE   7          3HG2      ILE   7  -2.166   2.282  -4.425
   50   1HD1  ILE   7          1HD1      ILE   7  -0.637  -1.090  -5.280
   51   2HD1  ILE   7          2HD1      ILE   7  -0.189  -2.422  -4.189
   52   3HD1  ILE   7          3HD1      ILE   7  -1.896  -2.140  -4.600
   53    H    ALA   8           H        ALA   8  -5.157   0.854  -2.422
   54    HA   ALA   8           HA       ALA   8  -5.572   3.562  -3.278
   55   1HB   ALA   8          1HB       ALA   8  -7.088   1.709  -3.867
   56   2HB   ALA   8          2HB       ALA   8  -7.493   1.480  -2.160
   57   3HB   ALA   8          3HB       ALA   8  -7.972   2.970  -2.988
   58    H    GLN   9           H        GLN   9  -5.655   1.897  -0.201
   59    HA   GLN   9           HA       GLN   9  -6.549   4.202   1.398
   60   1HB   GLN   9          1HB       GLN   9  -6.037   1.238   1.897
   61   2HB   GLN   9          2HB       GLN   9  -6.218   2.317   3.238
   62   1HG   GLN   9          1HG       GLN   9  -8.399   3.150   2.230
   63   2HG   GLN   9          2HG       GLN   9  -8.188   1.998   0.913
   64   2HE2  GLN   9          2HE2      GLN   9 -10.511   1.840   1.891
   65   1HE2  GLN   9          1HE2      GLN   9 -10.709   0.442   2.957
   66    H    CYS  10           H        CYS  10  -3.738   3.284  -0.034
   67    HA   CYS  10           HA       CYS  10  -1.582   3.369   0.320
   68   1HB   CYS  10          1HB       CYS  10  -0.777   5.707   0.860
   69   2HB   CYS  10          2HB       CYS  10  -1.641   5.338  -0.629
   70    H    SER  11           H        SER  11  -1.466   1.944   1.903
   71    HA   SER  11           HA       SER  11  -0.688   2.884   4.633
   72   1HB   SER  11          1HB       SER  11  -3.120   2.398   4.656
   73   2HB   SER  11          2HB       SER  11  -2.804   0.799   3.987
   74    HG   SER  11           HG       SER  11  -3.048   1.122   6.379
   75    H    LEU  12           H        LEU  12   1.371   2.102   4.767
   76    HA   LEU  12           HA       LEU  12   2.243  -0.415   3.616
   77   1HB   LEU  12          1HB       LEU  12   3.462   1.219   5.880
   78   2HB   LEU  12          2HB       LEU  12   4.145  -0.217   5.109
   79    HG   LEU  12           HG       LEU  12   3.949   1.120   2.875
   80   1HD1  LEU  12          1HD1      LEU  12   4.050   3.381   4.912
   81   2HD1  LEU  12          2HD1      LEU  12   4.360   3.521   3.165
   82   3HD1  LEU  12          3HD1      LEU  12   2.748   3.088   3.738
   83   1HD2  LEU  12          1HD2      LEU  12   6.078   0.404   3.940
   84   2HD2  LEU  12          2HD2      LEU  12   6.222   2.026   3.252
   85   3HD2  LEU  12          3HD2      LEU  12   6.019   1.819   5.006
   86    H    THR  13           H        THR  13   0.594   0.599   6.599
   87    HA   THR  13           HA       THR  13   0.935  -1.825   7.999
   88    HB   THR  13           HB       THR  13  -1.435   0.104   8.073
   89    HG1  THR  13           HG1      THR  13  -0.203   1.424   9.115
   90   1HG2  THR  13          1HG2      THR  13  -0.316  -1.833  10.137
   91   2HG2  THR  13          2HG2      THR  13  -1.567  -0.594  10.448
   92   3HG2  THR  13          3HG2      THR  13  -1.885  -1.927   9.327
   93    H    LEU  14           H        LEU  14  -1.792  -0.760   5.955
   94    HA   LEU  14           HA       LEU  14  -3.106  -3.282   6.064
   95   1HB   LEU  14          1HB       LEU  14  -3.808  -0.828   5.296
   96   2HB   LEU  14          2HB       LEU  14  -3.488  -1.473   3.695
   97    HG   LEU  14           HG       LEU  14  -5.283  -2.811   5.784
   98   1HD1  LEU  14          1HD1      LEU  14  -5.980  -0.599   3.824
   99   2HD1  LEU  14          2HD1      LEU  14  -7.159  -1.592   4.717
  100   3HD1  LEU  14          3HD1      LEU  14  -6.074  -0.510   5.597
  101   1HD2  LEU  14          1HD2      LEU  14  -5.371  -2.770   2.750
  102   2HD2  LEU  14          2HD2      LEU  14  -4.753  -4.115   3.752
  103   3HD2  LEU  14          3HD2      LEU  14  -6.462  -3.646   3.842
  104    H    CYS  15           H        CYS  15  -0.325  -2.198   4.238
  105    HA   CYS  15           HA       CYS  15  -0.590  -4.070   2.077
  106   1HB   CYS  15          1HB       CYS  15   1.811  -2.673   3.267
  107   2HB   CYS  15          2HB       CYS  15   2.010  -3.955   2.092
  108    H    GLN  16           H        GLN  16   0.339  -4.529   5.451
  109    HA   GLN  16           HA       GLN  16   1.548  -7.143   4.975
  110   1HB   GLN  16          1HB       GLN  16   0.536  -5.733   7.440
  111   2HB   GLN  16          2HB       GLN  16   1.264  -7.336   7.464
  112   1HG   GLN  16          1HG       GLN  16   3.380  -6.563   6.771
  113   2HG   GLN  16          2HG       GLN  16   2.750  -5.039   6.138
  114   2HE2  GLN  16          2HE2      GLN  16   2.360  -3.312   7.508
  115   1HE2  GLN  16          1HE2      GLN  16   2.704  -3.354   9.241
  116    H    ASP  17           H        ASP  17  -1.779  -6.113   4.912
  117    HA   ASP  17           HA       ASP  17  -2.809  -8.807   5.560
  118   1HB   ASP  17          1HB       ASP  17  -4.105  -6.403   4.155
  119   2HB   ASP  17          2HB       ASP  17  -4.801  -8.011   4.271
  120    H    CYS  18           H        CYS  18  -1.639  -6.875   2.796
  121    HA   CYS  18           HA       CYS  18  -2.437  -8.859   0.818
  122   1HB   CYS  18          1HB       CYS  18  -2.307  -6.616   0.080
  123   2HB   CYS  18          2HB       CYS  18  -0.630  -6.421   0.607
  124    H    GLU  19           H        GLU  19  -1.192 -10.278  -0.238
  125    HA   GLU  19           HA       GLU  19   0.721 -11.823   1.053
  126   1HB   GLU  19          1HB       GLU  19  -0.696 -12.479  -0.756
  127   2HB   GLU  19          2HB       GLU  19   0.129 -11.365  -1.838
  128   1HG   GLU  19          1HG       GLU  19   2.188 -12.713  -1.640
  129   2HG   GLU  19          2HG       GLU  19   1.319 -13.864  -0.586
  130    H    ASN  20           H        ASN  20   1.328  -9.558  -1.656
  131    HA   ASN  20           HA       ASN  20   4.163  -9.989  -1.427
  132   1HB   ASN  20          1HB       ASN  20   4.285  -8.810  -3.513
  133   2HB   ASN  20          2HB       ASN  20   3.038 -10.031  -3.538
  134   2HD2  ASN  20          2HD2      ASN  20   3.552  -6.525  -3.243
  135   1HD2  ASN  20          1HD2      ASN  20   2.212  -6.084  -4.271
  136    H    THR  21           H        THR  21   3.785  -8.891   0.910
  137    HA   THR  21           HA       THR  21   3.280  -6.489   1.506
  138    HB   THR  21           HB       THR  21   5.751  -7.593   2.748
  139    HG1  THR  21           HG1      THR  21   4.510  -9.144   3.660
  140   1HG2  THR  21          1HG2      THR  21   3.227  -6.266   3.804
  141   2HG2  THR  21          2HG2      THR  21   4.510  -6.968   4.805
  142   3HG2  THR  21          3HG2      THR  21   4.855  -5.571   3.777
  143    HA   PRO  22           HA       PRO  22   7.234  -4.033   0.804
  144   1HB   PRO  22          1HB       PRO  22   9.301  -4.955  -0.747
  145   2HB   PRO  22          2HB       PRO  22   9.177  -5.310   0.992
  146   1HG   PRO  22          1HG       PRO  22   8.301  -7.067  -1.322
  147   2HG   PRO  22          2HG       PRO  22   9.342  -7.492   0.060
  148   1HD   PRO  22          1HD       PRO  22   6.683  -8.057   0.116
  149   2HD   PRO  22          2HD       PRO  22   7.516  -7.435   1.567
  150    H    ILE  23           H        ILE  23   6.257  -6.104  -1.935
  151    HA   ILE  23           HA       ILE  23   6.763  -4.065  -3.933
  152    HB   ILE  23           HB       ILE  23   5.300  -6.648  -3.856
  153   1HG1  ILE  23          1HG1      ILE  23   7.854  -6.348  -3.956
  154   2HG1  ILE  23          2HG1      ILE  23   7.047  -7.453  -5.043
  155   1HG2  ILE  23          1HG2      ILE  23   5.378  -4.743  -6.233
  156   2HG2  ILE  23          2HG2      ILE  23   4.854  -6.434  -6.277
  157   3HG2  ILE  23          3HG2      ILE  23   3.928  -5.229  -5.371
  158   1HD1  ILE  23          1HD1      ILE  23   7.787  -4.630  -5.837
  159   2HD1  ILE  23          2HD1      ILE  23   8.794  -6.063  -6.132
  160   3HD1  ILE  23          3HD1      ILE  23   7.202  -5.946  -6.896
  161    H    CYS  24           H        CYS  24   4.096  -4.999  -1.786
  162    HA   CYS  24           HA       CYS  24   2.173  -3.103  -2.810
  163   1HB   CYS  24          1HB       CYS  24   1.474  -5.035  -1.590
  164   2HB   CYS  24          2HB       CYS  24   2.321  -4.534  -0.136
  165    H    GLU  25           H        GLU  25   4.462  -3.026  -0.009
  166    HA   GLU  25           HA       GLU  25   4.045  -0.443   0.946
  167   1HB   GLU  25          1HB       GLU  25   6.546  -2.116   0.565
  168   2HB   GLU  25          2HB       GLU  25   6.643  -0.641   1.389
  169   1HG   GLU  25          1HG       GLU  25   4.896  -1.468   3.035
  170   2HG   GLU  25          2HG       GLU  25   5.069  -3.063   2.307
  171    H    LEU  26           H        LEU  26   6.162  -1.529  -1.688
  172    HA   LEU  26           HA       LEU  26   7.174   0.987  -2.463
  173   1HB   LEU  26          1HB       LEU  26   8.034  -1.277  -2.962
  174   2HB   LEU  26          2HB       LEU  26   6.762  -1.525  -4.150
  175    HG   LEU  26           HG       LEU  26   8.661   0.841  -4.366
  176   1HD1  LEU  26          1HD1      LEU  26   9.138  -2.031  -5.160
  177   2HD1  LEU  26          2HD1      LEU  26  10.136  -0.658  -5.701
  178   3HD1  LEU  26          3HD1      LEU  26  10.085  -1.091  -3.984
  179   1HD2  LEU  26          1HD2      LEU  26   7.162  -0.907  -6.380
  180   2HD2  LEU  26          2HD2      LEU  26   6.783   0.781  -5.975
  181   3HD2  LEU  26          3HD2      LEU  26   8.289   0.380  -6.814
  182    H    ALA  27           H        ALA  27   4.283  -0.794  -3.644
  183    HA   ALA  27           HA       ALA  27   3.516   1.223  -5.544
  184   1HB   ALA  27          1HB       ALA  27   1.824  -0.814  -4.047
  185   2HB   ALA  27          2HB       ALA  27   1.288   0.193  -5.415
  186   3HB   ALA  27          3HB       ALA  27   2.558  -1.012  -5.646
  187    H    VAL  28           H        VAL  28   2.732   0.779  -2.064
  188    HA   VAL  28           HA       VAL  28   0.895   2.883  -1.798
  189    HB   VAL  28           HB       VAL  28   2.733   1.498   0.094
  190   1HG1  VAL  28          1HG1      VAL  28   0.907   3.820   0.736
  191   2HG1  VAL  28          2HG1      VAL  28   1.450   2.643   1.945
  192   3HG1  VAL  28          3HG1      VAL  28   2.647   3.636   1.107
  193   1HG2  VAL  28          1HG2      VAL  28   0.691   0.323  -0.725
  194   2HG2  VAL  28          2HG2      VAL  28   0.666   0.641   1.025
  195   3HG2  VAL  28          3HG2      VAL  28  -0.277   1.653  -0.058
  196    H    LYS  29           H        LYS  29   4.519   2.954  -1.387
  197    HA   LYS  29           HA       LYS  29   4.689   5.747  -0.918
  198   1HB   LYS  29          1HB       LYS  29   6.682   3.779  -2.081
  199   2HB   LYS  29          2HB       LYS  29   6.996   5.409  -1.540
  200   1HG   LYS  29          1HG       LYS  29   6.211   4.729   0.794
  201   2HG   LYS  29          2HG       LYS  29   5.982   3.115   0.179
  202   1HD   LYS  29          1HD       LYS  29   8.054   2.719   0.895
  203   2HD   LYS  29          2HD       LYS  29   8.562   3.444  -0.622
  204   1HE   LYS  29          1HE       LYS  29   8.298   4.802   2.108
  205   2HE   LYS  29          2HE       LYS  29   9.804   4.347   1.310
  206   1HZ   LYS  29          1HZ       LYS  29   9.291   6.044  -0.410
  207   2HZ   LYS  29          2HZ       LYS  29   7.969   6.500   0.434
  208   3HZ   LYS  29          3HZ       LYS  29   9.459   6.634   1.062
  209    H    GLY  30           H        GLY  30   4.549   3.766  -3.853
  210   1HA   GLY  30          1HA       GLY  30   3.882   4.281  -5.949
  211   2HA   GLY  30          2HA       GLY  30   4.920   5.707  -5.850
  212    H    SER  31           H        SER  31   1.819   4.754  -4.173
  213    HA   SER  31           HA       SER  31   0.367   6.429  -5.972
  214   1HB   SER  31          1HB       SER  31  -1.593   5.622  -4.678
  215   2HB   SER  31          2HB       SER  31  -0.548   4.334  -5.303
  216    HG   SER  31           HG       SER  31  -1.262   4.161  -3.028
  217    H    CYS  32           H        CYS  32   1.007   6.655  -2.445
  218    HA   CYS  32           HA       CYS  32  -0.307   9.373  -2.473
  219   1HB   CYS  32          1HB       CYS  32  -0.021   7.242  -0.420
  220   2HB   CYS  32          2HB       CYS  32  -0.314   8.886   0.115
  221    HA   PRO  33           HA       PRO  33   3.602  11.087  -1.343
  222   1HB   PRO  33          1HB       PRO  33   2.883  13.325   0.076
  223   2HB   PRO  33          2HB       PRO  33   2.627  13.162  -1.685
  224   1HG   PRO  33          1HG       PRO  33   0.614  12.705   0.524
  225   2HG   PRO  33          2HG       PRO  33   0.390  13.632  -0.981
  226   1HD   PRO  33          1HD       PRO  33  -0.431  11.043  -0.697
  227   2HD   PRO  33          2HD       PRO  33   0.134  11.688  -2.257
  228    HA   PRO  34           HA       PRO  34   4.263   9.472   2.738
  229   1HB   PRO  34          1HB       PRO  34   6.551  10.736   3.576
  230   2HB   PRO  34          2HB       PRO  34   6.557   9.642   2.190
  231   1HG   PRO  34          1HG       PRO  34   6.324  12.642   2.051
  232   2HG   PRO  34          2HG       PRO  34   7.471  11.571   1.184
  233   1HD   PRO  34          1HD       PRO  34   5.163  12.401   0.030
  234   2HD   PRO  34          2HD       PRO  34   5.773  10.741  -0.239
  235    HA   PRO  35           HA       PRO  35   4.460   9.140   4.903
  236   1HB   PRO  35          1HB       PRO  35   3.234   8.995   7.304
  237   2HB   PRO  35          2HB       PRO  35   4.698   9.996   7.078
  238   1HG   PRO  35          1HG       PRO  35   1.802  10.918   7.044
  239   2HG   PRO  35          2HG       PRO  35   3.167  11.616   7.961
  240   1HD   PRO  35          1HD       PRO  35   2.338  12.584   5.504
  241   2HD   PRO  35          2HD       PRO  35   4.032  12.665   6.048
  242    H    TRP  36           H        TRP  36   2.936   7.211   5.354
  243    HA   TRP  36           HA       TRP  36   0.693   7.491   3.448
  244   1HB   TRP  36          1HB       TRP  36   2.173   5.121   4.614
  245   2HB   TRP  36          2HB       TRP  36   0.889   5.001   3.397
  246    HD1  TRP  36           HD1      TRP  36   1.286   6.140   1.063
  247    HE1  TRP  36           HE1      TRP  36   3.267   7.218  -0.143
  248    HE3  TRP  36           HE3      TRP  36   4.707   5.725   4.808
  249    HZ2  TRP  36           HZ2      TRP  36   6.085   7.767   0.482
  250    HZ3  TRP  36           HZ3      TRP  36   7.041   6.473   4.485
  251    HH2  TRP  36           HH2      TRP  36   7.721   7.557   2.385
  252    H    SER  37           H        SER  37  -0.243   8.815   5.238
  253    HA   SER  37           HA       SER  37  -1.864   7.144   7.094
  254   1HB   SER  37          1HB       SER  37  -0.192   8.767   8.100
  255   2HB   SER  37          2HB       SER  37  -1.063  10.087   7.303
  256    HG   SER  37           HG       SER  37  -2.868   9.596   8.521

  No H/Q in entry =         256
  Start of MODEL   13
    1    H1   ASP   1           H1       ASP   1  -6.645  -6.125  -5.273
    2    H2   ASP   1           H2       ASP   1  -7.800  -6.976  -6.099
    3    H3   ASP   1           H3       ASP   1  -8.231  -5.726  -5.152
    4    HA   ASP   1           HA       ASP   1  -8.702  -7.690  -3.903
    5   1HB   ASP   1          1HB       ASP   1  -7.128  -9.353  -3.463
    6   2HB   ASP   1          2HB       ASP   1  -6.910  -9.035  -5.182
    7    H    ILE   2           H        ILE   2  -7.431  -8.052  -1.489
    8    HA   ILE   2           HA       ILE   2  -7.560  -5.530  -0.278
    9    HB   ILE   2           HB       ILE   2  -7.725  -7.747   0.807
   10   1HG1  ILE   2          1HG1      ILE   2  -6.501  -7.269   2.896
   11   2HG1  ILE   2          2HG1      ILE   2  -5.691  -5.897   2.138
   12   1HG2  ILE   2          1HG2      ILE   2  -5.643  -8.778  -0.253
   13   2HG2  ILE   2          2HG2      ILE   2  -4.673  -7.780   0.843
   14   3HG2  ILE   2          3HG2      ILE   2  -5.766  -9.012   1.495
   15   1HD1  ILE   2          1HD1      ILE   2  -8.718  -6.181   2.320
   16   2HD1  ILE   2          2HD1      ILE   2  -7.742  -5.453   3.605
   17   3HD1  ILE   2          3HD1      ILE   2  -7.774  -4.703   2.003
   18    H    CYS   3           H        CYS   3  -4.759  -7.048  -1.868
   19    HA   CYS   3           HA       CYS   3  -2.765  -5.255  -0.905
   20   1HB   CYS   3          1HB       CYS   3  -2.570  -7.295  -2.503
   21   2HB   CYS   3          2HB       CYS   3  -2.921  -6.143  -3.800
   22    H    ASP   4           H        ASP   4  -5.069  -4.987  -3.572
   23    HA   ASP   4           HA       ASP   4  -4.165  -2.437  -4.603
   24   1HB   ASP   4          1HB       ASP   4  -5.551  -3.993  -5.960
   25   2HB   ASP   4          2HB       ASP   4  -6.906  -3.751  -4.837
   26    H    ILE   5           H        ILE   5  -6.642  -3.554  -2.319
   27    HA   ILE   5           HA       ILE   5  -7.742  -1.069  -1.621
   28    HB   ILE   5           HB       ILE   5  -7.313  -3.424   0.224
   29   1HG1  ILE   5          1HG1      ILE   5  -9.572  -2.629  -1.647
   30   2HG1  ILE   5          2HG1      ILE   5  -8.557  -4.024  -1.807
   31   1HG2  ILE   5          1HG2      ILE   5  -9.176  -1.065   0.472
   32   2HG2  ILE   5          2HG2      ILE   5  -9.164  -2.500   1.529
   33   3HG2  ILE   5          3HG2      ILE   5  -7.774  -1.433   1.502
   34   1HD1  ILE   5          1HD1      ILE   5  -9.544  -4.829   0.444
   35   2HD1  ILE   5          2HD1      ILE   5 -10.725  -3.519   0.236
   36   3HD1  ILE   5          3HD1      ILE   5 -10.597  -4.809  -0.976
   37    H    ALA   6           H        ALA   6  -4.935  -2.747  -0.039
   38    HA   ALA   6           HA       ALA   6  -4.248  -0.679   1.744
   39   1HB   ALA   6          1HB       ALA   6  -1.995  -1.728   1.747
   40   2HB   ALA   6          2HB       ALA   6  -3.241  -2.999   1.735
   41   3HB   ALA   6          3HB       ALA   6  -2.376  -2.595   0.253
   42    H    ILE   7           H        ILE   7  -3.409  -1.048  -1.685
   43    HA   ILE   7           HA       ILE   7  -1.624   1.188  -1.729
   44    HB   ILE   7           HB       ILE   7  -3.034  -0.302  -3.943
   45   1HG1  ILE   7          1HG1      ILE   7  -0.101  -0.307  -3.108
   46   2HG1  ILE   7          2HG1      ILE   7  -1.235  -1.416  -2.367
   47   1HG2  ILE   7          1HG2      ILE   7  -0.786   1.748  -4.079
   48   2HG2  ILE   7          2HG2      ILE   7  -1.361   0.769  -5.435
   49   3HG2  ILE   7          3HG2      ILE   7  -2.431   1.975  -4.726
   50   1HD1  ILE   7          1HD1      ILE   7  -1.828  -2.383  -4.532
   51   2HD1  ILE   7          2HD1      ILE   7  -0.655  -1.326  -5.345
   52   3HD1  ILE   7          3HD1      ILE   7  -0.099  -2.534  -4.167
   53    H    ALA   8           H        ALA   8  -5.083   0.902  -2.582
   54    HA   ALA   8           HA       ALA   8  -5.534   3.636  -3.259
   55   1HB   ALA   8          1HB       ALA   8  -7.157   1.917  -3.784
   56   2HB   ALA   8          2HB       ALA   8  -7.335   1.473  -2.073
   57   3HB   ALA   8          3HB       ALA   8  -7.897   3.051  -2.623
   58    H    GLN   9           H        GLN   9  -5.560   1.894  -0.215
   59    HA   GLN   9           HA       GLN   9  -6.452   4.101   1.497
   60   1HB   GLN   9          1HB       GLN   9  -5.200   1.377   2.011
   61   2HB   GLN   9          2HB       GLN   9  -5.781   2.404   3.296
   62   1HG   GLN   9          1HG       GLN   9  -7.548   1.299   1.047
   63   2HG   GLN   9          2HG       GLN   9  -7.361   0.583   2.644
   64   2HE2  GLN   9          2HE2      GLN   9  -9.333   2.479   0.783
   65   1HE2  GLN   9          1HE2      GLN   9 -10.253   3.179   2.096
   66    H    CYS  10           H        CYS  10  -3.622   3.315  -0.128
   67    HA   CYS  10           HA       CYS  10  -1.444   3.346   0.162
   68   1HB   CYS  10          1HB       CYS  10  -0.544   5.670   0.428
   69   2HB   CYS  10          2HB       CYS  10  -1.573   5.283  -0.925
   70    H    SER  11           H        SER  11  -1.660   2.009   2.061
   71    HA   SER  11           HA       SER  11  -0.576   3.284   4.530
   72   1HB   SER  11          1HB       SER  11  -3.041   3.196   4.717
   73   2HB   SER  11          2HB       SER  11  -3.011   1.459   4.387
   74    HG   SER  11           HG       SER  11  -3.094   2.003   6.641
   75    H    LEU  12           H        LEU  12   1.295   2.261   4.933
   76    HA   LEU  12           HA       LEU  12   1.993  -0.265   3.756
   77   1HB   LEU  12          1HB       LEU  12   3.333   1.028   6.123
   78   2HB   LEU  12          2HB       LEU  12   3.980  -0.184   5.024
   79    HG   LEU  12           HG       LEU  12   3.348   2.738   4.370
   80   1HD1  LEU  12          1HD1      LEU  12   5.866   1.042   4.600
   81   2HD1  LEU  12          2HD1      LEU  12   5.837   2.586   3.773
   82   3HD1  LEU  12          3HD1      LEU  12   5.454   2.528   5.503
   83   1HD2  LEU  12          1HD2      LEU  12   2.940   1.106   2.377
   84   2HD2  LEU  12          2HD2      LEU  12   4.126   2.408   2.154
   85   3HD2  LEU  12          3HD2      LEU  12   4.688   0.794   2.487
   86    H    THR  13           H        THR  13   0.763   0.684   7.029
   87    HA   THR  13           HA       THR  13   0.938  -1.884   8.149
   88    HB   THR  13           HB       THR  13  -1.290   0.169   8.523
   89    HG1  THR  13           HG1      THR  13   0.888  -0.273  10.245
   90   1HG2  THR  13          1HG2      THR  13  -0.351  -2.164  10.271
   91   2HG2  THR  13          2HG2      THR  13  -1.512  -0.912  10.773
   92   3HG2  THR  13          3HG2      THR  13  -1.909  -2.027   9.475
   93    H    LEU  14           H        LEU  14  -1.508  -0.692   5.809
   94    HA   LEU  14           HA       LEU  14  -3.044  -3.146   6.111
   95   1HB   LEU  14          1HB       LEU  14  -3.709  -0.694   5.257
   96   2HB   LEU  14          2HB       LEU  14  -3.433  -1.448   3.698
   97    HG   LEU  14           HG       LEU  14  -5.273  -2.312   5.991
   98   1HD1  LEU  14          1HD1      LEU  14  -5.976  -0.205   4.811
   99   2HD1  LEU  14          2HD1      LEU  14  -5.946  -1.105   3.278
  100   3HD1  LEU  14          3HD1      LEU  14  -7.111  -1.543   4.540
  101   1HD2  LEU  14          1HD2      LEU  14  -4.914  -3.442   3.219
  102   2HD2  LEU  14          2HD2      LEU  14  -4.661  -4.255   4.796
  103   3HD2  LEU  14          3HD2      LEU  14  -6.295  -3.788   4.297
  104    H    CYS  15           H        CYS  15  -0.173  -2.207   4.347
  105    HA   CYS  15           HA       CYS  15  -0.493  -4.097   2.164
  106   1HB   CYS  15          1HB       CYS  15   1.966  -2.724   3.305
  107   2HB   CYS  15          2HB       CYS  15   2.067  -3.973   2.096
  108    H    GLN  16           H        GLN  16   0.219  -4.451   5.531
  109    HA   GLN  16           HA       GLN  16   1.569  -6.942   5.557
  110   1HB   GLN  16          1HB       GLN  16  -0.671  -5.896   7.310
  111   2HB   GLN  16          2HB       GLN  16   0.356  -7.263   7.705
  112   1HG   GLN  16          1HG       GLN  16   1.531  -4.471   7.157
  113   2HG   GLN  16          2HG       GLN  16   0.971  -4.972   8.740
  114   2HE2  GLN  16          2HE2      GLN  16   1.825  -7.208   9.423
  115   1HE2  GLN  16          1HE2      GLN  16   3.566  -7.463   9.180
  116    H    ASP  17           H        ASP  17  -1.917  -6.136   4.963
  117    HA   ASP  17           HA       ASP  17  -2.701  -8.935   4.882
  118   1HB   ASP  17          1HB       ASP  17  -4.177  -6.461   3.870
  119   2HB   ASP  17          2HB       ASP  17  -4.799  -8.103   3.975
  120    H    CYS  18           H        CYS  18  -0.962  -6.979   2.642
  121    HA   CYS  18           HA       CYS  18  -2.141  -8.151   0.227
  122   1HB   CYS  18          1HB       CYS  18  -1.017  -5.944   0.107
  123   2HB   CYS  18          2HB       CYS  18   0.489  -6.677   0.623
  124    H    GLU  19           H        GLU  19  -1.130  -9.772  -1.036
  125    HA   GLU  19           HA       GLU  19   0.115 -12.004   0.080
  126   1HB   GLU  19          1HB       GLU  19  -0.998 -11.931  -2.027
  127   2HB   GLU  19          2HB       GLU  19   0.225 -10.844  -2.670
  128   1HG   GLU  19          1HG       GLU  19   1.900 -12.661  -2.537
  129   2HG   GLU  19          2HG       GLU  19   0.677 -13.731  -1.825
  130    H    ASN  20           H        ASN  20   1.643  -9.380  -1.793
  131    HA   ASN  20           HA       ASN  20   4.292  -9.967  -0.615
  132   1HB   ASN  20          1HB       ASN  20   5.060  -8.790  -2.694
  133   2HB   ASN  20          2HB       ASN  20   4.357 -10.392  -2.853
  134   2HD2  ASN  20          2HD2      ASN  20   2.877  -7.056  -2.814
  135   1HD2  ASN  20          1HD2      ASN  20   2.058  -7.281  -4.354
  136    H    THR  21           H        THR  21   3.842  -8.745   1.320
  137    HA   THR  21           HA       THR  21   2.978  -6.178   1.531
  138    HB   THR  21           HB       THR  21   5.089  -7.508   3.154
  139    HG1  THR  21           HG1      THR  21   2.240  -7.529   3.142
  140   1HG2  THR  21          1HG2      THR  21   3.158  -5.318   4.007
  141   2HG2  THR  21          2HG2      THR  21   4.234  -6.245   5.057
  142   3HG2  THR  21          3HG2      THR  21   4.911  -5.150   3.844
  143    HA   PRO  22           HA       PRO  22   7.180  -4.046   0.930
  144   1HB   PRO  22          1HB       PRO  22   9.217  -5.198  -0.491
  145   2HB   PRO  22          2HB       PRO  22   8.995  -5.499   1.241
  146   1HG   PRO  22          1HG       PRO  22   8.063  -7.267  -1.031
  147   2HG   PRO  22          2HG       PRO  22   8.961  -7.751   0.428
  148   1HD   PRO  22          1HD       PRO  22   6.297  -8.016   0.275
  149   2HD   PRO  22          2HD       PRO  22   7.046  -7.503   1.807
  150    H    ILE  23           H        ILE  23   6.227  -6.172  -1.788
  151    HA   ILE  23           HA       ILE  23   6.786  -4.270  -3.876
  152    HB   ILE  23           HB       ILE  23   5.051  -6.657  -3.570
  153   1HG1  ILE  23          1HG1      ILE  23   7.653  -6.633  -3.786
  154   2HG1  ILE  23          2HG1      ILE  23   6.695  -7.750  -4.725
  155   1HG2  ILE  23          1HG2      ILE  23   5.202  -4.891  -6.032
  156   2HG2  ILE  23          2HG2      ILE  23   4.637  -6.579  -6.037
  157   3HG2  ILE  23          3HG2      ILE  23   3.752  -5.355  -5.123
  158   1HD1  ILE  23          1HD1      ILE  23   7.613  -5.092  -5.852
  159   2HD1  ILE  23          2HD1      ILE  23   8.543  -6.588  -6.003
  160   3HD1  ILE  23          3HD1      ILE  23   6.930  -6.467  -6.729
  161    H    CYS  24           H        CYS  24   4.034  -5.015  -1.779
  162    HA   CYS  24           HA       CYS  24   2.175  -3.097  -2.846
  163   1HB   CYS  24          1HB       CYS  24   1.442  -4.940  -1.592
  164   2HB   CYS  24          2HB       CYS  24   2.341  -4.505  -0.160
  165    H    GLU  25           H        GLU  25   4.522  -2.987  -0.130
  166    HA   GLU  25           HA       GLU  25   3.995  -0.437   0.819
  167   1HB   GLU  25          1HB       GLU  25   6.461  -2.169   0.617
  168   2HB   GLU  25          2HB       GLU  25   6.685  -0.594   1.144
  169   1HG   GLU  25          1HG       GLU  25   4.713  -1.284   2.915
  170   2HG   GLU  25          2HG       GLU  25   5.301  -2.878   2.513
  171    H    LEU  26           H        LEU  26   6.154  -1.472  -1.803
  172    HA   LEU  26           HA       LEU  26   7.148   1.087  -2.504
  173   1HB   LEU  26          1HB       LEU  26   7.900  -1.292  -3.150
  174   2HB   LEU  26          2HB       LEU  26   6.781  -1.105  -4.489
  175    HG   LEU  26           HG       LEU  26   9.192  -0.547  -4.812
  176   1HD1  LEU  26          1HD1      LEU  26   7.420   0.227  -6.374
  177   2HD1  LEU  26          2HD1      LEU  26   7.387   1.791  -5.524
  178   3HD1  LEU  26          3HD1      LEU  26   8.854   1.258  -6.365
  179   1HD2  LEU  26          1HD2      LEU  26   9.579   0.715  -2.698
  180   2HD2  LEU  26          2HD2      LEU  26  10.257   1.415  -4.177
  181   3HD2  LEU  26          3HD2      LEU  26   8.796   2.119  -3.484
  182    H    ALA  27           H        ALA  27   4.326  -0.791  -3.714
  183    HA   ALA  27           HA       ALA  27   3.424   1.202  -5.568
  184   1HB   ALA  27          1HB       ALA  27   1.869  -0.952  -4.101
  185   2HB   ALA  27          2HB       ALA  27   1.285   0.010  -5.483
  186   3HB   ALA  27          3HB       ALA  27   2.651  -1.106  -5.683
  187    H    VAL  28           H        VAL  28   2.840   0.762  -2.077
  188    HA   VAL  28           HA       VAL  28   0.811   2.731  -1.813
  189    HB   VAL  28           HB       VAL  28   2.672   1.425   0.106
  190   1HG1  VAL  28          1HG1      VAL  28   0.890   3.824   0.635
  191   2HG1  VAL  28          2HG1      VAL  28   1.324   2.685   1.927
  192   3HG1  VAL  28          3HG1      VAL  28   2.592   3.544   1.065
  193   1HG2  VAL  28          1HG2      VAL  28   0.627   0.228  -0.636
  194   2HG2  VAL  28          2HG2      VAL  28   0.578   0.640   1.100
  195   3HG2  VAL  28          3HG2      VAL  28  -0.344   1.582  -0.051
  196    H    LYS  29           H        LYS  29   4.454   3.039  -1.244
  197    HA   LYS  29           HA       LYS  29   4.532   5.830  -1.069
  198   1HB   LYS  29          1HB       LYS  29   6.329   3.826  -2.547
  199   2HB   LYS  29          2HB       LYS  29   6.669   5.520  -2.297
  200   1HG   LYS  29          1HG       LYS  29   6.981   5.255   0.058
  201   2HG   LYS  29          2HG       LYS  29   6.519   3.527   0.008
  202   1HD   LYS  29          1HD       LYS  29   8.452   2.871  -1.138
  203   2HD   LYS  29          2HD       LYS  29   8.631   4.431  -1.934
  204   1HE   LYS  29          1HE       LYS  29  10.423   4.365  -0.503
  205   2HE   LYS  29          2HE       LYS  29   9.294   5.473   0.269
  206   1HZ   LYS  29          1HZ       LYS  29   8.707   3.280   1.657
  207   2HZ   LYS  29          2HZ       LYS  29  10.121   2.780   1.057
  208   3HZ   LYS  29          3HZ       LYS  29  10.137   4.111   1.910
  209    H    GLY  30           H        GLY  30   4.420   3.787  -4.016
  210   1HA   GLY  30          1HA       GLY  30   3.682   4.222  -6.139
  211   2HA   GLY  30          2HA       GLY  30   4.448   5.816  -5.942
  212    H    SER  31           H        SER  31   1.723   4.663  -4.007
  213    HA   SER  31           HA       SER  31  -0.264   6.053  -5.596
  214   1HB   SER  31          1HB       SER  31  -0.732   3.957  -4.457
  215   2HB   SER  31          2HB       SER  31  -0.369   4.675  -2.881
  216    HG   SER  31           HG       SER  31  -2.568   4.646  -3.171
  217    H    CYS  32           H        CYS  32   1.166   6.506  -2.323
  218    HA   CYS  32           HA       CYS  32   0.497   9.411  -2.417
  219   1HB   CYS  32          1HB       CYS  32   0.133   7.551  -0.081
  220   2HB   CYS  32          2HB       CYS  32  -0.126   9.266   0.009
  221    HA   PRO  33           HA       PRO  33   4.829   8.901  -1.674
  222   1HB   PRO  33          1HB       PRO  33   5.652  11.500  -1.210
  223   2HB   PRO  33          2HB       PRO  33   5.181  10.855  -2.808
  224   1HG   PRO  33          1HG       PRO  33   3.471  12.438  -0.880
  225   2HG   PRO  33          2HG       PRO  33   3.652  12.679  -2.641
  226   1HD   PRO  33          1HD       PRO  33   1.557  11.313  -1.556
  227   2HD   PRO  33          2HD       PRO  33   2.267  10.836  -3.124
  228    HA   PRO  34           HA       PRO  34   5.178   8.602   2.714
  229   1HB   PRO  34          1HB       PRO  34   7.917   8.489   3.137
  230   2HB   PRO  34          2HB       PRO  34   7.012   7.202   2.311
  231   1HG   PRO  34          1HG       PRO  34   8.529   9.457   1.018
  232   2HG   PRO  34          2HG       PRO  34   8.624   7.711   0.664
  233   1HD   PRO  34          1HD       PRO  34   7.073   9.381  -0.816
  234   2HD   PRO  34          2HD       PRO  34   6.525   7.727  -0.429
  235    HA   PRO  35           HA       PRO  35   5.836   8.778   4.909
  236   1HB   PRO  35          1HB       PRO  35   5.187   9.984   7.212
  237   2HB   PRO  35          2HB       PRO  35   6.878   9.946   6.644
  238   1HG   PRO  35          1HG       PRO  35   4.898  12.228   6.318
  239   2HG   PRO  35          2HG       PRO  35   6.564  12.314   6.943
  240   1HD   PRO  35          1HD       PRO  35   5.944  12.830   4.319
  241   2HD   PRO  35          2HD       PRO  35   7.481  12.046   4.776
  242    H    TRP  36           H        TRP  36   3.856   7.795   5.199
  243    HA   TRP  36           HA       TRP  36   1.418   9.069   4.268
  244   1HB   TRP  36          1HB       TRP  36   1.802   6.385   5.656
  245   2HB   TRP  36          2HB       TRP  36   0.410   6.911   4.697
  246    HD1  TRP  36           HD1      TRP  36   0.605   6.559   2.060
  247    HE1  TRP  36           HE1      TRP  36   2.425   5.948   0.455
  248    HE3  TRP  36           HE3      TRP  36   4.520   5.874   5.378
  249    HZ2  TRP  36           HZ2      TRP  36   4.923   4.662   0.678
  250    HZ3  TRP  36           HZ3      TRP  36   6.602   4.971   4.622
  251    HH2  TRP  36           HH2      TRP  36   6.883   4.331   2.238
  252    H    SER  37           H        SER  37   0.778  10.725   5.617
  253    HA   SER  37           HA       SER  37   0.142  10.163   8.435
  254   1HB   SER  37          1HB       SER  37   1.604  12.656   7.475
  255   2HB   SER  37          2HB       SER  37   1.261  12.188   9.147
  256    HG   SER  37           HG       SER  37   3.019  10.995   7.256

  No H/Q in entry =         256
  Start of MODEL   14
    1    H1   ASP   1           H1       ASP   1  -7.935  -6.263  -5.148
    2    H2   ASP   1           H2       ASP   1  -6.538  -6.669  -5.901
    3    H3   ASP   1           H3       ASP   1  -7.895  -7.640  -6.011
    4    HA   ASP   1           HA       ASP   1  -7.760  -8.372  -3.860
    5   1HB   ASP   1          1HB       ASP   1  -5.538  -9.219  -3.440
    6   2HB   ASP   1          2HB       ASP   1  -5.939  -9.359  -5.149
    7    H    ILE   2           H        ILE   2  -6.433  -8.190  -1.739
    8    HA   ILE   2           HA       ILE   2  -6.924  -5.743  -0.520
    9    HB   ILE   2           HB       ILE   2  -6.635  -8.016   0.430
   10   1HG1  ILE   2          1HG1      ILE   2  -7.102  -6.700   2.089
   11   2HG1  ILE   2          2HG1      ILE   2  -5.625  -7.533   2.576
   12   1HG2  ILE   2          1HG2      ILE   2  -4.308  -8.462  -0.558
   13   2HG2  ILE   2          2HG2      ILE   2  -3.712  -7.344   0.695
   14   3HG2  ILE   2          3HG2      ILE   2  -4.481  -8.864   1.161
   15   1HD1  ILE   2          1HD1      ILE   2  -4.345  -5.476   1.909
   16   2HD1  ILE   2          2HD1      ILE   2  -5.943  -4.672   1.724
   17   3HD1  ILE   2          3HD1      ILE   2  -5.458  -5.323   3.295
   18    H    CYS   3           H        CYS   3  -4.048  -6.694  -2.396
   19    HA   CYS   3           HA       CYS   3  -2.251  -4.685  -1.302
   20   1HB   CYS   3          1HB       CYS   3  -2.302  -6.472  -3.666
   21   2HB   CYS   3          2HB       CYS   3  -1.735  -4.847  -4.051
   22    H    ASP   4           H        ASP   4  -4.664  -4.790  -3.900
   23    HA   ASP   4           HA       ASP   4  -4.256  -2.025  -4.673
   24   1HB   ASP   4          1HB       ASP   4  -5.112  -3.701  -6.169
   25   2HB   ASP   4          2HB       ASP   4  -6.605  -3.840  -5.232
   26    H    ILE   5           H        ILE   5  -6.458  -3.667  -2.441
   27    HA   ILE   5           HA       ILE   5  -8.007  -1.415  -1.643
   28    HB   ILE   5           HB       ILE   5  -7.069  -3.696   0.095
   29   1HG1  ILE   5          1HG1      ILE   5  -9.574  -3.248  -1.561
   30   2HG1  ILE   5          2HG1      ILE   5  -8.373  -4.460  -1.844
   31   1HG2  ILE   5          1HG2      ILE   5  -7.839  -1.718   1.403
   32   2HG2  ILE   5          2HG2      ILE   5  -9.401  -1.835   0.561
   33   3HG2  ILE   5          3HG2      ILE   5  -8.815  -3.159   1.600
   34   1HD1  ILE   5          1HD1      ILE   5  -9.017  -5.499   0.401
   35   2HD1  ILE   5          2HD1      ILE   5 -10.348  -4.317   0.471
   36   3HD1  ILE   5          3HD1      ILE   5 -10.296  -5.492  -0.836
   37    H    ALA   6           H        ALA   6  -4.911  -2.646  -0.302
   38    HA   ALA   6           HA       ALA   6  -4.545  -0.599   1.648
   39   1HB   ALA   6          1HB       ALA   6  -2.268  -1.468   1.795
   40   2HB   ALA   6          2HB       ALA   6  -3.381  -2.844   1.630
   41   3HB   ALA   6          3HB       ALA   6  -2.448  -2.294   0.231
   42    H    ILE   7           H        ILE   7  -3.682  -0.820  -1.788
   43    HA   ILE   7           HA       ILE   7  -2.201   1.643  -1.843
   44    HB   ILE   7           HB       ILE   7  -3.493   0.035  -4.032
   45   1HG1  ILE   7          1HG1      ILE   7  -0.528   0.482  -3.466
   46   2HG1  ILE   7          2HG1      ILE   7  -1.403  -0.781  -2.614
   47   1HG2  ILE   7          1HG2      ILE   7  -1.686   2.483  -4.213
   48   2HG2  ILE   7          2HG2      ILE   7  -2.108   1.439  -5.585
   49   3HG2  ILE   7          3HG2      ILE   7  -3.364   2.372  -4.776
   50   1HD1  ILE   7          1HD1      ILE   7  -2.096  -1.790  -4.770
   51   2HD1  ILE   7          2HD1      ILE   7  -1.105  -0.595  -5.627
   52   3HD1  ILE   7          3HD1      ILE   7  -0.355  -1.773  -4.523
   53    H    ALA   8           H        ALA   8  -5.650   0.889  -2.494
   54    HA   ALA   8           HA       ALA   8  -6.495   3.504  -3.095
   55   1HB   ALA   8          1HB       ALA   8  -7.937   1.405  -3.175
   56   2HB   ALA   8          2HB       ALA   8  -8.048   1.470  -1.411
   57   3HB   ALA   8          3HB       ALA   8  -8.702   2.791  -2.365
   58    H    GLN   9           H        GLN   9  -6.061   1.853  -0.014
   59    HA   GLN   9           HA       GLN   9  -6.738   4.144   1.678
   60   1HB   GLN   9          1HB       GLN   9  -5.551   1.376   2.126
   61   2HB   GLN   9          2HB       GLN   9  -5.752   2.508   3.429
   62   1HG   GLN   9          1HG       GLN   9  -8.285   2.584   2.264
   63   2HG   GLN   9          2HG       GLN   9  -7.792   0.932   1.906
   64   2HE2  GLN   9          2HE2      GLN   9  -9.076  -0.248   3.423
   65   1HE2  GLN   9          1HE2      GLN   9  -9.085   0.101   5.123
   66    H    CYS  10           H        CYS  10  -4.028   3.366  -0.143
   67    HA   CYS  10           HA       CYS  10  -1.827   3.195   0.181
   68   1HB   CYS  10          1HB       CYS  10  -0.738   5.480   0.329
   69   2HB   CYS  10          2HB       CYS  10  -1.747   5.050  -1.033
   70    H    SER  11           H        SER  11  -2.171   1.972   2.142
   71    HA   SER  11           HA       SER  11  -0.949   3.282   4.554
   72   1HB   SER  11          1HB       SER  11  -3.288   2.951   5.039
   73   2HB   SER  11          2HB       SER  11  -3.206   1.268   4.505
   74    HG   SER  11           HG       SER  11  -2.385   2.392   6.899
   75    H    LEU  12           H        LEU  12   1.007   2.482   4.823
   76    HA   LEU  12           HA       LEU  12   1.979   0.043   3.700
   77   1HB   LEU  12          1HB       LEU  12   3.057   1.739   5.967
   78   2HB   LEU  12          2HB       LEU  12   3.923   0.435   5.152
   79    HG   LEU  12           HG       LEU  12   2.915   3.011   3.828
   80   1HD1  LEU  12          1HD1      LEU  12   5.696   2.012   4.539
   81   2HD1  LEU  12          2HD1      LEU  12   5.335   3.476   3.601
   82   3HD1  LEU  12          3HD1      LEU  12   4.826   3.363   5.304
   83   1HD2  LEU  12          1HD2      LEU  12   2.992   1.088   2.192
   84   2HD2  LEU  12          2HD2      LEU  12   4.194   2.323   1.874
   85   3HD2  LEU  12          3HD2      LEU  12   4.685   0.820   2.666
   86    H    THR  13           H        THR  13   0.284   0.695   6.714
   87    HA   THR  13           HA       THR  13   1.091  -1.848   7.881
   88    HB   THR  13           HB       THR  13  -1.249  -0.151   8.698
   89    HG1  THR  13           HG1      THR  13   1.478   0.138   9.478
   90   1HG2  THR  13          1HG2      THR  13   0.713  -1.932  10.248
   91   2HG2  THR  13          2HG2      THR  13  -0.636  -1.016  10.949
   92   3HG2  THR  13          3HG2      THR  13  -0.960  -2.349   9.837
   93    H    LEU  14           H        LEU  14  -1.886  -0.685   6.093
   94    HA   LEU  14           HA       LEU  14  -3.226  -3.165   6.480
   95   1HB   LEU  14          1HB       LEU  14  -4.325  -1.029   6.017
   96   2HB   LEU  14          2HB       LEU  14  -3.491  -0.952   4.456
   97    HG   LEU  14           HG       LEU  14  -4.516  -2.773   3.586
   98   1HD1  LEU  14          1HD1      LEU  14  -5.847  -2.992   6.298
   99   2HD1  LEU  14          2HD1      LEU  14  -6.463  -3.841   4.855
  100   3HD1  LEU  14          3HD1      LEU  14  -4.850  -4.234   5.475
  101   1HD2  LEU  14          1HD2      LEU  14  -5.698  -0.528   3.576
  102   2HD2  LEU  14          2HD2      LEU  14  -6.824  -1.906   3.456
  103   3HD2  LEU  14          3HD2      LEU  14  -6.606  -1.065   5.003
  104    H    CYS  15           H        CYS  15  -0.702  -1.878   4.334
  105    HA   CYS  15           HA       CYS  15  -0.846  -3.860   2.324
  106   1HB   CYS  15          1HB       CYS  15   1.295  -2.023   3.327
  107   2HB   CYS  15          2HB       CYS  15   1.823  -3.408   2.400
  108    H    GLN  16           H        GLN  16   0.269  -4.224   5.657
  109    HA   GLN  16           HA       GLN  16   1.885  -6.559   5.147
  110   1HB   GLN  16          1HB       GLN  16   0.441  -5.708   7.677
  111   2HB   GLN  16          2HB       GLN  16   1.557  -7.057   7.519
  112   1HG   GLN  16          1HG       GLN  16   3.252  -5.277   6.607
  113   2HG   GLN  16          2HG       GLN  16   2.138  -4.094   7.315
  114   2HE2  GLN  16          2HE2      GLN  16   3.954  -7.118   8.048
  115   1HE2  GLN  16          1HE2      GLN  16   4.107  -6.856   9.772
  116    H    ASP  17           H        ASP  17  -1.582  -6.097   4.994
  117    HA   ASP  17           HA       ASP  17  -2.283  -8.878   5.500
  118   1HB   ASP  17          1HB       ASP  17  -3.615  -6.672   3.856
  119   2HB   ASP  17          2HB       ASP  17  -4.258  -8.295   4.084
  120    H    CYS  18           H        CYS  18  -1.066  -6.904   2.768
  121    HA   CYS  18           HA       CYS  18  -2.052  -8.756   0.781
  122   1HB   CYS  18          1HB       CYS  18  -1.732  -6.388   0.168
  123   2HB   CYS  18          2HB       CYS  18   0.003  -6.534   0.486
  124    H    GLU  19           H        GLU  19  -1.112 -10.545   0.170
  125    HA   GLU  19           HA       GLU  19   0.816 -12.050   1.115
  126   1HB   GLU  19          1HB       GLU  19  -0.787 -12.440  -0.781
  127   2HB   GLU  19          2HB       GLU  19   0.416 -11.676  -1.816
  128   1HG   GLU  19          1HG       GLU  19   0.661 -14.281  -0.267
  129   2HG   GLU  19          2HG       GLU  19   0.449 -14.107  -2.000
  130    H    ASN  20           H        ASN  20   1.626  -9.844  -1.702
  131    HA   ASN  20           HA       ASN  20   4.485 -10.216  -1.101
  132   1HB   ASN  20          1HB       ASN  20   4.795  -9.215  -3.262
  133   2HB   ASN  20          2HB       ASN  20   3.823 -10.685  -3.358
  134   2HD2  ASN  20          2HD2      ASN  20   3.790  -9.193  -5.560
  135   1HD2  ASN  20          1HD2      ASN  20   2.261  -8.307  -5.679
  136    H    THR  21           H        THR  21   3.605  -9.004   0.933
  137    HA   THR  21           HA       THR  21   2.987  -6.497   1.256
  138    HB   THR  21           HB       THR  21   5.274  -7.715   2.731
  139    HG1  THR  21           HG1      THR  21   2.511  -8.218   2.670
  140   1HG2  THR  21          1HG2      THR  21   3.208  -5.614   3.484
  141   2HG2  THR  21          2HG2      THR  21   4.276  -6.435   4.643
  142   3HG2  THR  21          3HG2      THR  21   4.962  -5.401   3.389
  143    HA   PRO  22           HA       PRO  22   7.117  -4.297   0.482
  144   1HB   PRO  22          1HB       PRO  22   8.960  -5.453  -1.291
  145   2HB   PRO  22          2HB       PRO  22   9.058  -5.584   0.484
  146   1HG   PRO  22          1HG       PRO  22   7.829  -7.536  -1.486
  147   2HG   PRO  22          2HG       PRO  22   8.968  -7.898  -0.157
  148   1HD   PRO  22          1HD       PRO  22   6.344  -8.310   0.168
  149   2HD   PRO  22          2HD       PRO  22   7.260  -7.533   1.484
  150    H    ILE  23           H        ILE  23   5.688  -6.283  -2.149
  151    HA   ILE  23           HA       ILE  23   6.151  -4.274  -4.187
  152    HB   ILE  23           HB       ILE  23   4.131  -6.445  -4.079
  153   1HG1  ILE  23          1HG1      ILE  23   6.409  -7.272  -4.025
  154   2HG1  ILE  23          2HG1      ILE  23   5.693  -7.501  -5.634
  155   1HG2  ILE  23          1HG2      ILE  23   4.946  -4.537  -6.310
  156   2HG2  ILE  23          2HG2      ILE  23   4.020  -6.029  -6.552
  157   3HG2  ILE  23          3HG2      ILE  23   3.343  -4.723  -5.584
  158   1HD1  ILE  23          1HD1      ILE  23   6.996  -5.542  -6.458
  159   2HD1  ILE  23          2HD1      ILE  23   7.805  -5.455  -4.873
  160   3HD1  ILE  23          3HD1      ILE  23   7.981  -6.896  -5.867
  161    H    CYS  24           H        CYS  24   3.652  -5.159  -1.839
  162    HA   CYS  24           HA       CYS  24   1.694  -3.228  -2.519
  163   1HB   CYS  24          1HB       CYS  24   1.517  -5.215  -0.915
  164   2HB   CYS  24          2HB       CYS  24   2.239  -4.203   0.307
  165    H    GLU  25           H        GLU  25   4.344  -3.100  -0.104
  166    HA   GLU  25           HA       GLU  25   4.042  -0.480   0.822
  167   1HB   GLU  25          1HB       GLU  25   6.308  -2.429   0.468
  168   2HB   GLU  25          2HB       GLU  25   6.735  -0.856   0.929
  169   1HG   GLU  25          1HG       GLU  25   4.682  -1.462   2.767
  170   2HG   GLU  25          2HG       GLU  25   5.496  -3.003   2.531
  171    H    LEU  26           H        LEU  26   5.976  -1.730  -1.898
  172    HA   LEU  26           HA       LEU  26   7.127   0.668  -2.753
  173   1HB   LEU  26          1HB       LEU  26   7.777  -1.578  -3.379
  174   2HB   LEU  26          2HB       LEU  26   6.331  -1.784  -4.353
  175    HG   LEU  26           HG       LEU  26   8.603  -1.174  -5.327
  176   1HD1  LEU  26          1HD1      LEU  26   6.508  -1.386  -6.652
  177   2HD1  LEU  26          2HD1      LEU  26   6.152   0.328  -6.340
  178   3HD1  LEU  26          3HD1      LEU  26   7.574  -0.131  -7.296
  179   1HD2  LEU  26          1HD2      LEU  26   9.086   0.793  -4.015
  180   2HD2  LEU  26          2HD2      LEU  26   9.141   1.116  -5.761
  181   3HD2  LEU  26          3HD2      LEU  26   7.744   1.637  -4.823
  182    H    ALA  27           H        ALA  27   4.131  -0.877  -3.938
  183    HA   ALA  27           HA       ALA  27   3.389   1.190  -5.730
  184   1HB   ALA  27          1HB       ALA  27   2.446  -1.074  -5.800
  185   2HB   ALA  27          2HB       ALA  27   1.161   0.142  -5.639
  186   3HB   ALA  27          3HB       ALA  27   1.674  -0.813  -4.221
  187    H    VAL  28           H        VAL  28   2.503   0.659  -2.276
  188    HA   VAL  28           HA       VAL  28   0.797   2.894  -1.998
  189    HB   VAL  28           HB       VAL  28   2.468   1.362  -0.063
  190   1HG1  VAL  28          1HG1      VAL  28   0.669   3.743   0.523
  191   2HG1  VAL  28          2HG1      VAL  28   1.178   2.585   1.761
  192   3HG1  VAL  28          3HG1      VAL  28   2.383   3.587   0.948
  193   1HG2  VAL  28          1HG2      VAL  28  -0.506   1.673  -0.557
  194   2HG2  VAL  28          2HG2      VAL  28   0.451   0.242  -0.922
  195   3HG2  VAL  28          3HG2      VAL  28   0.166   0.743   0.768
  196    H    LYS  29           H        LYS  29   4.420   2.661  -1.512
  197    HA   LYS  29           HA       LYS  29   4.647   5.392  -0.776
  198   1HB   LYS  29          1HB       LYS  29   6.559   3.285  -1.906
  199   2HB   LYS  29          2HB       LYS  29   7.066   4.918  -1.475
  200   1HG   LYS  29          1HG       LYS  29   6.425   4.611   0.820
  201   2HG   LYS  29          2HG       LYS  29   5.679   3.050   0.473
  202   1HD   LYS  29          1HD       LYS  29   7.812   2.056  -0.059
  203   2HD   LYS  29          2HD       LYS  29   8.658   3.597   0.118
  204   1HE   LYS  29          1HE       LYS  29   7.169   2.177   2.380
  205   2HE   LYS  29          2HE       LYS  29   8.901   2.033   2.071
  206   1HZ   LYS  29          1HZ       LYS  29   7.606   4.599   2.723
  207   2HZ   LYS  29          2HZ       LYS  29   8.408   3.678   3.781
  208   3HZ   LYS  29          3HZ       LYS  29   9.213   4.336   2.544
  209    H    GLY  30           H        GLY  30   4.517   3.666  -3.884
  210   1HA   GLY  30          1HA       GLY  30   4.274   4.425  -6.022
  211   2HA   GLY  30          2HA       GLY  30   5.226   5.854  -5.597
  212    H    SER  31           H        SER  31   2.253   4.893  -3.943
  213    HA   SER  31           HA       SER  31   0.477   6.426  -5.632
  214   1HB   SER  31          1HB       SER  31  -0.117   4.250  -4.578
  215   2HB   SER  31          2HB       SER  31   0.010   4.997  -2.977
  216    HG   SER  31           HG       SER  31  -1.992   5.217  -4.874
  217    H    CYS  32           H        CYS  32   1.622   6.688  -2.207
  218    HA   CYS  32           HA       CYS  32   0.650   9.522  -2.149
  219   1HB   CYS  32          1HB       CYS  32   0.236   7.363  -0.092
  220   2HB   CYS  32          2HB       CYS  32  -0.178   9.047   0.178
  221    HA   PRO  33           HA       PRO  33   4.719   9.912  -0.371
  222   1HB   PRO  33          1HB       PRO  33   4.651  12.450   0.612
  223   2HB   PRO  33          2HB       PRO  33   4.538  12.125  -1.137
  224   1HG   PRO  33          1HG       PRO  33   2.298  12.671   0.819
  225   2HG   PRO  33          2HG       PRO  33   2.555  13.389  -0.803
  226   1HD   PRO  33          1HD       PRO  33   0.859  11.258  -0.317
  227   2HD   PRO  33          2HD       PRO  33   1.714  11.509  -1.860
  228    HA   PRO  34           HA       PRO  34   4.328   9.075   3.968
  229   1HB   PRO  34          1HB       PRO  34   6.713  10.053   5.047
  230   2HB   PRO  34          2HB       PRO  34   6.651   8.580   4.095
  231   1HG   PRO  34          1HG       PRO  34   7.384  11.334   3.153
  232   2HG   PRO  34          2HG       PRO  34   8.187   9.775   2.788
  233   1HD   PRO  34          1HD       PRO  34   6.449  10.962   1.043
  234   2HD   PRO  34          2HD       PRO  34   6.531   9.187   1.220
  235    HA   PRO  35           HA       PRO  35   4.421   9.242   6.262
  236   1HB   PRO  35          1HB       PRO  35   2.763   9.783   8.307
  237   2HB   PRO  35          2HB       PRO  35   4.408  10.474   8.242
  238   1HG   PRO  35          1HG       PRO  35   1.820  11.821   7.402
  239   2HG   PRO  35          2HG       PRO  35   3.088  12.467   8.484
  240   1HD   PRO  35          1HD       PRO  35   2.996  13.061   5.807
  241   2HD   PRO  35          2HD       PRO  35   4.549  12.863   6.675
  242    H    TRP  36           H        TRP  36   2.880   7.509   6.216
  243    HA   TRP  36           HA       TRP  36   0.403   7.991   4.633
  244   1HB   TRP  36          1HB       TRP  36   1.700   5.416   5.602
  245   2HB   TRP  36          2HB       TRP  36   0.243   5.562   4.628
  246    HD1  TRP  36           HD1      TRP  36   0.550   6.263   2.080
  247    HE1  TRP  36           HE1      TRP  36   2.529   6.630   0.509
  248    HE3  TRP  36           HE3      TRP  36   4.357   5.850   5.473
  249    HZ2  TRP  36           HZ2      TRP  36   5.363   6.948   0.728
  250    HZ3  TRP  36           HZ3      TRP  36   6.697   6.086   4.731
  251    HH2  TRP  36           HH2      TRP  36   7.203   6.741   2.369
  252    H    SER  37           H        SER  37  -0.476   9.346   6.213
  253    HA   SER  37           HA       SER  37  -1.737   8.050   8.545
  254   1HB   SER  37          1HB       SER  37  -0.077  10.612   8.649
  255   2HB   SER  37          2HB       SER  37  -1.017   9.950   9.988
  256    HG   SER  37           HG       SER  37   1.302   9.447   9.950

  No H/Q in entry =         256
  Start of MODEL   15
    1    H1   ASP   1           H1       ASP   1  -8.023  -6.015  -5.556
    2    H2   ASP   1           H2       ASP   1  -6.414  -5.887  -5.807
    3    H3   ASP   1           H3       ASP   1  -7.253  -7.106  -6.552
    4    HA   ASP   1           HA       ASP   1  -7.542  -8.098  -4.311
    5   1HB   ASP   1          1HB       ASP   1  -5.131  -8.693  -3.973
    6   2HB   ASP   1          2HB       ASP   1  -5.646  -8.863  -5.647
    7    H    ILE   2           H        ILE   2  -6.211  -8.080  -2.137
    8    HA   ILE   2           HA       ILE   2  -7.002  -5.672  -0.805
    9    HB   ILE   2           HB       ILE   2  -6.819  -8.023  -0.017
   10   1HG1  ILE   2          1HG1      ILE   2  -7.436  -6.836   1.705
   11   2HG1  ILE   2          2HG1      ILE   2  -6.022  -7.725   2.272
   12   1HG2  ILE   2          1HG2      ILE   2  -4.379  -8.414  -0.751
   13   2HG2  ILE   2          2HG2      ILE   2  -3.946  -7.417   0.662
   14   3HG2  ILE   2          3HG2      ILE   2  -4.770  -8.962   0.890
   15   1HD1  ILE   2          1HD1      ILE   2  -4.677  -5.621   1.848
   16   2HD1  ILE   2          2HD1      ILE   2  -6.252  -4.801   1.589
   17   3HD1  ILE   2          3HD1      ILE   2  -5.897  -5.568   3.145
   18    H    CYS   3           H        CYS   3  -3.980  -6.617  -2.409
   19    HA   CYS   3           HA       CYS   3  -2.334  -4.490  -1.345
   20   1HB   CYS   3          1HB       CYS   3  -2.438  -6.160  -3.865
   21   2HB   CYS   3          2HB       CYS   3  -1.645  -4.603  -3.982
   22    H    ASP   4           H        ASP   4  -4.654  -4.639  -4.110
   23    HA   ASP   4           HA       ASP   4  -4.333  -1.929  -4.940
   24   1HB   ASP   4          1HB       ASP   4  -5.432  -3.671  -6.288
   25   2HB   ASP   4          2HB       ASP   4  -6.758  -3.735  -5.122
   26    H    ILE   5           H        ILE   5  -6.434  -3.477  -2.542
   27    HA   ILE   5           HA       ILE   5  -7.858  -1.156  -1.716
   28    HB   ILE   5           HB       ILE   5  -7.024  -3.601  -0.108
   29   1HG1  ILE   5          1HG1      ILE   5  -9.488  -2.949  -1.697
   30   2HG1  ILE   5          2HG1      ILE   5  -8.341  -4.179  -2.049
   31   1HG2  ILE   5          1HG2      ILE   5  -9.031  -1.475   0.575
   32   2HG2  ILE   5          2HG2      ILE   5  -8.848  -3.036   1.424
   33   3HG2  ILE   5          3HG2      ILE   5  -7.513  -1.909   1.423
   34   1HD1  ILE   5          1HD1      ILE   5  -9.009  -5.208   0.241
   35   2HD1  ILE   5          2HD1      ILE   5 -10.388  -4.085   0.177
   36   3HD1  ILE   5          3HD1      ILE   5 -10.183  -5.297  -1.097
   37    H    ALA   6           H        ALA   6  -4.927  -2.589  -0.123
   38    HA   ALA   6           HA       ALA   6  -4.510  -0.470   1.718
   39   1HB   ALA   6          1HB       ALA   6  -2.200  -1.445   1.876
   40   2HB   ALA   6          2HB       ALA   6  -3.418  -2.737   1.842
   41   3HB   ALA   6          3HB       ALA   6  -2.489  -2.363   0.387
   42    H    ILE   7           H        ILE   7  -3.569  -0.793  -1.649
   43    HA   ILE   7           HA       ILE   7  -1.759   1.439  -1.760
   44    HB   ILE   7           HB       ILE   7  -3.129  -0.318  -3.787
   45   1HG1  ILE   7          1HG1      ILE   7  -0.180  -0.141  -2.973
   46   2HG1  ILE   7          2HG1      ILE   7  -1.285  -1.228  -2.165
   47   1HG2  ILE   7          1HG2      ILE   7  -2.488   1.949  -4.792
   48   2HG2  ILE   7          2HG2      ILE   7  -0.804   1.485  -4.442
   49   3HG2  ILE   7          3HG2      ILE   7  -1.792   0.526  -5.548
   50   1HD1  ILE   7          1HD1      ILE   7  -1.848  -2.255  -4.405
   51   2HD1  ILE   7          2HD1      ILE   7  -0.548  -1.299  -5.104
   52   3HD1  ILE   7          3HD1      ILE   7  -0.177  -2.498  -3.849
   53    H    ALA   8           H        ALA   8  -5.210   0.940  -2.510
   54    HA   ALA   8           HA       ALA   8  -5.709   3.622  -3.417
   55   1HB   ALA   8          1HB       ALA   8  -7.146   1.733  -3.904
   56   2HB   ALA   8          2HB       ALA   8  -7.529   1.487  -2.188
   57   3HB   ALA   8          3HB       ALA   8  -8.073   2.957  -3.015
   58    H    GLN   9           H        GLN   9  -5.752   1.981  -0.330
   59    HA   GLN   9           HA       GLN   9  -6.817   4.229   1.223
   60   1HB   GLN   9          1HB       GLN   9  -5.826   1.421   1.877
   61   2HB   GLN   9          2HB       GLN   9  -6.329   2.538   3.119
   62   1HG   GLN   9          1HG       GLN   9  -8.532   2.806   1.644
   63   2HG   GLN   9          2HG       GLN   9  -8.006   1.339   0.861
   64   2HE2  GLN   9          2HE2      GLN   9  -7.347  -0.434   2.651
   65   1HE2  GLN   9          1HE2      GLN   9  -8.570  -0.646   3.889
   66    H    CYS  10           H        CYS  10  -3.750   3.071   0.212
   67    HA   CYS  10           HA       CYS  10  -1.650   3.516   0.580
   68   1HB   CYS  10          1HB       CYS  10  -0.982   5.920   1.041
   69   2HB   CYS  10          2HB       CYS  10  -1.678   5.408  -0.489
   70    H    SER  11           H        SER  11  -1.662   2.129   2.241
   71    HA   SER  11           HA       SER  11  -0.819   3.215   4.867
   72   1HB   SER  11          1HB       SER  11  -3.165   2.599   5.109
   73   2HB   SER  11          2HB       SER  11  -2.868   1.008   4.405
   74    HG   SER  11           HG       SER  11  -2.834   1.343   6.868
   75    H    LEU  12           H        LEU  12   1.226   2.466   5.067
   76    HA   LEU  12           HA       LEU  12   2.197   0.046   3.744
   77   1HB   LEU  12          1HB       LEU  12   3.349   1.704   6.005
   78   2HB   LEU  12          2HB       LEU  12   4.164   0.366   5.186
   79    HG   LEU  12           HG       LEU  12   3.298   3.015   3.927
   80   1HD1  LEU  12          1HD1      LEU  12   6.005   1.774   4.555
   81   2HD1  LEU  12          2HD1      LEU  12   5.768   3.285   3.649
   82   3HD1  LEU  12          3HD1      LEU  12   5.268   3.183   5.357
   83   1HD2  LEU  12          1HD2      LEU  12   3.185   1.153   2.244
   84   2HD2  LEU  12          2HD2      LEU  12   4.446   2.331   1.908
   85   3HD2  LEU  12          3HD2      LEU  12   4.878   0.772   2.625
   86    H    THR  13           H        THR  13   0.570   0.748   6.817
   87    HA   THR  13           HA       THR  13   1.396  -1.767   7.968
   88    HB   THR  13           HB       THR  13  -1.032  -0.067   8.659
   89    HG1  THR  13           HG1      THR  13   1.498  -0.057   9.927
   90   1HG2  THR  13          1HG2      THR  13   0.599  -2.065  10.312
   91   2HG2  THR  13          2HG2      THR  13  -0.766  -1.091  10.905
   92   3HG2  THR  13          3HG2      THR  13  -1.028  -2.342   9.682
   93    H    LEU  14           H        LEU  14  -1.569  -0.718   6.204
   94    HA   LEU  14           HA       LEU  14  -2.843  -3.226   6.506
   95   1HB   LEU  14          1HB       LEU  14  -3.591  -0.785   5.702
   96   2HB   LEU  14          2HB       LEU  14  -3.410  -1.496   4.101
   97    HG   LEU  14           HG       LEU  14  -5.095  -2.492   6.464
   98   1HD1  LEU  14          1HD1      LEU  14  -5.820  -0.937   3.951
   99   2HD1  LEU  14          2HD1      LEU  14  -6.992  -1.534   5.160
  100   3HD1  LEU  14          3HD1      LEU  14  -5.826  -0.273   5.595
  101   1HD2  LEU  14          1HD2      LEU  14  -4.937  -3.329   3.570
  102   2HD2  LEU  14          2HD2      LEU  14  -4.645  -4.319   5.034
  103   3HD2  LEU  14          3HD2      LEU  14  -6.284  -3.751   4.670
  104    H    CYS  15           H        CYS  15  -0.260  -2.164   4.383
  105    HA   CYS  15           HA       CYS  15  -0.616  -4.056   2.309
  106   1HB   CYS  15          1HB       CYS  15   1.813  -2.660   3.453
  107   2HB   CYS  15          2HB       CYS  15   2.007  -3.943   2.287
  108    H    GLN  16           H        GLN  16   0.418  -4.586   5.656
  109    HA   GLN  16           HA       GLN  16   1.586  -7.192   5.107
  110   1HB   GLN  16          1HB       GLN  16   0.577  -5.832   7.604
  111   2HB   GLN  16          2HB       GLN  16   1.257  -7.455   7.625
  112   1HG   GLN  16          1HG       GLN  16   3.399  -6.796   6.978
  113   2HG   GLN  16          2HG       GLN  16   2.848  -5.287   6.236
  114   2HE2  GLN  16          2HE2      GLN  16   1.576  -3.859   7.845
  115   1HE2  GLN  16          1HE2      GLN  16   2.463  -3.519   9.336
  116    H    ASP  17           H        ASP  17  -1.699  -6.226   4.870
  117    HA   ASP  17           HA       ASP  17  -2.755  -8.934   5.405
  118   1HB   ASP  17          1HB       ASP  17  -3.792  -6.545   3.797
  119   2HB   ASP  17          2HB       ASP  17  -4.492  -8.139   3.723
  120    H    CYS  18           H        CYS  18  -1.378  -6.989   2.718
  121    HA   CYS  18           HA       CYS  18  -2.298  -8.875   0.737
  122   1HB   CYS  18          1HB       CYS  18  -1.988  -6.460   0.149
  123   2HB   CYS  18          2HB       CYS  18  -0.251  -6.643   0.412
  124    H    GLU  19           H        GLU  19  -1.161 -10.653   0.061
  125    HA   GLU  19           HA       GLU  19   0.861 -11.839   1.419
  126   1HB   GLU  19          1HB       GLU  19  -0.267 -13.248   0.053
  127   2HB   GLU  19          2HB       GLU  19  -0.305 -12.112  -1.296
  128   1HG   GLU  19          1HG       GLU  19   0.964 -14.130  -1.809
  129   2HG   GLU  19          2HG       GLU  19   1.927 -12.667  -1.969
  130    H    ASN  20           H        ASN  20   1.415 -10.007  -1.656
  131    HA   ASN  20           HA       ASN  20   4.313 -10.091  -1.187
  132   1HB   ASN  20          1HB       ASN  20   4.376  -8.865  -3.327
  133   2HB   ASN  20          2HB       ASN  20   3.768 -10.502  -3.384
  134   2HD2  ASN  20          2HD2      ASN  20   2.658  -7.077  -3.281
  135   1HD2  ASN  20          1HD2      ASN  20   1.344  -7.334  -4.427
  136    H    THR  21           H        THR  21   3.783  -9.019   0.924
  137    HA   THR  21           HA       THR  21   2.977  -6.479   1.292
  138    HB   THR  21           HB       THR  21   5.236  -7.717   2.786
  139    HG1  THR  21           HG1      THR  21   2.489  -8.327   2.608
  140   1HG2  THR  21          1HG2      THR  21   4.679  -5.405   3.537
  141   2HG2  THR  21          2HG2      THR  21   2.993  -5.878   3.712
  142   3HG2  THR  21          3HG2      THR  21   4.227  -6.619   4.740
  143    HA   PRO  22           HA       PRO  22   7.125  -4.315   0.645
  144   1HB   PRO  22          1HB       PRO  22   9.166  -5.378  -0.855
  145   2HB   PRO  22          2HB       PRO  22   8.969  -5.710   0.887
  146   1HG   PRO  22          1HG       PRO  22   8.054  -7.431  -1.427
  147   2HG   PRO  22          2HG       PRO  22   8.989  -7.935   0.010
  148   1HD   PRO  22          1HD       PRO  22   6.315  -8.288  -0.099
  149   2HD   PRO  22          2HD       PRO  22   7.096  -7.758   1.416
  150    H    ILE  23           H        ILE  23   6.115  -6.338  -2.183
  151    HA   ILE  23           HA       ILE  23   6.348  -4.253  -4.119
  152    HB   ILE  23           HB       ILE  23   4.663  -6.672  -3.785
  153   1HG1  ILE  23          1HG1      ILE  23   7.058  -6.655  -4.636
  154   2HG1  ILE  23          2HG1      ILE  23   5.833  -7.483  -5.575
  155   1HG2  ILE  23          1HG2      ILE  23   4.151  -4.592  -5.938
  156   2HG2  ILE  23          2HG2      ILE  23   3.640  -6.299  -6.015
  157   3HG2  ILE  23          3HG2      ILE  23   3.008  -5.241  -4.751
  158   1HD1  ILE  23          1HD1      ILE  23   6.779  -4.695  -6.282
  159   2HD1  ILE  23          2HD1      ILE  23   7.403  -6.208  -6.979
  160   3HD1  ILE  23          3HD1      ILE  23   5.713  -5.759  -7.231
  161    H    CYS  24           H        CYS  24   3.768  -5.170  -1.825
  162    HA   CYS  24           HA       CYS  24   1.864  -3.218  -2.602
  163   1HB   CYS  24          1HB       CYS  24   1.429  -5.161  -1.112
  164   2HB   CYS  24          2HB       CYS  24   2.289  -4.378   0.171
  165    H    GLU  25           H        GLU  25   4.395  -3.124  -0.083
  166    HA   GLU  25           HA       GLU  25   4.067  -0.549   0.923
  167   1HB   GLU  25          1HB       GLU  25   6.404  -2.398   0.460
  168   2HB   GLU  25          2HB       GLU  25   6.749  -0.872   1.097
  169   1HG   GLU  25          1HG       GLU  25   5.179  -1.388   3.054
  170   2HG   GLU  25          2HG       GLU  25   5.020  -3.014   2.384
  171    H    LEU  26           H        LEU  26   6.108  -1.673  -1.799
  172    HA   LEU  26           HA       LEU  26   7.109   0.823  -2.578
  173   1HB   LEU  26          1HB       LEU  26   7.870  -1.499  -3.239
  174   2HB   LEU  26          2HB       LEU  26   6.520  -1.610  -4.342
  175    HG   LEU  26           HG       LEU  26   8.143   0.849  -4.731
  176   1HD1  LEU  26          1HD1      LEU  26   9.368  -1.909  -5.193
  177   2HD1  LEU  26          2HD1      LEU  26  10.019  -0.385  -5.826
  178   3HD1  LEU  26          3HD1      LEU  26   9.961  -0.660  -4.077
  179   1HD2  LEU  26          1HD2      LEU  26   6.324  -0.038  -6.262
  180   2HD2  LEU  26          2HD2      LEU  26   7.887   0.206  -7.074
  181   3HD2  LEU  26          3HD2      LEU  26   7.360  -1.426  -6.612
  182    H    ALA  27           H        ALA  27   4.115  -0.822  -3.575
  183    HA   ALA  27           HA       ALA  27   3.347   1.183  -5.488
  184   1HB   ALA  27          1HB       ALA  27   1.719  -0.943  -4.081
  185   2HB   ALA  27          2HB       ALA  27   1.208   0.028  -5.493
  186   3HB   ALA  27          3HB       ALA  27   2.562  -1.111  -5.631
  187    H    VAL  28           H        VAL  28   2.493   0.676  -2.030
  188    HA   VAL  28           HA       VAL  28   0.698   2.867  -1.751
  189    HB   VAL  28           HB       VAL  28   2.522   1.428   0.113
  190   1HG1  VAL  28          1HG1      VAL  28   0.736   3.807   0.760
  191   2HG1  VAL  28          2HG1      VAL  28   1.309   2.666   1.989
  192   3HG1  VAL  28          3HG1      VAL  28   2.478   3.630   1.090
  193   1HG2  VAL  28          1HG2      VAL  28   0.439   0.284  -0.630
  194   2HG2  VAL  28          2HG2      VAL  28   0.418   0.654   1.107
  195   3HG2  VAL  28          3HG2      VAL  28  -0.495   1.660  -0.007
  196    H    LYS  29           H        LYS  29   4.290   2.671  -1.382
  197    HA   LYS  29           HA       LYS  29   4.726   5.417  -0.940
  198   1HB   LYS  29          1HB       LYS  29   6.411   3.210  -2.186
  199   2HB   LYS  29          2HB       LYS  29   6.956   4.852  -1.865
  200   1HG   LYS  29          1HG       LYS  29   6.529   4.547   0.548
  201   2HG   LYS  29          2HG       LYS  29   5.856   2.973   0.262
  202   1HD   LYS  29          1HD       LYS  29   8.206   2.956   1.148
  203   2HD   LYS  29          2HD       LYS  29   7.932   1.994  -0.297
  204   1HE   LYS  29          1HE       LYS  29  10.078   3.335  -0.285
  205   2HE   LYS  29          2HE       LYS  29   9.077   3.507  -1.714
  206   1HZ   LYS  29          1HZ       LYS  29   8.574   5.500   0.308
  207   2HZ   LYS  29          2HZ       LYS  29  10.064   5.571  -0.336
  208   3HZ   LYS  29          3HZ       LYS  29   8.803   5.622  -1.348
  209    H    GLY  30           H        GLY  30   4.228   3.553  -3.913
  210   1HA   GLY  30          1HA       GLY  30   3.702   4.213  -6.017
  211   2HA   GLY  30          2HA       GLY  30   4.757   5.620  -5.807
  212    H    SER  31           H        SER  31   1.900   4.749  -3.912
  213    HA   SER  31           HA       SER  31   0.050   6.052  -5.619
  214   1HB   SER  31          1HB       SER  31  -0.095   4.778  -2.860
  215   2HB   SER  31          2HB       SER  31  -1.492   5.471  -3.640
  216    HG   SER  31           HG       SER  31   0.265   3.485  -4.733
  217    H    CYS  32           H        CYS  32   1.266   6.937  -2.380
  218    HA   CYS  32           HA       CYS  32  -0.310   9.498  -2.549
  219   1HB   CYS  32          1HB       CYS  32  -0.112   7.455  -0.348
  220   2HB   CYS  32          2HB       CYS  32  -0.546   9.112   0.029
  221    HA   PRO  33           HA       PRO  33   3.572  11.267  -1.533
  222   1HB   PRO  33          1HB       PRO  33   2.930  13.372   0.143
  223   2HB   PRO  33          2HB       PRO  33   2.629  13.381  -1.621
  224   1HG   PRO  33          1HG       PRO  33   0.659  12.667   0.571
  225   2HG   PRO  33          2HG       PRO  33   0.396  13.773  -0.810
  226   1HD   PRO  33          1HD       PRO  33  -0.462  11.228  -0.901
  227   2HD   PRO  33          2HD       PRO  33   0.278  11.961  -2.349
  228    HA   PRO  34           HA       PRO  34   4.460   9.298   2.444
  229   1HB   PRO  34          1HB       PRO  34   6.946  10.360   3.023
  230   2HB   PRO  34          2HB       PRO  34   6.710   9.217   1.709
  231   1HG   PRO  34          1HG       PRO  34   6.812  12.198   1.437
  232   2HG   PRO  34          2HG       PRO  34   7.702  10.968   0.494
  233   1HD   PRO  34          1HD       PRO  34   5.400  12.073  -0.414
  234   2HD   PRO  34          2HD       PRO  34   5.756  10.344  -0.700
  235    HA   PRO  35           HA       PRO  35   4.816   9.004   4.597
  236   1HB   PRO  35          1HB       PRO  35   3.645   8.974   7.055
  237   2HB   PRO  35          2HB       PRO  35   5.181   9.843   6.764
  238   1HG   PRO  35          1HG       PRO  35   2.358  10.948   6.758
  239   2HG   PRO  35          2HG       PRO  35   3.758  11.572   7.677
  240   1HD   PRO  35          1HD       PRO  35   2.998  12.606   5.232
  241   2HD   PRO  35          2HD       PRO  35   4.712  12.510   5.693
  242    H    TRP  36           H        TRP  36   3.313   7.211   5.368
  243    HA   TRP  36           HA       TRP  36   0.612   7.403   4.082
  244   1HB   TRP  36          1HB       TRP  36   2.366   4.978   4.539
  245   2HB   TRP  36          2HB       TRP  36   0.895   5.052   3.567
  246    HD1  TRP  36           HD1      TRP  36   1.058   6.306   1.242
  247    HE1  TRP  36           HE1      TRP  36   2.967   7.184  -0.242
  248    HE3  TRP  36           HE3      TRP  36   4.919   5.568   4.480
  249    HZ2  TRP  36           HZ2      TRP  36   5.858   7.451  -0.028
  250    HZ3  TRP  36           HZ3      TRP  36   7.253   6.009   3.787
  251    HH2  TRP  36           HH2      TRP  36   7.733   7.006   1.569
  252    H    SER  37           H        SER  37  -1.023   5.943   5.064
  253    HA   SER  37           HA       SER  37  -2.440   5.829   6.815
  254   1HB   SER  37          1HB       SER  37  -1.657   4.345   8.716
  255   2HB   SER  37          2HB       SER  37  -1.681   3.666   7.103
  256    HG   SER  37           HG       SER  37   0.289   3.595   8.712

  No H/Q in entry =         256
  Start of MODEL   16
    1    H1   ASP   1           H1       ASP   1  -7.007  -5.724  -5.208
    2    H2   ASP   1           H2       ASP   1  -8.081  -6.665  -6.043
    3    H3   ASP   1           H3       ASP   1  -8.627  -5.503  -4.990
    4    HA   ASP   1           HA       ASP   1  -8.713  -7.641  -3.869
    5   1HB   ASP   1          1HB       ASP   1  -6.754  -9.031  -3.728
    6   2HB   ASP   1          2HB       ASP   1  -6.833  -8.580  -5.425
    7    H    ILE   2           H        ILE   2  -7.008  -8.033  -1.689
    8    HA   ILE   2           HA       ILE   2  -7.311  -5.573  -0.314
    9    HB   ILE   2           HB       ILE   2  -7.330  -7.896   0.563
   10   1HG1  ILE   2          1HG1      ILE   2  -6.323  -7.468   2.768
   11   2HG1  ILE   2          2HG1      ILE   2  -5.614  -5.958   2.169
   12   1HG2  ILE   2          1HG2      ILE   2  -5.094  -8.624  -0.418
   13   2HG2  ILE   2          2HG2      ILE   2  -4.312  -7.615   0.815
   14   3HG2  ILE   2          3HG2      ILE   2  -5.288  -8.997   1.304
   15   1HD1  ILE   2          1HD1      ILE   2  -8.593  -6.627   2.233
   16   2HD1  ILE   2          2HD1      ILE   2  -7.730  -5.779   3.530
   17   3HD1  ILE   2          3HD1      ILE   2  -7.854  -5.029   1.939
   18    H    CYS   3           H        CYS   3  -4.498  -6.821  -2.158
   19    HA   CYS   3           HA       CYS   3  -2.606  -4.834  -1.195
   20   1HB   CYS   3          1HB       CYS   3  -2.815  -6.555  -3.646
   21   2HB   CYS   3          2HB       CYS   3  -2.166  -4.963  -3.920
   22    H    ASP   4           H        ASP   4  -5.085  -4.846  -3.767
   23    HA   ASP   4           HA       ASP   4  -4.631  -2.164  -4.641
   24   1HB   ASP   4          1HB       ASP   4  -5.996  -4.040  -5.775
   25   2HB   ASP   4          2HB       ASP   4  -7.340  -3.507  -4.734
   26    H    ILE   5           H        ILE   5  -6.671  -3.542  -2.087
   27    HA   ILE   5           HA       ILE   5  -7.959  -1.125  -1.258
   28    HB   ILE   5           HB       ILE   5  -7.166  -3.567   0.374
   29   1HG1  ILE   5          1HG1      ILE   5  -9.689  -2.716  -1.056
   30   2HG1  ILE   5          2HG1      ILE   5  -8.721  -4.047  -1.557
   31   1HG2  ILE   5          1HG2      ILE   5  -7.519  -1.648   1.824
   32   2HG2  ILE   5          2HG2      ILE   5  -9.091  -1.353   1.045
   33   3HG2  ILE   5          3HG2      ILE   5  -8.801  -2.821   2.019
   34   1HD1  ILE   5          1HD1      ILE   5 -10.306  -3.940   1.006
   35   2HD1  ILE   5          2HD1      ILE   5 -10.829  -4.678  -0.509
   36   3HD1  ILE   5          3HD1      ILE   5  -9.450  -5.362   0.358
   37    H    ALA   6           H        ALA   6  -4.940  -2.653   0.035
   38    HA   ALA   6           HA       ALA   6  -4.267  -0.508   1.778
   39   1HB   ALA   6          1HB       ALA   6  -1.989  -1.476   1.702
   40   2HB   ALA   6          2HB       ALA   6  -3.169  -2.795   1.764
   41   3HB   ALA   6          3HB       ALA   6  -2.392  -2.382   0.234
   42    H    ILE   7           H        ILE   7  -3.634  -0.915  -1.696
   43    HA   ILE   7           HA       ILE   7  -1.956   1.412  -1.879
   44    HB   ILE   7           HB       ILE   7  -3.346  -0.288  -3.945
   45   1HG1  ILE   7          1HG1      ILE   7  -0.389  -0.041  -3.264
   46   2HG1  ILE   7          2HG1      ILE   7  -1.409  -1.170  -2.392
   47   1HG2  ILE   7          1HG2      ILE   7  -1.340   1.981  -4.323
   48   2HG2  ILE   7          2HG2      ILE   7  -1.769   0.808  -5.583
   49   3HG2  ILE   7          3HG2      ILE   7  -3.002   1.893  -4.960
   50   1HD1  ILE   7          1HD1      ILE   7  -2.069  -2.274  -4.500
   51   2HD1  ILE   7          2HD1      ILE   7  -0.927  -1.243  -5.382
   52   3HD1  ILE   7          3HD1      ILE   7  -0.333  -2.370  -4.144
   53    H    ALA   8           H        ALA   8  -5.420   0.878  -2.475
   54    HA   ALA   8           HA       ALA   8  -6.027   3.537  -3.340
   55   1HB   ALA   8          1HB       ALA   8  -7.581   1.683  -3.660
   56   2HB   ALA   8          2HB       ALA   8  -7.725   1.443  -1.900
   57   3HB   ALA   8          3HB       ALA   8  -8.353   2.919  -2.651
   58    H    GLN   9           H        GLN   9  -5.849   1.949  -0.200
   59    HA   GLN   9           HA       GLN   9  -6.722   4.253   1.371
   60   1HB   GLN   9          1HB       GLN   9  -5.573   1.495   1.960
   61   2HB   GLN   9          2HB       GLN   9  -5.706   2.680   3.214
   62   1HG   GLN   9          1HG       GLN   9  -8.217   2.940   2.440
   63   2HG   GLN   9          2HG       GLN   9  -7.944   1.434   1.560
   64   2HE2  GLN   9          2HE2      GLN   9  -9.145  -0.068   2.855
   65   1HE2  GLN   9          1HE2      GLN   9  -8.825  -0.281   4.572
   66    H    CYS  10           H        CYS  10  -3.753   3.003   0.099
   67    HA   CYS  10           HA       CYS  10  -1.610   3.342   0.366
   68   1HB   CYS  10          1HB       CYS  10  -0.753   5.700   0.766
   69   2HB   CYS  10          2HB       CYS  10  -1.525   5.249  -0.750
   70    H    SER  11           H        SER  11  -1.830   1.996   2.142
   71    HA   SER  11           HA       SER  11  -0.972   3.203   4.715
   72   1HB   SER  11          1HB       SER  11  -3.401   2.731   4.897
   73   2HB   SER  11          2HB       SER  11  -3.116   1.059   4.388
   74    HG   SER  11           HG       SER  11  -2.156   2.391   6.707
   75    H    LEU  12           H        LEU  12   0.973   2.309   5.135
   76    HA   LEU  12           HA       LEU  12   1.922  -0.039   3.695
   77   1HB   LEU  12          1HB       LEU  12   3.147   1.586   5.931
   78   2HB   LEU  12          2HB       LEU  12   3.955   0.305   5.021
   79    HG   LEU  12           HG       LEU  12   2.863   2.911   3.882
   80   1HD1  LEU  12          1HD1      LEU  12   5.671   1.872   4.421
   81   2HD1  LEU  12          2HD1      LEU  12   5.315   3.359   3.524
   82   3HD1  LEU  12          3HD1      LEU  12   4.885   3.230   5.247
   83   1HD2  LEU  12          1HD2      LEU  12   2.854   1.073   2.160
   84   2HD2  LEU  12          2HD2      LEU  12   3.947   2.404   1.829
   85   3HD2  LEU  12          3HD2      LEU  12   4.602   0.897   2.448
   86    H    THR  13           H        THR  13   0.772   0.605   7.048
   87    HA   THR  13           HA       THR  13   1.279  -2.021   7.976
   88    HB   THR  13           HB       THR  13  -0.978  -0.068   8.635
   89    HG1  THR  13           HG1      THR  13   1.603  -0.565   9.720
   90   1HG2  THR  13          1HG2      THR  13   0.116  -2.388  10.270
   91   2HG2  THR  13          2HG2      THR  13  -1.017  -1.159  10.866
   92   3HG2  THR  13          3HG2      THR  13  -1.513  -2.278   9.592
   93    H    LEU  14           H        LEU  14  -1.561  -0.820   6.115
   94    HA   LEU  14           HA       LEU  14  -2.955  -3.287   6.326
   95   1HB   LEU  14          1HB       LEU  14  -3.644  -0.866   5.548
   96   2HB   LEU  14          2HB       LEU  14  -3.289  -1.475   3.935
   97    HG   LEU  14           HG       LEU  14  -5.264  -2.445   6.065
   98   1HD1  LEU  14          1HD1      LEU  14  -5.683  -1.047   3.396
   99   2HD1  LEU  14          2HD1      LEU  14  -6.959  -1.652   4.457
  100   3HD1  LEU  14          3HD1      LEU  14  -5.889  -0.349   5.016
  101   1HD2  LEU  14          1HD2      LEU  14  -4.633  -3.509   3.305
  102   2HD2  LEU  14          2HD2      LEU  14  -4.658  -4.380   4.868
  103   3HD2  LEU  14          3HD2      LEU  14  -6.177  -3.831   4.126
  104    H    CYS  15           H        CYS  15  -0.225  -2.303   4.317
  105    HA   CYS  15           HA       CYS  15  -0.640  -4.143   2.193
  106   1HB   CYS  15          1HB       CYS  15   1.886  -2.881   3.299
  107   2HB   CYS  15          2HB       CYS  15   1.956  -4.131   2.090
  108    H    GLN  16           H        GLN  16   0.398  -4.750   5.523
  109    HA   GLN  16           HA       GLN  16   1.605  -7.306   4.989
  110   1HB   GLN  16          1HB       GLN  16   0.164  -6.322   7.469
  111   2HB   GLN  16          2HB       GLN  16   1.152  -7.791   7.345
  112   1HG   GLN  16          1HG       GLN  16   3.111  -6.399   6.669
  113   2HG   GLN  16          2HG       GLN  16   2.151  -4.936   6.941
  114   2HE2  GLN  16          2HE2      GLN  16   4.120  -4.593   8.408
  115   1HE2  GLN  16          1HE2      GLN  16   4.008  -5.237  10.050
  116    H    ASP  17           H        ASP  17  -1.780  -6.351   4.820
  117    HA   ASP  17           HA       ASP  17  -2.828  -9.024   5.308
  118   1HB   ASP  17          1HB       ASP  17  -4.013  -6.602   3.871
  119   2HB   ASP  17          2HB       ASP  17  -4.820  -8.147   4.128
  120    H    CYS  18           H        CYS  18  -1.313  -7.383   2.595
  121    HA   CYS  18           HA       CYS  18  -2.424  -9.241   0.584
  122   1HB   CYS  18          1HB       CYS  18  -2.081  -6.859   0.050
  123   2HB   CYS  18          2HB       CYS  18  -0.348  -7.027   0.373
  124    H    GLU  19           H        GLU  19  -1.061 -10.638  -0.666
  125    HA   GLU  19           HA       GLU  19   0.795 -12.327   0.317
  126   1HB   GLU  19          1HB       GLU  19  -0.177 -12.355  -1.923
  127   2HB   GLU  19          2HB       GLU  19   0.913 -11.063  -2.389
  128   1HG   GLU  19          1HG       GLU  19   1.871 -13.774  -1.407
  129   2HG   GLU  19          2HG       GLU  19   1.526 -13.408  -3.105
  130    H    ASN  20           H        ASN  20   1.706  -9.309  -1.321
  131    HA   ASN  20           HA       ASN  20   4.507  -9.674  -0.420
  132   1HB   ASN  20          1HB       ASN  20   4.897  -8.117  -2.402
  133   2HB   ASN  20          2HB       ASN  20   4.520  -9.790  -2.686
  134   2HD2  ASN  20          2HD2      ASN  20   2.830 -10.323  -3.986
  135   1HD2  ASN  20          1HD2      ASN  20   1.699  -9.144  -4.669
  136    H    THR  21           H        THR  21   4.311  -8.620   1.616
  137    HA   THR  21           HA       THR  21   3.573  -6.091   2.157
  138    HB   THR  21           HB       THR  21   6.292  -6.726   3.148
  139    HG1  THR  21           HG1      THR  21   4.345  -8.383   4.160
  140   1HG2  THR  21          1HG2      THR  21   3.624  -6.204   4.475
  141   2HG2  THR  21          2HG2      THR  21   5.196  -6.360   5.303
  142   3HG2  THR  21          3HG2      THR  21   4.910  -5.021   4.177
  143    HA   PRO  22           HA       PRO  22   7.312  -3.912   0.546
  144   1HB   PRO  22          1HB       PRO  22   9.295  -4.991  -0.994
  145   2HB   PRO  22          2HB       PRO  22   9.239  -5.220   0.781
  146   1HG   PRO  22          1HG       PRO  22   8.227  -7.119  -1.356
  147   2HG   PRO  22          2HG       PRO  22   9.307  -7.496   0.022
  148   1HD   PRO  22          1HD       PRO  22   6.632  -7.943   0.148
  149   2HD   PRO  22          2HD       PRO  22   7.550  -7.344   1.555
  150    H    ILE  23           H        ILE  23   6.210  -6.200  -2.022
  151    HA   ILE  23           HA       ILE  23   6.583  -4.276  -4.121
  152    HB   ILE  23           HB       ILE  23   4.634  -6.510  -3.980
  153   1HG1  ILE  23          1HG1      ILE  23   7.496  -6.509  -4.130
  154   2HG1  ILE  23          2HG1      ILE  23   6.368  -7.848  -4.143
  155   1HG2  ILE  23          1HG2      ILE  23   3.983  -4.863  -5.678
  156   2HG2  ILE  23          2HG2      ILE  23   5.597  -4.947  -6.372
  157   3HG2  ILE  23          3HG2      ILE  23   4.518  -6.363  -6.422
  158   1HD1  ILE  23          1HD1      ILE  23   6.273  -7.742  -6.613
  159   2HD1  ILE  23          2HD1      ILE  23   7.377  -6.334  -6.584
  160   3HD1  ILE  23          3HD1      ILE  23   7.932  -7.913  -6.020
  161    H    CYS  24           H        CYS  24   3.966  -5.080  -1.832
  162    HA   CYS  24           HA       CYS  24   1.994  -3.245  -2.824
  163   1HB   CYS  24          1HB       CYS  24   1.454  -5.155  -1.439
  164   2HB   CYS  24          2HB       CYS  24   2.374  -4.514  -0.090
  165    H    GLU  25           H        GLU  25   4.449  -3.046  -0.178
  166    HA   GLU  25           HA       GLU  25   3.825  -0.431   0.669
  167   1HB   GLU  25          1HB       GLU  25   6.258  -2.196   0.732
  168   2HB   GLU  25          2HB       GLU  25   6.508  -0.569   1.138
  169   1HG   GLU  25          1HG       GLU  25   4.216  -1.345   2.686
  170   2HG   GLU  25          2HG       GLU  25   5.262  -2.748   2.681
  171    H    LEU  26           H        LEU  26   6.046  -1.618  -1.895
  172    HA   LEU  26           HA       LEU  26   6.983   0.870  -2.653
  173   1HB   LEU  26          1HB       LEU  26   7.840  -1.360  -3.362
  174   2HB   LEU  26          2HB       LEU  26   6.551  -1.453  -4.556
  175    HG   LEU  26           HG       LEU  26   8.918  -0.602  -5.144
  176   1HD1  LEU  26          1HD1      LEU  26   7.062  -0.618  -6.751
  177   2HD1  LEU  26          2HD1      LEU  26   6.519   0.964  -6.157
  178   3HD1  LEU  26          3HD1      LEU  26   8.079   0.813  -6.977
  179   1HD2  LEU  26          1HD2      LEU  26   9.075   1.153  -3.384
  180   2HD2  LEU  26          2HD2      LEU  26   9.399   1.737  -5.007
  181   3HD2  LEU  26          3HD2      LEU  26   7.854   2.105  -4.274
  182    H    ALA  27           H        ALA  27   4.059  -0.868  -3.780
  183    HA   ALA  27           HA       ALA  27   3.230   1.102  -5.684
  184   1HB   ALA  27          1HB       ALA  27   1.618  -0.887  -4.039
  185   2HB   ALA  27          2HB       ALA  27   0.974   0.091  -5.375
  186   3HB   ALA  27          3HB       ALA  27   2.237  -1.121  -5.677
  187    H    VAL  28           H        VAL  28   2.329   0.716  -2.240
  188    HA   VAL  28           HA       VAL  28   0.647   2.953  -2.014
  189    HB   VAL  28           HB       VAL  28   2.488   1.585  -0.105
  190   1HG1  VAL  28          1HG1      VAL  28   0.603   3.874   0.467
  191   2HG1  VAL  28          2HG1      VAL  28   1.114   2.742   1.739
  192   3HG1  VAL  28          3HG1      VAL  28   2.317   3.725   0.891
  193   1HG2  VAL  28          1HG2      VAL  28   0.531   0.265  -0.881
  194   2HG2  VAL  28          2HG2      VAL  28   0.462   0.624   0.858
  195   3HG2  VAL  28          3HG2      VAL  28  -0.527   1.548  -0.271
  196    H    LYS  29           H        LYS  29   4.205   2.743  -1.574
  197    HA   LYS  29           HA       LYS  29   4.579   5.440  -0.949
  198   1HB   LYS  29          1HB       LYS  29   6.409   3.306  -2.098
  199   2HB   LYS  29          2HB       LYS  29   6.971   4.857  -1.483
  200   1HG   LYS  29          1HG       LYS  29   6.288   4.336   0.781
  201   2HG   LYS  29          2HG       LYS  29   5.283   3.038   0.251
  202   1HD   LYS  29          1HD       LYS  29   7.088   1.907   1.145
  203   2HD   LYS  29          2HD       LYS  29   7.325   1.792  -0.580
  204   1HE   LYS  29          1HE       LYS  29   9.437   2.277   0.538
  205   2HE   LYS  29          2HE       LYS  29   8.976   3.588  -0.563
  206   1HZ   LYS  29          1HZ       LYS  29   8.501   3.627   2.361
  207   2HZ   LYS  29          2HZ       LYS  29   9.836   4.249   1.685
  208   3HZ   LYS  29          3HZ       LYS  29   8.372   4.904   1.323
  209    H    GLY  30           H        GLY  30   4.501   3.693  -3.995
  210   1HA   GLY  30          1HA       GLY  30   4.134   4.405  -6.112
  211   2HA   GLY  30          2HA       GLY  30   5.284   5.719  -5.788
  212    H    SER  31           H        SER  31   1.987   4.968  -4.358
  213    HA   SER  31           HA       SER  31   0.842   7.013  -6.055
  214   1HB   SER  31          1HB       SER  31  -1.234   6.396  -4.722
  215   2HB   SER  31          2HB       SER  31  -0.475   5.128  -5.710
  216    HG   SER  31           HG       SER  31  -1.058   4.569  -3.432
  217    H    CYS  32           H        CYS  32   1.289   6.733  -2.500
  218    HA   CYS  32           HA       CYS  32   0.302   9.567  -2.219
  219   1HB   CYS  32          1HB       CYS  32   0.271   7.170  -0.423
  220   2HB   CYS  32          2HB       CYS  32  -0.082   8.776   0.207
  221    HA   PRO  33           HA       PRO  33   4.296  10.665  -0.772
  222   1HB   PRO  33          1HB       PRO  33   3.853  12.840   0.839
  223   2HB   PRO  33          2HB       PRO  33   3.529  12.859  -0.920
  224   1HG   PRO  33          1HG       PRO  33   1.545  12.345   1.320
  225   2HG   PRO  33          2HG       PRO  33   1.385  13.499  -0.035
  226   1HD   PRO  33          1HD       PRO  33   0.269  11.016  -0.121
  227   2HD   PRO  33          2HD       PRO  33   0.983  11.760  -1.575
  228    HA   PRO  34           HA       PRO  34   4.988   8.885   3.318
  229   1HB   PRO  34          1HB       PRO  34   7.408   9.929   4.040
  230   2HB   PRO  34          2HB       PRO  34   7.301   8.863   2.663
  231   1HG   PRO  34          1HG       PRO  34   7.233  11.874   2.544
  232   2HG   PRO  34          2HG       PRO  34   8.295  10.760   1.631
  233   1HD   PRO  34          1HD       PRO  34   6.000  11.740   0.565
  234   2HD   PRO  34          2HD       PRO  34   6.491  10.054   0.244
  235    HA   PRO  35           HA       PRO  35   5.750   8.733   5.553
  236   1HB   PRO  35          1HB       PRO  35   4.477   8.970   8.048
  237   2HB   PRO  35          2HB       PRO  35   6.193   9.292   7.746
  238   1HG   PRO  35          1HG       PRO  35   4.053  11.177   8.388
  239   2HG   PRO  35          2HG       PRO  35   5.789  11.516   8.221
  240   1HD   PRO  35          1HD       PRO  35   3.602  11.977   6.299
  241   2HD   PRO  35          2HD       PRO  35   5.290  12.564   6.227
  242    H    TRP  36           H        TRP  36   4.366   6.844   5.571
  243    HA   TRP  36           HA       TRP  36   1.572   7.344   4.705
  244   1HB   TRP  36          1HB       TRP  36   3.254   4.860   4.852
  245   2HB   TRP  36          2HB       TRP  36   1.595   4.935   4.229
  246    HD1  TRP  36           HD1      TRP  36   1.197   6.063   1.897
  247    HE1  TRP  36           HE1      TRP  36   2.745   6.908  -0.005
  248    HE3  TRP  36           HE3      TRP  36   5.715   5.694   4.268
  249    HZ2  TRP  36           HZ2      TRP  36   5.533   7.507  -0.358
  250    HZ3  TRP  36           HZ3      TRP  36   7.792   6.340   3.104
  251    HH2  TRP  36           HH2      TRP  36   7.728   7.178   0.759
  252    H    SER  37           H        SER  37   1.475   8.309   6.988
  253    HA   SER  37           HA       SER  37   0.913   6.406   9.142
  254   1HB   SER  37          1HB       SER  37   0.130   9.315   9.081
  255   2HB   SER  37          2HB       SER  37   0.686   8.324  10.440
  256    HG   SER  37           HG       SER  37   2.101   9.886   8.780

  No H/Q in entry =         256
  Start of MODEL   17
    1    H1   ASP   1           H1       ASP   1  -8.684  -5.472  -4.586
    2    H2   ASP   1           H2       ASP   1  -7.550  -5.959  -5.641
    3    H3   ASP   1           H3       ASP   1  -9.014  -6.754  -5.546
    4    HA   ASP   1           HA       ASP   1  -8.603  -7.770  -3.592
    5   1HB   ASP   1          1HB       ASP   1  -6.426  -8.898  -3.754
    6   2HB   ASP   1          2HB       ASP   1  -7.200  -8.804  -5.340
    7    H    ILE   2           H        ILE   2  -7.043  -8.013  -1.630
    8    HA   ILE   2           HA       ILE   2  -7.287  -5.540  -0.395
    9    HB   ILE   2           HB       ILE   2  -7.317  -7.787   0.649
   10   1HG1  ILE   2          1HG1      ILE   2  -6.202  -7.304   2.807
   11   2HG1  ILE   2          2HG1      ILE   2  -5.485  -5.845   2.118
   12   1HG2  ILE   2          1HG2      ILE   2  -5.151  -8.659  -0.340
   13   2HG2  ILE   2          2HG2      ILE   2  -4.285  -7.603   0.802
   14   3HG2  ILE   2          3HG2      ILE   2  -5.293  -8.912   1.410
   15   1HD1  ILE   2          1HD1      ILE   2  -8.473  -6.440   2.336
   16   2HD1  ILE   2          2HD1      ILE   2  -7.526  -5.540   3.539
   17   3HD1  ILE   2          3HD1      ILE   2  -7.714  -4.877   1.907
   18    H    CYS   3           H        CYS   3  -4.534  -6.778  -2.140
   19    HA   CYS   3           HA       CYS   3  -2.486  -4.942  -1.145
   20   1HB   CYS   3          1HB       CYS   3  -2.839  -6.744  -3.512
   21   2HB   CYS   3          2HB       CYS   3  -2.146  -5.173  -3.922
   22    H    ASP   4           H        ASP   4  -4.894  -4.881  -3.755
   23    HA   ASP   4           HA       ASP   4  -4.286  -2.228  -4.653
   24   1HB   ASP   4          1HB       ASP   4  -5.426  -3.830  -6.071
   25   2HB   ASP   4          2HB       ASP   4  -6.771  -3.940  -4.945
   26    H    ILE   5           H        ILE   5  -6.611  -3.515  -2.311
   27    HA   ILE   5           HA       ILE   5  -7.860  -1.101  -1.563
   28    HB   ILE   5           HB       ILE   5  -7.196  -3.486   0.187
   29   1HG1  ILE   5          1HG1      ILE   5  -9.598  -2.734  -1.491
   30   2HG1  ILE   5          2HG1      ILE   5  -8.587  -4.079  -1.760
   31   1HG2  ILE   5          1HG2      ILE   5  -7.675  -1.583   1.571
   32   2HG2  ILE   5          2HG2      ILE   5  -9.192  -1.275   0.677
   33   3HG2  ILE   5          3HG2      ILE   5  -8.976  -2.745   1.668
   34   1HD1  ILE   5          1HD1      ILE   5  -9.436  -5.072   0.419
   35   2HD1  ILE   5          2HD1      ILE   5 -10.597  -3.714   0.465
   36   3HD1  ILE   5          3HD1      ILE   5 -10.623  -4.865  -0.879
   37    H    ALA   6           H        ALA   6  -4.905  -2.618  -0.163
   38    HA   ALA   6           HA       ALA   6  -4.331  -0.551   1.716
   39   1HB   ALA   6          1HB       ALA   6  -2.070  -1.557   1.748
   40   2HB   ALA   6          2HB       ALA   6  -3.289  -2.849   1.717
   41   3HB   ALA   6          3HB       ALA   6  -2.409  -2.428   0.245
   42    H    ILE   7           H        ILE   7  -3.491  -0.909  -1.721
   43    HA   ILE   7           HA       ILE   7  -1.762   1.373  -1.793
   44    HB   ILE   7           HB       ILE   7  -3.157  -0.195  -3.960
   45   1HG1  ILE   7          1HG1      ILE   7  -0.204  -0.117  -3.208
   46   2HG1  ILE   7          2HG1      ILE   7  -1.292  -1.200  -2.360
   47   1HG2  ILE   7          1HG2      ILE   7  -2.609   2.088  -4.791
   48   2HG2  ILE   7          2HG2      ILE   7  -0.941   1.887  -4.226
   49   3HG2  ILE   7          3HG2      ILE   7  -1.575   0.876  -5.535
   50   1HD1  ILE   7          1HD1      ILE   7  -1.973  -2.272  -4.463
   51   2HD1  ILE   7          2HD1      ILE   7  -0.824  -1.263  -5.356
   52   3HD1  ILE   7          3HD1      ILE   7  -0.241  -2.410  -4.126
   53    H    ALA   8           H        ALA   8  -5.232   0.947  -2.539
   54    HA   ALA   8           HA       ALA   8  -5.804   3.608  -3.375
   55   1HB   ALA   8          1HB       ALA   8  -7.378   1.714  -3.586
   56   2HB   ALA   8          2HB       ALA   8  -7.498   1.576  -1.822
   57   3HB   ALA   8          3HB       ALA   8  -8.102   3.031  -2.621
   58    H    GLN   9           H        GLN   9  -5.695   2.002  -0.244
   59    HA   GLN   9           HA       GLN   9  -6.583   4.282   1.341
   60   1HB   GLN   9          1HB       GLN   9  -5.439   1.525   1.867
   61   2HB   GLN   9          2HB       GLN   9  -5.714   2.633   3.198
   62   1HG   GLN   9          1HG       GLN   9  -8.081   2.867   2.630
   63   2HG   GLN   9          2HG       GLN   9  -7.866   1.946   1.138
   64   2HE2  GLN   9          2HE2      GLN   9  -6.035   0.507   3.645
   65   1HE2  GLN   9          1HE2      GLN   9  -7.184  -0.768   3.992
   66    H    CYS  10           H        CYS  10  -3.631   3.080   0.094
   67    HA   CYS  10           HA       CYS  10  -1.495   3.403   0.284
   68   1HB   CYS  10          1HB       CYS  10  -0.630   5.726   0.610
   69   2HB   CYS  10          2HB       CYS  10  -1.600   5.345  -0.774
   70    H    SER  11           H        SER  11  -1.930   2.033   2.073
   71    HA   SER  11           HA       SER  11  -1.019   3.093   4.727
   72   1HB   SER  11          1HB       SER  11  -3.389   2.454   4.917
   73   2HB   SER  11          2HB       SER  11  -3.039   0.888   4.162
   74    HG   SER  11           HG       SER  11  -2.257   1.851   6.706
   75    H    LEU  12           H        LEU  12   1.019   2.367   4.967
   76    HA   LEU  12           HA       LEU  12   2.101   0.016   3.607
   77   1HB   LEU  12          1HB       LEU  12   3.170   1.656   5.923
   78   2HB   LEU  12          2HB       LEU  12   4.049   0.409   5.017
   79    HG   LEU  12           HG       LEU  12   2.963   3.002   3.803
   80   1HD1  LEU  12          1HD1      LEU  12   5.753   2.096   4.561
   81   2HD1  LEU  12          2HD1      LEU  12   5.362   3.572   3.651
   82   3HD1  LEU  12          3HD1      LEU  12   4.803   3.393   5.337
   83   1HD2  LEU  12          1HD2      LEU  12   3.155   1.115   2.147
   84   2HD2  LEU  12          2HD2      LEU  12   4.325   2.399   1.858
   85   3HD2  LEU  12          3HD2      LEU  12   4.847   0.899   2.636
   86    H    THR  13           H        THR  13   0.544   0.742   6.690
   87    HA   THR  13           HA       THR  13   1.201  -1.798   7.862
   88    HB   THR  13           HB       THR  13  -1.215  -0.019   8.434
   89    HG1  THR  13           HG1      THR  13   1.512   0.217   9.227
   90   1HG2  THR  13          1HG2      THR  13   0.419  -1.847  10.255
   91   2HG2  THR  13          2HG2      THR  13  -0.951  -0.825  10.751
   92   3HG2  THR  13          3HG2      THR  13  -1.211  -2.177   9.639
   93    H    LEU  14           H        LEU  14  -1.837  -0.731   6.102
   94    HA   LEU  14           HA       LEU  14  -2.901  -3.291   6.404
   95   1HB   LEU  14          1HB       LEU  14  -3.916  -0.942   5.731
   96   2HB   LEU  14          2HB       LEU  14  -3.555  -1.459   4.087
   97    HG   LEU  14           HG       LEU  14  -5.833  -1.700   5.325
   98   1HD1  LEU  14          1HD1      LEU  14  -5.463  -2.101   2.907
   99   2HD1  LEU  14          2HD1      LEU  14  -4.847  -3.725   3.272
  100   3HD1  LEU  14          3HD1      LEU  14  -6.541  -3.308   3.602
  101   1HD2  LEU  14          1HD2      LEU  14  -5.022  -3.335   6.964
  102   2HD2  LEU  14          2HD2      LEU  14  -6.319  -3.983   5.931
  103   3HD2  LEU  14          3HD2      LEU  14  -4.644  -4.472   5.631
  104    H    CYS  15           H        CYS  15  -0.379  -2.184   4.236
  105    HA   CYS  15           HA       CYS  15  -0.772  -4.050   2.122
  106   1HB   CYS  15          1HB       CYS  15   1.714  -2.783   3.299
  107   2HB   CYS  15          2HB       CYS  15   1.844  -4.064   2.121
  108    H    GLN  16           H        GLN  16   0.312  -4.567   5.462
  109    HA   GLN  16           HA       GLN  16   1.545  -7.091   5.006
  110   1HB   GLN  16          1HB       GLN  16   0.147  -5.993   7.479
  111   2HB   GLN  16          2HB       GLN  16   1.148  -7.457   7.431
  112   1HG   GLN  16          1HG       GLN  16   3.072  -6.110   6.608
  113   2HG   GLN  16          2HG       GLN  16   2.099  -4.639   6.734
  114   2HE2  GLN  16          2HE2      GLN  16   3.274  -7.453   8.725
  115   1HE2  GLN  16          1HE2      GLN  16   3.455  -6.489  10.165
  116    H    ASP  17           H        ASP  17  -1.880  -6.334   4.780
  117    HA   ASP  17           HA       ASP  17  -2.686  -9.119   5.371
  118   1HB   ASP  17          1HB       ASP  17  -4.172  -6.740   4.155
  119   2HB   ASP  17          2HB       ASP  17  -4.769  -8.387   4.065
  120    H    CYS  18           H        CYS  18  -1.444  -7.299   2.619
  121    HA   CYS  18           HA       CYS  18  -2.415  -9.266   0.653
  122   1HB   CYS  18          1HB       CYS  18  -2.126  -6.903   0.027
  123   2HB   CYS  18          2HB       CYS  18  -0.397  -7.005   0.387
  124    H    GLU  19           H        GLU  19  -1.093 -10.768  -0.406
  125    HA   GLU  19           HA       GLU  19   0.828 -12.263   0.763
  126   1HB   GLU  19          1HB       GLU  19  -0.154 -12.812  -1.373
  127   2HB   GLU  19          2HB       GLU  19   0.666 -11.440  -2.099
  128   1HG   GLU  19          1HG       GLU  19   2.871 -12.469  -1.719
  129   2HG   GLU  19          2HG       GLU  19   2.134 -13.827  -0.871
  130    H    ASN  20           H        ASN  20   1.615  -9.572  -1.429
  131    HA   ASN  20           HA       ASN  20   4.449  -9.852  -0.671
  132   1HB   ASN  20          1HB       ASN  20   4.806  -8.725  -2.816
  133   2HB   ASN  20          2HB       ASN  20   4.054 -10.318  -2.876
  134   2HD2  ASN  20          2HD2      ASN  20   2.683  -6.923  -2.663
  135   1HD2  ASN  20          1HD2      ASN  20   1.660  -7.189  -4.075
  136    H    THR  21           H        THR  21   4.141  -8.724   1.293
  137    HA   THR  21           HA       THR  21   3.269  -6.159   1.690
  138    HB   THR  21           HB       THR  21   5.698  -7.206   3.054
  139    HG1  THR  21           HG1      THR  21   4.168  -8.831   2.986
  140   1HG2  THR  21          1HG2      THR  21   4.953  -4.909   3.695
  141   2HG2  THR  21          2HG2      THR  21   3.345  -5.568   4.075
  142   3HG2  THR  21          3HG2      THR  21   4.767  -6.085   5.002
  143    HA   PRO  22           HA       PRO  22   7.321  -4.063   0.556
  144   1HB   PRO  22          1HB       PRO  22   9.269  -5.269  -1.022
  145   2HB   PRO  22          2HB       PRO  22   9.221  -5.436   0.755
  146   1HG   PRO  22          1HG       PRO  22   8.116  -7.360  -1.301
  147   2HG   PRO  22          2HG       PRO  22   9.175  -7.731   0.078
  148   1HD   PRO  22          1HD       PRO  22   6.511  -8.081   0.240
  149   2HD   PRO  22          2HD       PRO  22   7.399  -7.402   1.629
  150    H    ILE  23           H        ILE  23   6.236  -6.254  -2.136
  151    HA   ILE  23           HA       ILE  23   6.517  -4.293  -4.187
  152    HB   ILE  23           HB       ILE  23   4.773  -6.667  -3.777
  153   1HG1  ILE  23          1HG1      ILE  23   6.058  -7.506  -5.690
  154   2HG1  ILE  23          2HG1      ILE  23   7.015  -6.027  -5.733
  155   1HG2  ILE  23          1HG2      ILE  23   4.774  -4.807  -6.182
  156   2HG2  ILE  23          2HG2      ILE  23   4.058  -6.435  -6.159
  157   3HG2  ILE  23          3HG2      ILE  23   3.398  -5.181  -5.115
  158   1HD1  ILE  23          1HD1      ILE  23   6.932  -7.933  -3.364
  159   2HD1  ILE  23          2HD1      ILE  23   8.106  -8.048  -4.685
  160   3HD1  ILE  23          3HD1      ILE  23   8.095  -6.610  -3.652
  161    H    CYS  24           H        CYS  24   3.947  -5.066  -1.848
  162    HA   CYS  24           HA       CYS  24   2.043  -3.158  -2.824
  163   1HB   CYS  24          1HB       CYS  24   1.413  -5.078  -1.525
  164   2HB   CYS  24          2HB       CYS  24   2.299  -4.517  -0.119
  165    H    GLU  25           H        GLU  25   4.549  -3.025  -0.279
  166    HA   GLU  25           HA       GLU  25   4.077  -0.484   0.799
  167   1HB   GLU  25          1HB       GLU  25   6.525  -2.176   0.278
  168   2HB   GLU  25          2HB       GLU  25   6.717  -0.653   1.007
  169   1HG   GLU  25          1HG       GLU  25   5.326  -1.312   2.935
  170   2HG   GLU  25          2HG       GLU  25   5.072  -2.896   2.233
  171    H    LEU  26           H        LEU  26   6.119  -1.550  -1.946
  172    HA   LEU  26           HA       LEU  26   7.068   0.996  -2.675
  173   1HB   LEU  26          1HB       LEU  26   7.766  -1.379  -3.434
  174   2HB   LEU  26          2HB       LEU  26   6.568  -1.207  -4.715
  175    HG   LEU  26           HG       LEU  26   8.729   0.899  -4.181
  176   1HD1  LEU  26          1HD1      LEU  26   9.828  -1.278  -4.472
  177   2HD1  LEU  26          2HD1      LEU  26   8.947  -1.509  -6.006
  178   3HD1  LEU  26          3HD1      LEU  26  10.125  -0.182  -5.824
  179   1HD2  LEU  26          1HD2      LEU  26   6.991   0.187  -6.593
  180   2HD2  LEU  26          2HD2      LEU  26   7.048   1.730  -5.705
  181   3HD2  LEU  26          3HD2      LEU  26   8.419   1.230  -6.698
  182    H    ALA  27           H        ALA  27   4.192  -0.824  -3.848
  183    HA   ALA  27           HA       ALA  27   3.252   1.190  -5.609
  184   1HB   ALA  27          1HB       ALA  27   1.733  -0.950  -4.090
  185   2HB   ALA  27          2HB       ALA  27   1.095   0.023  -5.439
  186   3HB   ALA  27          3HB       ALA  27   2.452  -1.090  -5.708
  187    H    VAL  28           H        VAL  28   2.590   0.740  -2.094
  188    HA   VAL  28           HA       VAL  28   0.695   2.840  -1.814
  189    HB   VAL  28           HB       VAL  28   2.613   1.527   0.047
  190   1HG1  VAL  28          1HG1      VAL  28   0.751   3.842   0.668
  191   2HG1  VAL  28          2HG1      VAL  28   1.320   2.726   1.917
  192   3HG1  VAL  28          3HG1      VAL  28   2.476   3.719   1.031
  193   1HG2  VAL  28          1HG2      VAL  28   0.597   0.256  -0.673
  194   2HG2  VAL  28          2HG2      VAL  28   0.589   0.626   1.065
  195   3HG2  VAL  28          3HG2      VAL  28  -0.418   1.551  -0.036
  196    H    LYS  29           H        LYS  29   4.285   2.840  -1.456
  197    HA   LYS  29           HA       LYS  29   4.560   5.609  -0.955
  198   1HB   LYS  29          1HB       LYS  29   6.387   3.467  -2.149
  199   2HB   LYS  29          2HB       LYS  29   6.915   5.095  -1.762
  200   1HG   LYS  29          1HG       LYS  29   6.313   4.774   0.615
  201   2HG   LYS  29          2HG       LYS  29   5.614   3.216   0.248
  202   1HD   LYS  29          1HD       LYS  29   7.726   2.876   1.312
  203   2HD   LYS  29          2HD       LYS  29   7.775   2.275  -0.341
  204   1HE   LYS  29          1HE       LYS  29   9.855   3.448   0.368
  205   2HE   LYS  29          2HE       LYS  29   9.123   4.152  -1.073
  206   1HZ   LYS  29          1HZ       LYS  29   8.832   5.290   1.660
  207   2HZ   LYS  29          2HZ       LYS  29   9.922   5.748   0.536
  208   3HZ   LYS  29          3HZ       LYS  29   8.362   5.978   0.199
  209    H    GLY  30           H        GLY  30   4.385   3.731  -3.957
  210   1HA   GLY  30          1HA       GLY  30   3.859   4.311  -6.090
  211   2HA   GLY  30          2HA       GLY  30   4.745   5.817  -5.838
  212    H    SER  31           H        SER  31   1.989   4.879  -3.844
  213    HA   SER  31           HA       SER  31   0.017   6.269  -5.452
  214   1HB   SER  31          1HB       SER  31  -0.447   4.167  -4.203
  215   2HB   SER  31          2HB       SER  31  -0.221   5.032  -2.676
  216    HG   SER  31           HG       SER  31  -2.369   4.929  -3.091
  217    H    CYS  32           H        CYS  32   1.419   6.773  -2.150
  218    HA   CYS  32           HA       CYS  32   0.384   9.601  -2.255
  219   1HB   CYS  32          1HB       CYS  32   0.199   7.532  -0.078
  220   2HB   CYS  32          2HB       CYS  32  -0.194   9.204   0.208
  221    HA   PRO  33           HA       PRO  33   4.504  10.411  -0.833
  222   1HB   PRO  33          1HB       PRO  33   4.263  12.860   0.382
  223   2HB   PRO  33          2HB       PRO  33   4.025  12.642  -1.375
  224   1HG   PRO  33          1HG       PRO  33   1.891  12.729   0.782
  225   2HG   PRO  33          2HG       PRO  33   1.947  13.665  -0.742
  226   1HD   PRO  33          1HD       PRO  33   0.529  11.345  -0.501
  227   2HD   PRO  33          2HD       PRO  33   1.364  11.764  -2.024
  228    HA   PRO  34           HA       PRO  34   4.603   9.252   3.507
  229   1HB   PRO  34          1HB       PRO  34   6.982  10.366   4.420
  230   2HB   PRO  34          2HB       PRO  34   6.985   9.015   3.294
  231   1HG   PRO  34          1HG       PRO  34   7.206  11.937   2.576
  232   2HG   PRO  34          2HG       PRO  34   8.257  10.600   2.064
  233   1HD   PRO  34          1HD       PRO  34   6.234  11.484   0.490
  234   2HD   PRO  34          2HD       PRO  34   6.557   9.731   0.617
  235    HA   PRO  35           HA       PRO  35   4.617   9.303   5.775
  236   1HB   PRO  35          1HB       PRO  35   2.976   9.682   7.859
  237   2HB   PRO  35          2HB       PRO  35   4.574  10.484   7.800
  238   1HG   PRO  35          1HG       PRO  35   1.908  11.706   7.050
  239   2HG   PRO  35          2HG       PRO  35   3.157  12.379   8.144
  240   1HD   PRO  35          1HD       PRO  35   3.026  13.086   5.502
  241   2HD   PRO  35          2HD       PRO  35   4.589  12.907   6.343
  242    H    TRP  36           H        TRP  36   2.816   7.678   6.393
  243    HA   TRP  36           HA       TRP  36   0.526   7.908   4.479
  244   1HB   TRP  36          1HB       TRP  36   2.140   5.539   5.469
  245   2HB   TRP  36          2HB       TRP  36   0.631   5.400   4.572
  246    HD1  TRP  36           HD1      TRP  36   0.628   6.425   2.108
  247    HE1  TRP  36           HE1      TRP  36   2.477   6.921   0.366
  248    HE3  TRP  36           HE3      TRP  36   4.706   6.039   5.146
  249    HZ2  TRP  36           HZ2      TRP  36   5.304   7.320   0.374
  250    HZ3  TRP  36           HZ3      TRP  36   6.970   6.452   4.246
  251    HH2  TRP  36           HH2      TRP  36   7.266   7.118   1.858
  252    H    SER  37           H        SER  37  -1.345   8.239   5.426
  253    HA   SER  37           HA       SER  37  -3.062   8.304   6.894
  254   1HB   SER  37          1HB       SER  37  -1.736   6.103   8.506
  255   2HB   SER  37          2HB       SER  37  -3.423   6.598   8.524
  256    HG   SER  37           HG       SER  37  -2.229   5.793   6.078

  No H/Q in entry =         256
  Start of MODEL   18
    1    H1   ASP   1           H1       ASP   1  -6.748  -6.294  -5.097
    2    H2   ASP   1           H2       ASP   1  -7.698  -7.369  -5.910
    3    H3   ASP   1           H3       ASP   1  -8.403  -6.064  -5.201
    4    HA   ASP   1           HA       ASP   1  -8.818  -7.812  -3.746
    5   1HB   ASP   1          1HB       ASP   1  -7.145  -9.358  -3.011
    6   2HB   ASP   1          2HB       ASP   1  -6.879  -9.218  -4.755
    7    H    ILE   2           H        ILE   2  -7.315  -8.037  -1.364
    8    HA   ILE   2           HA       ILE   2  -7.543  -5.481  -0.146
    9    HB   ILE   2           HB       ILE   2  -7.627  -7.666   1.003
   10   1HG1  ILE   2          1HG1      ILE   2  -6.272  -7.184   3.005
   11   2HG1  ILE   2          2HG1      ILE   2  -5.460  -5.855   2.170
   12   1HG2  ILE   2          1HG2      ILE   2  -5.709  -8.805  -0.159
   13   2HG2  ILE   2          2HG2      ILE   2  -4.585  -7.769   0.746
   14   3HG2  ILE   2          3HG2      ILE   2  -5.607  -8.923   1.595
   15   1HD1  ILE   2          1HD1      ILE   2  -8.465  -6.065   2.645
   16   2HD1  ILE   2          2HD1      ILE   2  -7.331  -5.300   3.768
   17   3HD1  ILE   2          3HD1      ILE   2  -7.539  -4.611   2.150
   18    H    CYS   3           H        CYS   3  -4.743  -7.012  -1.782
   19    HA   CYS   3           HA       CYS   3  -2.792  -5.092  -0.978
   20   1HB   CYS   3          1HB       CYS   3  -2.779  -7.217  -2.777
   21   2HB   CYS   3          2HB       CYS   3  -2.782  -5.836  -3.871
   22    H    ASP   4           H        ASP   4  -5.187  -5.070  -3.566
   23    HA   ASP   4           HA       ASP   4  -4.408  -2.501  -4.594
   24   1HB   ASP   4          1HB       ASP   4  -5.738  -4.140  -5.934
   25   2HB   ASP   4          2HB       ASP   4  -7.135  -3.847  -4.870
   26    H    ILE   5           H        ILE   5  -6.854  -3.565  -2.275
   27    HA   ILE   5           HA       ILE   5  -8.019  -1.106  -1.592
   28    HB   ILE   5           HB       ILE   5  -7.392  -3.363   0.301
   29   1HG1  ILE   5          1HG1      ILE   5  -9.822  -2.745  -1.425
   30   2HG1  ILE   5          2HG1      ILE   5  -8.748  -4.083  -1.636
   31   1HG2  ILE   5          1HG2      ILE   5  -7.927  -1.280   1.483
   32   2HG2  ILE   5          2HG2      ILE   5  -9.449  -1.159   0.557
   33   3HG2  ILE   5          3HG2      ILE   5  -9.172  -2.503   1.696
   34   1HD1  ILE   5          1HD1      ILE   5  -9.458  -4.798   0.776
   35   2HD1  ILE   5          2HD1      ILE   5 -10.804  -3.671   0.521
   36   3HD1  ILE   5          3HD1      ILE   5 -10.559  -5.043  -0.582
   37    H    ALA   6           H        ALA   6  -5.084  -2.659  -0.145
   38    HA   ALA   6           HA       ALA   6  -4.445  -0.597   1.669
   39   1HB   ALA   6          1HB       ALA   6  -2.244  -1.625   1.785
   40   2HB   ALA   6          2HB       ALA   6  -3.422  -2.944   1.591
   41   3HB   ALA   6          3HB       ALA   6  -2.461  -2.404   0.209
   42    H    ILE   7           H        ILE   7  -3.531  -0.993  -1.756
   43    HA   ILE   7           HA       ILE   7  -1.869   1.356  -1.775
   44    HB   ILE   7           HB       ILE   7  -3.095  -0.305  -3.974
   45   1HG1  ILE   7          1HG1      ILE   7  -0.177  -0.083  -3.117
   46   2HG1  ILE   7          2HG1      ILE   7  -1.260  -1.193  -2.285
   47   1HG2  ILE   7          1HG2      ILE   7  -1.000   1.904  -4.173
   48   2HG2  ILE   7          2HG2      ILE   7  -1.471   0.820  -5.491
   49   3HG2  ILE   7          3HG2      ILE   7  -2.637   1.974  -4.857
   50   1HD1  ILE   7          1HD1      ILE   7  -1.827  -2.315  -4.368
   51   2HD1  ILE   7          2HD1      ILE   7  -0.681  -1.284  -5.257
   52   3HD1  ILE   7          3HD1      ILE   7  -0.092  -2.393  -4.000
   53    H    ALA   8           H        ALA   8  -5.314   0.833  -2.423
   54    HA   ALA   8           HA       ALA   8  -5.913   3.474  -3.380
   55   1HB   ALA   8          1HB       ALA   8  -7.415   1.367  -3.393
   56   2HB   ALA   8          2HB       ALA   8  -7.783   1.732  -1.708
   57   3HB   ALA   8          3HB       ALA   8  -8.186   2.907  -2.966
   58    H    GLN   9           H        GLN   9  -5.809   1.934  -0.234
   59    HA   GLN   9           HA       GLN   9  -6.665   4.215   1.325
   60   1HB   GLN   9          1HB       GLN   9  -5.400   1.496   1.919
   61   2HB   GLN   9          2HB       GLN   9  -5.871   2.543   3.220
   62   1HG   GLN   9          1HG       GLN   9  -7.808   1.465   1.106
   63   2HG   GLN   9          2HG       GLN   9  -7.496   0.718   2.675
   64   2HE2  GLN   9          2HE2      GLN   9  -9.300   1.028   3.924
   65   1HE2  GLN   9          1HE2      GLN   9 -10.198   2.531   3.978
   66    H    CYS  10           H        CYS  10  -3.724   2.958   0.120
   67    HA   CYS  10           HA       CYS  10  -1.581   3.231   0.391
   68   1HB   CYS  10          1HB       CYS  10  -0.733   5.606   0.609
   69   2HB   CYS  10          2HB       CYS  10  -1.553   5.061  -0.844
   70    H    SER  11           H        SER  11  -2.036   1.998   2.244
   71    HA   SER  11           HA       SER  11  -1.028   3.203   4.766
   72   1HB   SER  11          1HB       SER  11  -3.300   2.753   5.169
   73   2HB   SER  11          2HB       SER  11  -3.267   1.220   4.298
   74    HG   SER  11           HG       SER  11  -3.143   1.153   6.707
   75    H    LEU  12           H        LEU  12   0.970   2.500   4.999
   76    HA   LEU  12           HA       LEU  12   2.035   0.154   3.702
   77   1HB   LEU  12          1HB       LEU  12   3.084   1.896   5.946
   78   2HB   LEU  12          2HB       LEU  12   4.001   0.598   5.176
   79    HG   LEU  12           HG       LEU  12   2.841   3.017   3.692
   80   1HD1  LEU  12          1HD1      LEU  12   5.655   2.409   4.627
   81   2HD1  LEU  12          2HD1      LEU  12   5.193   3.752   3.562
   82   3HD1  LEU  12          3HD1      LEU  12   4.579   3.696   5.230
   83   1HD2  LEU  12          1HD2      LEU  12   4.871   0.922   2.792
   84   2HD2  LEU  12          2HD2      LEU  12   3.197   1.046   2.199
   85   3HD2  LEU  12          3HD2      LEU  12   4.342   2.333   1.868
   86    H    THR  13           H        THR  13   0.387   0.678   6.791
   87    HA   THR  13           HA       THR  13   1.264  -1.910   7.779
   88    HB   THR  13           HB       THR  13  -1.144  -0.369   8.781
   89    HG1  THR  13           HG1      THR  13   1.016   0.106  10.224
   90   1HG2  THR  13          1HG2      THR  13   0.896  -2.287  10.034
   91   2HG2  THR  13          2HG2      THR  13  -0.427  -1.522  10.910
   92   3HG2  THR  13          3HG2      THR  13  -0.786  -2.690   9.641
   93    H    LEU  14           H        LEU  14  -1.716  -0.698   5.987
   94    HA   LEU  14           HA       LEU  14  -3.041  -3.155   6.334
   95   1HB   LEU  14          1HB       LEU  14  -4.078  -0.962   5.905
   96   2HB   LEU  14          2HB       LEU  14  -3.305  -0.959   4.303
   97    HG   LEU  14           HG       LEU  14  -4.439  -2.736   3.533
   98   1HD1  LEU  14          1HD1      LEU  14  -5.573  -2.891   6.335
   99   2HD1  LEU  14          2HD1      LEU  14  -6.415  -3.645   4.954
  100   3HD1  LEU  14          3HD1      LEU  14  -4.775  -4.182   5.384
  101   1HD2  LEU  14          1HD2      LEU  14  -5.523  -0.421   3.550
  102   2HD2  LEU  14          2HD2      LEU  14  -6.705  -1.754   3.443
  103   3HD2  LEU  14          3HD2      LEU  14  -6.402  -0.935   4.990
  104    H    CYS  15           H        CYS  15  -0.437  -2.074   4.195
  105    HA   CYS  15           HA       CYS  15  -0.688  -4.073   2.172
  106   1HB   CYS  15          1HB       CYS  15   1.715  -2.664   3.361
  107   2HB   CYS  15          2HB       CYS  15   1.908  -3.967   2.204
  108    H    GLN  16           H        GLN  16   0.129  -4.404   5.577
  109    HA   GLN  16           HA       GLN  16   1.527  -6.909   5.334
  110   1HB   GLN  16          1HB       GLN  16   0.188  -5.714   7.763
  111   2HB   GLN  16          2HB       GLN  16   1.368  -7.033   7.703
  112   1HG   GLN  16          1HG       GLN  16   2.983  -5.501   6.548
  113   2HG   GLN  16          2HG       GLN  16   1.881  -4.146   6.812
  114   2HE2  GLN  16          2HE2      GLN  16   4.629  -4.617   7.748
  115   1HE2  GLN  16          1HE2      GLN  16   4.603  -4.568   9.508
  116    H    ASP  17           H        ASP  17  -1.811  -6.184   4.867
  117    HA   ASP  17           HA       ASP  17  -2.699  -8.923   5.460
  118   1HB   ASP  17          1HB       ASP  17  -3.934  -6.589   3.924
  119   2HB   ASP  17          2HB       ASP  17  -4.545  -8.220   3.827
  120    H    CYS  18           H        CYS  18  -1.239  -7.139   2.780
  121    HA   CYS  18           HA       CYS  18  -2.153  -8.944   0.717
  122   1HB   CYS  18          1HB       CYS  18  -1.976  -6.700   0.175
  123   2HB   CYS  18          2HB       CYS  18  -0.286  -6.561   0.691
  124    H    GLU  19           H        GLU  19  -1.113 -10.355  -0.524
  125    HA   GLU  19           HA       GLU  19   0.779 -12.155   0.356
  126   1HB   GLU  19          1HB       GLU  19  -0.599 -12.543  -1.520
  127   2HB   GLU  19          2HB       GLU  19   0.110 -11.196  -2.390
  128   1HG   GLU  19          1HG       GLU  19   1.961 -13.422  -1.564
  129   2HG   GLU  19          2HG       GLU  19   0.776 -13.781  -2.818
  130    H    ASN  20           H        ASN  20   1.519  -9.491  -1.959
  131    HA   ASN  20           HA       ASN  20   4.370  -9.916  -1.464
  132   1HB   ASN  20          1HB       ASN  20   4.678  -8.695  -3.468
  133   2HB   ASN  20          2HB       ASN  20   3.601 -10.036  -3.739
  134   2HD2  ASN  20          2HD2      ASN  20   3.500  -8.582  -5.781
  135   1HD2  ASN  20          1HD2      ASN  20   2.082  -7.540  -5.782
  136    H    THR  21           H        THR  21   3.823  -9.005   0.759
  137    HA   THR  21           HA       THR  21   3.163  -6.540   1.394
  138    HB   THR  21           HB       THR  21   5.631  -7.284   2.834
  139    HG1  THR  21           HG1      THR  21   3.459  -9.098   2.896
  140   1HG2  THR  21          1HG2      THR  21   3.925  -5.724   3.676
  141   2HG2  THR  21          2HG2      THR  21   2.751  -7.059   3.621
  142   3HG2  THR  21          3HG2      THR  21   4.136  -7.129   4.740
  143    HA   PRO  22           HA       PRO  22   7.194  -4.223   0.792
  144   1HB   PRO  22          1HB       PRO  22   9.339  -5.236  -0.629
  145   2HB   PRO  22          2HB       PRO  22   9.082  -5.551   1.099
  146   1HG   PRO  22          1HG       PRO  22   8.365  -7.347  -1.223
  147   2HG   PRO  22          2HG       PRO  22   9.177  -7.793   0.301
  148   1HD   PRO  22          1HD       PRO  22   6.528  -8.197  -0.053
  149   2HD   PRO  22          2HD       PRO  22   7.230  -7.715   1.515
  150    H    ILE  23           H        ILE  23   6.123  -6.192  -2.012
  151    HA   ILE  23           HA       ILE  23   6.688  -4.212  -4.035
  152    HB   ILE  23           HB       ILE  23   4.776  -6.483  -3.804
  153   1HG1  ILE  23          1HG1      ILE  23   6.158  -7.413  -5.553
  154   2HG1  ILE  23          2HG1      ILE  23   7.191  -5.982  -5.550
  155   1HG2  ILE  23          1HG2      ILE  23   5.172  -4.638  -6.173
  156   2HG2  ILE  23          2HG2      ILE  23   4.334  -6.178  -6.224
  157   3HG2  ILE  23          3HG2      ILE  23   3.660  -4.868  -5.263
  158   1HD1  ILE  23          1HD1      ILE  23   6.905  -7.886  -3.186
  159   2HD1  ILE  23          2HD1      ILE  23   8.143  -8.047  -4.446
  160   3HD1  ILE  23          3HD1      ILE  23   8.139  -6.613  -3.426
  161    H    CYS  24           H        CYS  24   3.975  -5.040  -1.889
  162    HA   CYS  24           HA       CYS  24   2.112  -3.078  -2.792
  163   1HB   CYS  24          1HB       CYS  24   1.482  -5.034  -1.519
  164   2HB   CYS  24          2HB       CYS  24   2.343  -4.480  -0.098
  165    H    GLU  25           H        GLU  25   4.491  -3.094  -0.108
  166    HA   GLU  25           HA       GLU  25   4.085  -0.518   0.876
  167   1HB   GLU  25          1HB       GLU  25   6.468  -2.335   0.620
  168   2HB   GLU  25          2HB       GLU  25   6.698  -0.807   1.330
  169   1HG   GLU  25          1HG       GLU  25   4.830  -1.341   3.004
  170   2HG   GLU  25          2HG       GLU  25   4.788  -2.968   2.335
  171    H    LEU  26           H        LEU  26   6.270  -1.573  -1.785
  172    HA   LEU  26           HA       LEU  26   7.251   0.956  -2.468
  173   1HB   LEU  26          1HB       LEU  26   7.985  -1.302  -3.296
  174   2HB   LEU  26          2HB       LEU  26   6.702  -1.191  -4.482
  175    HG   LEU  26           HG       LEU  26   9.014  -0.481  -5.114
  176   1HD1  LEU  26          1HD1      LEU  26   7.016   0.106  -6.505
  177   2HD1  LEU  26          2HD1      LEU  26   6.950   1.678  -5.685
  178   3HD1  LEU  26          3HD1      LEU  26   8.360   1.246  -6.660
  179   1HD2  LEU  26          1HD2      LEU  26   9.554   0.896  -3.122
  180   2HD2  LEU  26          2HD2      LEU  26   9.922   1.645  -4.686
  181   3HD2  LEU  26          3HD2      LEU  26   8.497   2.173  -3.783
  182    H    ALA  27           H        ALA  27   4.406  -0.778  -3.819
  183    HA   ALA  27           HA       ALA  27   3.523   1.225  -5.584
  184   1HB   ALA  27          1HB       ALA  27   1.918  -0.866  -4.067
  185   2HB   ALA  27          2HB       ALA  27   1.336   0.083  -5.447
  186   3HB   ALA  27          3HB       ALA  27   2.682  -1.055  -5.657
  187    H    VAL  28           H        VAL  28   2.674   0.748  -2.121
  188    HA   VAL  28           HA       VAL  28   0.826   2.871  -1.863
  189    HB   VAL  28           HB       VAL  28   2.682   1.539   0.047
  190   1HG1  VAL  28          1HG1      VAL  28   0.770   3.828   0.601
  191   2HG1  VAL  28          2HG1      VAL  28   1.314   2.718   1.869
  192   3HG1  VAL  28          3HG1      VAL  28   2.492   3.722   1.018
  193   1HG2  VAL  28          1HG2      VAL  28   0.713   0.245  -0.728
  194   2HG2  VAL  28          2HG2      VAL  28   0.575   0.669   0.995
  195   3HG2  VAL  28          3HG2      VAL  28  -0.343   1.561  -0.213
  196    H    LYS  29           H        LYS  29   4.431   2.865  -1.508
  197    HA   LYS  29           HA       LYS  29   4.612   5.630  -0.890
  198   1HB   LYS  29          1HB       LYS  29   6.576   3.557  -1.952
  199   2HB   LYS  29          2HB       LYS  29   6.999   5.216  -1.577
  200   1HG   LYS  29          1HG       LYS  29   6.164   4.907   0.770
  201   2HG   LYS  29          2HG       LYS  29   5.703   3.268   0.369
  202   1HD   LYS  29          1HD       LYS  29   7.798   3.311   1.635
  203   2HD   LYS  29          2HD       LYS  29   7.962   2.551   0.057
  204   1HE   LYS  29          1HE       LYS  29   9.877   4.062   0.690
  205   2HE   LYS  29          2HE       LYS  29   9.141   4.420  -0.868
  206   1HZ   LYS  29          1HZ       LYS  29   8.229   5.927   1.483
  207   2HZ   LYS  29          2HZ       LYS  29   9.673   6.280   0.853
  208   3HZ   LYS  29          3HZ       LYS  29   8.355   6.389  -0.098
  209    H    GLY  30           H        GLY  30   4.632   3.862  -3.987
  210   1HA   GLY  30          1HA       GLY  30   4.273   4.609  -6.113
  211   2HA   GLY  30          2HA       GLY  30   5.082   6.125  -5.685
  212    H    SER  31           H        SER  31   2.218   4.805  -4.112
  213    HA   SER  31           HA       SER  31   0.303   6.138  -5.772
  214   1HB   SER  31          1HB       SER  31  -0.038   3.943  -4.748
  215   2HB   SER  31          2HB       SER  31   0.058   4.659  -3.127
  216    HG   SER  31           HG       SER  31  -2.063   4.342  -3.657
  217    H    CYS  32           H        CYS  32   1.684   6.819  -2.519
  218    HA   CYS  32           HA       CYS  32   0.174   9.403  -2.459
  219   1HB   CYS  32          1HB       CYS  32   0.184   7.151  -0.482
  220   2HB   CYS  32          2HB       CYS  32  -0.269   8.753   0.050
  221    HA   PRO  33           HA       PRO  33   4.036  10.802  -0.881
  222   1HB   PRO  33          1HB       PRO  33   3.344  13.016   0.567
  223   2HB   PRO  33          2HB       PRO  33   3.115  12.956  -1.200
  224   1HG   PRO  33          1HG       PRO  33   1.052  12.377   0.941
  225   2HG   PRO  33          2HG       PRO  33   0.896  13.491  -0.451
  226   1HD   PRO  33          1HD       PRO  33  -0.049  10.943  -0.546
  227   2HD   PRO  33          2HD       PRO  33   0.711  11.684  -1.978
  228    HA   PRO  34           HA       PRO  34   4.232   9.487   3.482
  229   1HB   PRO  34          1HB       PRO  34   6.357  10.938   4.435
  230   2HB   PRO  34          2HB       PRO  34   6.586   9.585   3.319
  231   1HG   PRO  34          1HG       PRO  34   6.452  12.519   2.631
  232   2HG   PRO  34          2HG       PRO  34   7.659  11.308   2.091
  233   1HD   PRO  34          1HD       PRO  34   5.507  12.046   0.570
  234   2HD   PRO  34          2HD       PRO  34   6.146  10.381   0.531
  235    HA   PRO  35           HA       PRO  35   4.492   9.713   5.784
  236   1HB   PRO  35          1HB       PRO  35   2.993   9.879   8.026
  237   2HB   PRO  35          2HB       PRO  35   4.384  10.963   7.750
  238   1HG   PRO  35          1HG       PRO  35   1.449  11.560   7.259
  239   2HG   PRO  35          2HG       PRO  35   2.638  12.555   8.130
  240   1HD   PRO  35          1HD       PRO  35   2.008  12.956   5.473
  241   2HD   PRO  35          2HD       PRO  35   3.640  13.278   6.113
  242    H    TRP  36           H        TRP  36   3.587   7.654   5.484
  243    HA   TRP  36           HA       TRP  36   0.827   7.430   4.495
  244   1HB   TRP  36          1HB       TRP  36   2.886   5.307   5.132
  245   2HB   TRP  36          2HB       TRP  36   1.310   5.047   4.366
  246    HD1  TRP  36           HD1      TRP  36   0.947   6.097   1.922
  247    HE1  TRP  36           HE1      TRP  36   2.553   6.977   0.095
  248    HE3  TRP  36           HE3      TRP  36   5.310   6.169   4.600
  249    HZ2  TRP  36           HZ2      TRP  36   5.272   7.863  -0.077
  250    HZ3  TRP  36           HZ3      TRP  36   7.392   7.035   3.573
  251    HH2  TRP  36           HH2      TRP  36   7.327   8.069   1.309
  252    H    SER  37           H        SER  37  -0.130   8.457   6.238
  253    HA   SER  37           HA       SER  37  -0.966   6.676   8.423
  254   1HB   SER  37          1HB       SER  37   0.089   9.499   8.942
  255   2HB   SER  37          2HB       SER  37  -0.506   8.317  10.124
  256    HG   SER  37           HG       SER  37   1.251   6.937   9.277

  No H/Q in entry =         256
  Start of MODEL   19
    1    H1   ASP   1           H1       ASP   1  -8.224  -5.452  -5.127
    2    H2   ASP   1           H2       ASP   1  -6.789  -6.208  -5.500
    3    H3   ASP   1           H3       ASP   1  -8.265  -6.772  -6.084
    4    HA   ASP   1           HA       ASP   1  -8.921  -7.469  -3.966
    5   1HB   ASP   1          1HB       ASP   1  -7.269  -9.122  -3.420
    6   2HB   ASP   1          2HB       ASP   1  -7.127  -8.893  -5.168
    7    H    ILE   2           H        ILE   2  -7.382  -7.885  -1.647
    8    HA   ILE   2           HA       ILE   2  -7.565  -5.386  -0.348
    9    HB   ILE   2           HB       ILE   2  -7.680  -7.631   0.685
   10   1HG1  ILE   2          1HG1      ILE   2  -6.405  -7.243   2.737
   11   2HG1  ILE   2          2HG1      ILE   2  -5.578  -5.864   2.009
   12   1HG2  ILE   2          1HG2      ILE   2  -5.704  -8.683  -0.470
   13   2HG2  ILE   2          2HG2      ILE   2  -4.630  -7.683   0.529
   14   3HG2  ILE   2          3HG2      ILE   2  -5.665  -8.887   1.288
   15   1HD1  ILE   2          1HD1      ILE   2  -8.612  -6.098   2.241
   16   2HD1  ILE   2          2HD1      ILE   2  -7.612  -5.464   3.545
   17   3HD1  ILE   2          3HD1      ILE   2  -7.642  -4.622   1.986
   18    H    CYS   3           H        CYS   3  -4.804  -6.874  -2.068
   19    HA   CYS   3           HA       CYS   3  -2.810  -5.019  -1.136
   20   1HB   CYS   3          1HB       CYS   3  -2.832  -7.139  -2.970
   21   2HB   CYS   3          2HB       CYS   3  -2.798  -5.755  -4.052
   22    H    ASP   4           H        ASP   4  -5.187  -4.832  -3.736
   23    HA   ASP   4           HA       ASP   4  -4.358  -2.237  -4.699
   24   1HB   ASP   4          1HB       ASP   4  -5.730  -3.908  -5.980
   25   2HB   ASP   4          2HB       ASP   4  -7.105  -3.517  -4.918
   26    H    ILE   5           H        ILE   5  -6.860  -3.387  -2.414
   27    HA   ILE   5           HA       ILE   5  -7.941  -0.948  -1.610
   28    HB   ILE   5           HB       ILE   5  -7.315  -3.311   0.184
   29   1HG1  ILE   5          1HG1      ILE   5  -9.759  -2.485  -1.402
   30   2HG1  ILE   5          2HG1      ILE   5  -8.805  -3.899  -1.661
   31   1HG2  ILE   5          1HG2      ILE   5  -7.677  -1.194   1.467
   32   2HG2  ILE   5          2HG2      ILE   5  -9.281  -1.098   0.693
   33   3HG2  ILE   5          3HG2      ILE   5  -8.839  -2.446   1.780
   34   1HD1  ILE   5          1HD1      ILE   5 -10.540  -3.319   0.799
   35   2HD1  ILE   5          2HD1      ILE   5 -10.989  -4.364  -0.513
   36   3HD1  ILE   5          3HD1      ILE   5  -9.621  -4.812   0.528
   37    H    ALA   6           H        ALA   6  -5.079  -2.576  -0.143
   38    HA   ALA   6           HA       ALA   6  -4.461  -0.525   1.714
   39   1HB   ALA   6          1HB       ALA   6  -2.210  -1.658   1.764
   40   2HB   ALA   6          2HB       ALA   6  -3.493  -2.889   1.700
   41   3HB   ALA   6          3HB       ALA   6  -2.581  -2.484   0.245
   42    H    ILE   7           H        ILE   7  -3.664  -0.811  -1.731
   43    HA   ILE   7           HA       ILE   7  -1.800   1.411  -1.647
   44    HB   ILE   7           HB       ILE   7  -3.032  -0.095  -3.947
   45   1HG1  ILE   7          1HG1      ILE   7  -0.144  -0.135  -2.982
   46   2HG1  ILE   7          2HG1      ILE   7  -1.321  -1.177  -2.201
   47   1HG2  ILE   7          1HG2      ILE   7  -0.846   2.038  -3.864
   48   2HG2  ILE   7          2HG2      ILE   7  -1.138   0.971  -5.242
   49   3HG2  ILE   7          3HG2      ILE   7  -2.385   2.120  -4.751
   50   1HD1  ILE   7          1HD1      ILE   7  -1.947  -2.189  -4.338
   51   2HD1  ILE   7          2HD1      ILE   7  -0.713  -1.237  -5.170
   52   3HD1  ILE   7          3HD1      ILE   7  -0.236  -2.425  -3.935
   53    H    ALA   8           H        ALA   8  -5.232   1.027  -2.496
   54    HA   ALA   8           HA       ALA   8  -5.743   3.698  -3.390
   55   1HB   ALA   8          1HB       ALA   8  -7.287   1.703  -3.599
   56   2HB   ALA   8          2HB       ALA   8  -7.588   1.793  -1.859
   57   3HB   ALA   8          3HB       ALA   8  -8.062   3.140  -2.896
   58    H    GLN   9           H        GLN   9  -5.805   2.063  -0.296
   59    HA   GLN   9           HA       GLN   9  -6.597   4.392   1.285
   60   1HB   GLN   9          1HB       GLN   9  -5.957   1.466   1.799
   61   2HB   GLN   9          2HB       GLN   9  -6.140   2.556   3.138
   62   1HG   GLN   9          1HG       GLN   9  -8.380   3.292   2.260
   63   2HG   GLN   9          2HG       GLN   9  -8.141   2.313   0.808
   64   2HE2  GLN   9          2HE2      GLN   9  -7.200   0.919   3.869
   65   1HE2  GLN   9          1HE2      GLN   9  -8.570  -0.181   3.960
   66    H    CYS  10           H        CYS  10  -3.728   2.923   0.148
   67    HA   CYS  10           HA       CYS  10  -1.576   3.229   0.348
   68   1HB   CYS  10          1HB       CYS  10  -0.732   5.567   0.672
   69   2HB   CYS  10          2HB       CYS  10  -1.607   5.104  -0.762
   70    H    SER  11           H        SER  11  -1.400   1.883   2.001
   71    HA   SER  11           HA       SER  11  -0.672   2.960   4.674
   72   1HB   SER  11          1HB       SER  11  -3.104   2.220   4.667
   73   2HB   SER  11          2HB       SER  11  -2.570   0.637   4.140
   74    HG   SER  11           HG       SER  11  -2.150   1.939   6.608
   75    H    LEU  12           H        LEU  12   1.381   2.201   4.959
   76    HA   LEU  12           HA       LEU  12   2.355  -0.229   3.638
   77   1HB   LEU  12          1HB       LEU  12   3.501   1.298   5.984
   78   2HB   LEU  12          2HB       LEU  12   4.303   0.058   5.011
   79    HG   LEU  12           HG       LEU  12   3.471   2.876   4.159
   80   1HD1  LEU  12          1HD1      LEU  12   6.121   1.391   4.433
   81   2HD1  LEU  12          2HD1      LEU  12   5.962   3.003   3.716
   82   3HD1  LEU  12          3HD1      LEU  12   5.536   2.742   5.431
   83   1HD2  LEU  12          1HD2      LEU  12   3.174   1.228   2.241
   84   2HD2  LEU  12          2HD2      LEU  12   4.392   2.482   1.970
   85   3HD2  LEU  12          3HD2      LEU  12   4.906   0.855   2.414
   86    H    THR  13           H        THR  13   0.772   0.658   6.693
   87    HA   THR  13           HA       THR  13   1.242  -1.859   7.929
   88    HB   THR  13           HB       THR  13  -1.142  -0.014   8.301
   89    HG1  THR  13           HG1      THR  13   0.107   1.058   9.776
   90   1HG2  THR  13          1HG2      THR  13  -1.337  -2.206   9.485
   91   2HG2  THR  13          2HG2      THR  13   0.203  -1.900  10.300
   92   3HG2  THR  13          3HG2      THR  13  -1.194  -0.844  10.601
   93    H    LEU  14           H        LEU  14  -1.623  -0.748   6.017
   94    HA   LEU  14           HA       LEU  14  -2.911  -3.267   6.295
   95   1HB   LEU  14          1HB       LEU  14  -3.712  -0.863   5.472
   96   2HB   LEU  14          2HB       LEU  14  -3.476  -1.576   3.876
   97    HG   LEU  14           HG       LEU  14  -5.228  -2.511   6.213
   98   1HD1  LEU  14          1HD1      LEU  14  -5.983  -0.425   5.110
   99   2HD1  LEU  14          2HD1      LEU  14  -5.965  -1.258   3.538
  100   3HD1  LEU  14          3HD1      LEU  14  -7.093  -1.772   4.811
  101   1HD2  LEU  14          1HD2      LEU  14  -4.778  -3.611   3.427
  102   2HD2  LEU  14          2HD2      LEU  14  -4.667  -4.460   5.001
  103   3HD2  LEU  14          3HD2      LEU  14  -6.243  -3.937   4.373
  104    H    CYS  15           H        CYS  15  -0.223  -2.294   4.263
  105    HA   CYS  15           HA       CYS  15  -0.515  -4.205   2.205
  106   1HB   CYS  15          1HB       CYS  15   2.023  -3.147   3.504
  107   2HB   CYS  15          2HB       CYS  15   2.006  -4.266   2.174
  108    H    GLN  16           H        GLN  16   0.478  -4.759   5.656
  109    HA   GLN  16           HA       GLN  16   1.411  -7.364   5.224
  110   1HB   GLN  16          1HB       GLN  16   0.015  -6.009   7.590
  111   2HB   GLN  16          2HB       GLN  16   0.593  -7.676   7.628
  112   1HG   GLN  16          1HG       GLN  16   2.470  -6.768   8.387
  113   2HG   GLN  16          2HG       GLN  16   2.833  -6.621   6.664
  114   2HE2  GLN  16          2HE2      GLN  16   1.290  -4.759   9.305
  115   1HE2  GLN  16          1HE2      GLN  16   2.149  -3.265   8.943
  116    H    ASP  17           H        ASP  17  -1.934  -6.380   4.735
  117    HA   ASP  17           HA       ASP  17  -2.895  -9.166   5.106
  118   1HB   ASP  17          1HB       ASP  17  -4.174  -6.703   3.832
  119   2HB   ASP  17          2HB       ASP  17  -4.815  -8.335   3.701
  120    H    CYS  18           H        CYS  18  -1.476  -7.159   2.566
  121    HA   CYS  18           HA       CYS  18  -2.274  -8.965   0.416
  122   1HB   CYS  18          1HB       CYS  18  -2.057  -6.707  -0.110
  123   2HB   CYS  18          2HB       CYS  18  -0.405  -6.567   0.503
  124    H    GLU  19           H        GLU  19  -0.933 -10.389  -0.684
  125    HA   GLU  19           HA       GLU  19   0.748 -12.088   0.646
  126   1HB   GLU  19          1HB       GLU  19  -0.276 -12.446  -1.571
  127   2HB   GLU  19          2HB       GLU  19   0.900 -11.314  -2.234
  128   1HG   GLU  19          1HG       GLU  19   2.743 -12.874  -1.412
  129   2HG   GLU  19          2HG       GLU  19   1.457 -13.984  -0.899
  130    H    ASN  20           H        ASN  20   1.836  -9.445  -1.511
  131    HA   ASN  20           HA       ASN  20   4.616  -9.890  -0.646
  132   1HB   ASN  20          1HB       ASN  20   5.129  -8.715  -2.715
  133   2HB   ASN  20          2HB       ASN  20   4.260 -10.219  -2.897
  134   2HD2  ASN  20          2HD2      ASN  20   3.012  -6.797  -2.451
  135   1HD2  ASN  20          1HD2      ASN  20   2.086  -6.872  -3.942
  136    H    THR  21           H        THR  21   3.963  -8.709   1.477
  137    HA   THR  21           HA       THR  21   3.250  -6.236   1.811
  138    HB   THR  21           HB       THR  21   5.708  -7.014   3.299
  139    HG1  THR  21           HG1      THR  21   4.178  -8.195   4.611
  140   1HG2  THR  21          1HG2      THR  21   4.575  -4.837   3.840
  141   2HG2  THR  21          2HG2      THR  21   3.099  -5.743   4.203
  142   3HG2  THR  21          3HG2      THR  21   4.556  -5.992   5.171
  143    HA   PRO  22           HA       PRO  22   7.269  -3.860   0.819
  144   1HB   PRO  22          1HB       PRO  22   9.270  -5.070  -0.686
  145   2HB   PRO  22          2HB       PRO  22   9.205  -5.056   1.096
  146   1HG   PRO  22          1HG       PRO  22   8.217  -7.229  -0.782
  147   2HG   PRO  22          2HG       PRO  22   9.284  -7.421   0.647
  148   1HD   PRO  22          1HD       PRO  22   6.684  -7.907   0.908
  149   2HD   PRO  22          2HD       PRO  22   7.527  -6.925   2.138
  150    H    ILE  23           H        ILE  23   6.018  -6.081  -1.711
  151    HA   ILE  23           HA       ILE  23   6.571  -4.153  -3.873
  152    HB   ILE  23           HB       ILE  23   5.129  -6.721  -3.609
  153   1HG1  ILE  23          1HG1      ILE  23   7.646  -6.477  -3.974
  154   2HG1  ILE  23          2HG1      ILE  23   6.736  -7.548  -5.014
  155   1HG2  ILE  23          1HG2      ILE  23   4.860  -4.838  -5.974
  156   2HG2  ILE  23          2HG2      ILE  23   4.543  -6.589  -6.050
  157   3HG2  ILE  23          3HG2      ILE  23   3.572  -5.570  -5.001
  158   1HD1  ILE  23          1HD1      ILE  23   7.519  -4.727  -5.829
  159   2HD1  ILE  23          2HD1      ILE  23   8.366  -6.223  -6.286
  160   3HD1  ILE  23          3HD1      ILE  23   6.716  -5.947  -6.843
  161    H    CYS  24           H        CYS  24   3.979  -4.987  -1.590
  162    HA   CYS  24           HA       CYS  24   2.030  -3.140  -2.712
  163   1HB   CYS  24          1HB       CYS  24   1.225  -4.901  -1.405
  164   2HB   CYS  24          2HB       CYS  24   2.240  -4.523  -0.034
  165    H    GLU  25           H        GLU  25   4.473  -2.964  -0.068
  166    HA   GLU  25           HA       GLU  25   4.027  -0.391   0.813
  167   1HB   GLU  25          1HB       GLU  25   6.595  -1.957   0.404
  168   2HB   GLU  25          2HB       GLU  25   6.624  -0.454   1.197
  169   1HG   GLU  25          1HG       GLU  25   5.222  -1.264   3.041
  170   2HG   GLU  25          2HG       GLU  25   5.037  -2.816   2.253
  171    H    LEU  26           H        LEU  26   6.113  -1.524  -1.884
  172    HA   LEU  26           HA       LEU  26   7.057   0.982  -2.662
  173   1HB   LEU  26          1HB       LEU  26   7.929  -1.229  -3.334
  174   2HB   LEU  26          2HB       LEU  26   6.544  -1.431  -4.402
  175    HG   LEU  26           HG       LEU  26   7.179   0.357  -5.797
  176   1HD1  LEU  26          1HD1      LEU  26   9.290   1.156  -3.740
  177   2HD1  LEU  26          2HD1      LEU  26   9.259   1.743  -5.414
  178   3HD1  LEU  26          3HD1      LEU  26   7.936   2.154  -4.329
  179   1HD2  LEU  26          1HD2      LEU  26   8.483  -1.798  -5.876
  180   2HD2  LEU  26          2HD2      LEU  26   9.382  -0.392  -6.521
  181   3HD2  LEU  26          3HD2      LEU  26   9.732  -1.010  -4.883
  182    H    ALA  27           H        ALA  27   4.103  -0.783  -3.728
  183    HA   ALA  27           HA       ALA  27   3.295   1.253  -5.588
  184   1HB   ALA  27          1HB       ALA  27   1.700  -0.893  -4.166
  185   2HB   ALA  27          2HB       ALA  27   1.106   0.133  -5.503
  186   3HB   ALA  27          3HB       ALA  27   2.459  -0.977  -5.772
  187    H    VAL  28           H        VAL  28   2.665   0.813  -2.111
  188    HA   VAL  28           HA       VAL  28   0.758   2.910  -1.767
  189    HB   VAL  28           HB       VAL  28   2.729   1.614   0.053
  190   1HG1  VAL  28          1HG1      VAL  28   0.756   3.818   0.694
  191   2HG1  VAL  28          2HG1      VAL  28   1.409   2.735   1.936
  192   3HG1  VAL  28          3HG1      VAL  28   2.498   3.781   1.029
  193   1HG2  VAL  28          1HG2      VAL  28   0.772   0.250  -0.678
  194   2HG2  VAL  28          2HG2      VAL  28   0.766   0.594   1.059
  195   3HG2  VAL  28          3HG2      VAL  28  -0.295   1.493  -0.023
  196    H    LYS  29           H        LYS  29   4.330   2.875  -1.326
  197    HA   LYS  29           HA       LYS  29   4.814   5.650  -1.098
  198   1HB   LYS  29          1HB       LYS  29   6.243   3.154  -1.936
  199   2HB   LYS  29          2HB       LYS  29   6.842   4.560  -2.778
  200   1HG   LYS  29          1HG       LYS  29   6.489   4.812   0.199
  201   2HG   LYS  29          2HG       LYS  29   7.717   3.702  -0.348
  202   1HD   LYS  29          1HD       LYS  29   8.861   5.332  -1.697
  203   2HD   LYS  29          2HD       LYS  29   7.524   6.475  -1.606
  204   1HE   LYS  29          1HE       LYS  29   9.554   7.100  -0.271
  205   2HE   LYS  29          2HE       LYS  29   8.026   7.141   0.578
  206   1HZ   LYS  29          1HZ       LYS  29   8.706   4.818   1.421
  207   2HZ   LYS  29          2HZ       LYS  29  10.170   5.110   0.806
  208   3HZ   LYS  29          3HZ       LYS  29   9.609   6.052   1.988
  209    H    GLY  30           H        GLY  30   4.266   3.605  -3.921
  210   1HA   GLY  30          1HA       GLY  30   3.580   4.008  -6.028
  211   2HA   GLY  30          2HA       GLY  30   4.659   5.411  -5.989
  212    H    SER  31           H        SER  31   1.616   4.790  -4.078
  213    HA   SER  31           HA       SER  31   0.109   6.547  -5.840
  214   1HB   SER  31          1HB       SER  31  -1.701   6.032  -4.114
  215   2HB   SER  31          2HB       SER  31  -1.089   4.703  -5.107
  216    HG   SER  31           HG       SER  31  -1.274   4.169  -2.877
  217    H    CYS  32           H        CYS  32   1.122   6.620  -2.398
  218    HA   CYS  32           HA       CYS  32   0.294   9.515  -2.258
  219   1HB   CYS  32          1HB       CYS  32   0.133   7.328  -0.209
  220   2HB   CYS  32          2HB       CYS  32  -0.342   8.998   0.082
  221    HA   PRO  33           HA       PRO  33   4.423  10.071  -0.822
  222   1HB   PRO  33          1HB       PRO  33   4.372  12.539   0.325
  223   2HB   PRO  33          2HB       PRO  33   3.989  12.293  -1.402
  224   1HG   PRO  33          1HG       PRO  33   2.036  12.552   0.897
  225   2HG   PRO  33          2HG       PRO  33   2.029  13.417  -0.668
  226   1HD   PRO  33          1HD       PRO  33   0.554  11.127  -0.176
  227   2HD   PRO  33          2HD       PRO  33   1.180  11.543  -1.797
  228    HA   PRO  34           HA       PRO  34   4.697   8.933   3.490
  229   1HB   PRO  34          1HB       PRO  34   7.210   9.988   4.151
  230   2HB   PRO  34          2HB       PRO  34   6.935   8.454   3.351
  231   1HG   PRO  34          1HG       PRO  34   7.697  11.105   2.175
  232   2HG   PRO  34          2HG       PRO  34   8.242   9.493   1.663
  233   1HD   PRO  34          1HD       PRO  34   6.301  10.946   0.348
  234   2HD   PRO  34          2HD       PRO  34   6.296   9.163   0.381
  235    HA   PRO  35           HA       PRO  35   4.622   8.960   5.650
  236   1HB   PRO  35          1HB       PRO  35   3.139   9.434   7.841
  237   2HB   PRO  35          2HB       PRO  35   4.785  10.117   7.659
  238   1HG   PRO  35          1HG       PRO  35   2.151  11.504   7.099
  239   2HG   PRO  35          2HG       PRO  35   3.503  12.089   8.112
  240   1HD   PRO  35          1HD       PRO  35   3.206  12.780   5.437
  241   2HD   PRO  35          2HD       PRO  35   4.795  12.635   6.230
  242    H    TRP  36           H        TRP  36   2.929   7.365   5.959
  243    HA   TRP  36           HA       TRP  36   0.456   7.794   4.349
  244   1HB   TRP  36          1HB       TRP  36   1.809   5.256   5.332
  245   2HB   TRP  36          2HB       TRP  36   0.383   5.344   4.300
  246    HD1  TRP  36           HD1      TRP  36   0.771   6.469   1.853
  247    HE1  TRP  36           HE1      TRP  36   2.829   6.837   0.369
  248    HE3  TRP  36           HE3      TRP  36   4.382   5.077   5.169
  249    HZ2  TRP  36           HZ2      TRP  36   5.690   6.915   0.758
  250    HZ3  TRP  36           HZ3      TRP  36   6.758   5.386   4.644
  251    HH2  TRP  36           HH2      TRP  36   7.428   6.356   2.520
  252    H    SER  37           H        SER  37   0.358   9.183   6.557
  253    HA   SER  37           HA       SER  37  -0.650   9.603   8.534
  254   1HB   SER  37          1HB       SER  37  -2.223   7.020   8.210
  255   2HB   SER  37          2HB       SER  37  -2.643   8.455   9.128
  256    HG   SER  37           HG       SER  37  -2.312   9.487   6.853

  No H/Q in entry =         256
  Start of MODEL   20
    1    H1   ASP   1           H1       ASP   1  -7.396  -6.262  -5.029
    2    H2   ASP   1           H2       ASP   1  -8.498  -7.268  -5.730
    3    H3   ASP   1           H3       ASP   1  -8.997  -5.945  -4.836
    4    HA   ASP   1           HA       ASP   1  -9.119  -7.938  -3.418
    5   1HB   ASP   1          1HB       ASP   1  -7.162  -9.304  -3.083
    6   2HB   ASP   1          2HB       ASP   1  -7.288  -9.122  -4.832
    7    H    ILE   2           H        ILE   2  -7.574  -8.091  -1.233
    8    HA   ILE   2           HA       ILE   2  -7.635  -5.531  -0.059
    9    HB   ILE   2           HB       ILE   2  -7.695  -7.731   1.078
   10   1HG1  ILE   2          1HG1      ILE   2  -6.230  -7.268   3.015
   11   2HG1  ILE   2          2HG1      ILE   2  -5.512  -5.902   2.161
   12   1HG2  ILE   2          1HG2      ILE   2  -5.626  -8.684  -0.218
   13   2HG2  ILE   2          2HG2      ILE   2  -4.639  -7.799   0.940
   14   3HG2  ILE   2          3HG2      ILE   2  -5.732  -9.071   1.510
   15   1HD1  ILE   2          1HD1      ILE   2  -8.505  -6.211   2.743
   16   2HD1  ILE   2          2HD1      ILE   2  -7.359  -5.355   3.792
   17   3HD1  ILE   2          3HD1      ILE   2  -7.672  -4.751   2.158
   18    H    CYS   3           H        CYS   3  -4.941  -7.119  -1.822
   19    HA   CYS   3           HA       CYS   3  -2.924  -5.328  -0.844
   20   1HB   CYS   3          1HB       CYS   3  -2.667  -7.519  -2.212
   21   2HB   CYS   3          2HB       CYS   3  -3.077  -6.562  -3.639
   22    H    ASP   4           H        ASP   4  -5.260  -5.185  -3.478
   23    HA   ASP   4           HA       ASP   4  -4.354  -2.635  -4.570
   24   1HB   ASP   4          1HB       ASP   4  -5.662  -4.069  -5.982
   25   2HB   ASP   4          2HB       ASP   4  -6.951  -4.190  -4.788
   26    H    ILE   5           H        ILE   5  -6.846  -3.658  -2.221
   27    HA   ILE   5           HA       ILE   5  -7.874  -1.142  -1.527
   28    HB   ILE   5           HB       ILE   5  -7.329  -3.437   0.378
   29   1HG1  ILE   5          1HG1      ILE   5  -9.713  -2.596  -1.247
   30   2HG1  ILE   5          2HG1      ILE   5  -8.821  -4.056  -1.481
   31   1HG2  ILE   5          1HG2      ILE   5  -9.102  -1.018   0.748
   32   2HG2  ILE   5          2HG2      ILE   5  -9.020  -2.426   1.835
   33   3HG2  ILE   5          3HG2      ILE   5  -7.612  -1.416   1.644
   34   1HD1  ILE   5          1HD1      ILE   5  -9.633  -4.788   0.844
   35   2HD1  ILE   5          2HD1      ILE   5 -10.720  -3.374   0.780
   36   3HD1  ILE   5          3HD1      ILE   5 -10.850  -4.642  -0.435
   37    H    ALA   6           H        ALA   6  -5.011  -2.756  -0.021
   38    HA   ALA   6           HA       ALA   6  -4.333  -0.698   1.742
   39   1HB   ALA   6          1HB       ALA   6  -2.089  -1.747   1.750
   40   2HB   ALA   6          2HB       ALA   6  -3.360  -2.991   1.771
   41   3HB   ALA   6          3HB       ALA   6  -2.498  -2.641   0.269
   42    H    ILE   7           H        ILE   7  -3.526  -0.956  -1.704
   43    HA   ILE   7           HA       ILE   7  -1.758   1.356  -1.666
   44    HB   ILE   7           HB       ILE   7  -3.038  -0.231  -3.892
   45   1HG1  ILE   7          1HG1      ILE   7  -0.130  -0.110  -2.949
   46   2HG1  ILE   7          2HG1      ILE   7  -1.272  -1.259  -2.258
   47   1HG2  ILE   7          1HG2      ILE   7  -0.895   1.943  -4.031
   48   2HG2  ILE   7          2HG2      ILE   7  -1.394   0.905  -5.381
   49   3HG2  ILE   7          3HG2      ILE   7  -2.536   2.060  -4.699
   50   1HD1  ILE   7          1HD1      ILE   7  -1.755  -2.182  -4.486
   51   2HD1  ILE   7          2HD1      ILE   7  -0.468  -1.152  -5.156
   52   3HD1  ILE   7          3HD1      ILE   7  -0.077  -2.388  -3.942
   53    H    ALA   8           H        ALA   8  -5.204   0.799  -2.544
   54    HA   ALA   8           HA       ALA   8  -5.744   3.500  -3.338
   55   1HB   ALA   8          1HB       ALA   8  -7.215   1.572  -3.810
   56   2HB   ALA   8          2HB       ALA   8  -7.605   1.442  -2.084
   57   3HB   ALA   8          3HB       ALA   8  -8.079   2.893  -2.990
   58    H    GLN   9           H        GLN   9  -5.704   1.883  -0.225
   59    HA   GLN   9           HA       GLN   9  -6.664   4.056   1.455
   60   1HB   GLN   9          1HB       GLN   9  -5.039   1.521   1.921
   61   2HB   GLN   9          2HB       GLN   9  -5.649   2.510   3.222
   62   1HG   GLN   9          1HG       GLN   9  -7.528   1.273   1.144
   63   2HG   GLN   9          2HG       GLN   9  -6.950   0.417   2.577
   64   2HE2  GLN   9          2HE2      GLN   9  -9.092   2.937   1.370
   65   1HE2  GLN   9          1HE2      GLN   9  -9.906   3.152   2.917
   66    H    CYS  10           H        CYS  10  -3.681   2.984   0.050
   67    HA   CYS  10           HA       CYS  10  -1.547   3.271   0.306
   68   1HB   CYS  10          1HB       CYS  10  -0.685   5.620   0.557
   69   2HB   CYS  10          2HB       CYS  10  -1.555   5.119  -0.868
   70    H    SER  11           H        SER  11  -1.889   1.960   2.104
   71    HA   SER  11           HA       SER  11  -0.899   3.090   4.692
   72   1HB   SER  11          1HB       SER  11  -3.294   2.588   4.962
   73   2HB   SER  11          2HB       SER  11  -3.074   1.014   4.202
   74    HG   SER  11           HG       SER  11  -1.894   1.913   6.631
   75    H    LEU  12           H        LEU  12   1.101   2.143   5.048
   76    HA   LEU  12           HA       LEU  12   1.913  -0.232   3.538
   77   1HB   LEU  12          1HB       LEU  12   3.323   1.193   5.832
   78   2HB   LEU  12          2HB       LEU  12   3.903  -0.187   4.904
   79    HG   LEU  12           HG       LEU  12   3.479   1.403   2.802
   80   1HD1  LEU  12          1HD1      LEU  12   4.024   3.391   5.031
   81   2HD1  LEU  12          2HD1      LEU  12   4.047   3.683   3.270
   82   3HD1  LEU  12          3HD1      LEU  12   2.530   3.275   4.075
   83   1HD2  LEU  12          1HD2      LEU  12   5.834   1.461   4.711
   84   2HD2  LEU  12          2HD2      LEU  12   5.638   0.495   3.249
   85   3HD2  LEU  12          3HD2      LEU  12   5.865   2.235   3.107
   86    H    THR  13           H        THR  13   0.728   0.643   6.785
   87    HA   THR  13           HA       THR  13   1.050  -1.895   7.961
   88    HB   THR  13           HB       THR  13  -1.173   0.128   8.466
   89    HG1  THR  13           HG1      THR  13   1.006   0.933   8.566
   90   1HG2  THR  13          1HG2      THR  13   0.062  -2.007  10.267
   91   2HG2  THR  13          2HG2      THR  13  -1.171  -0.819  10.756
   92   3HG2  THR  13          3HG2      THR  13  -1.560  -2.074   9.576
   93    H    LEU  14           H        LEU  14  -1.733  -0.646   6.011
   94    HA   LEU  14           HA       LEU  14  -3.092  -3.172   6.174
   95   1HB   LEU  14          1HB       LEU  14  -3.841  -0.699   5.546
   96   2HB   LEU  14          2HB       LEU  14  -3.571  -1.252   3.898
   97    HG   LEU  14           HG       LEU  14  -5.220  -2.898   5.844
   98   1HD1  LEU  14          1HD1      LEU  14  -6.156  -0.304   4.577
   99   2HD1  LEU  14          2HD1      LEU  14  -7.230  -1.505   5.328
  100   3HD1  LEU  14          3HD1      LEU  14  -6.024  -0.662   6.307
  101   1HD2  LEU  14          1HD2      LEU  14  -5.533  -2.205   2.894
  102   2HD2  LEU  14          2HD2      LEU  14  -4.889  -3.733   3.549
  103   3HD2  LEU  14          3HD2      LEU  14  -6.582  -3.277   3.819
  104    H    CYS  15           H        CYS  15  -0.389  -2.057   4.256
  105    HA   CYS  15           HA       CYS  15  -0.712  -4.053   2.162
  106   1HB   CYS  15          1HB       CYS  15   1.689  -2.435   3.047
  107   2HB   CYS  15          2HB       CYS  15   1.851  -3.788   1.969
  108    H    GLN  16           H        GLN  16   0.217  -4.280   5.547
  109    HA   GLN  16           HA       GLN  16   1.741  -6.730   5.178
  110   1HB   GLN  16          1HB       GLN  16   0.252  -5.932   7.663
  111   2HB   GLN  16          2HB       GLN  16   1.624  -7.034   7.490
  112   1HG   GLN  16          1HG       GLN  16   1.633  -4.003   7.347
  113   2HG   GLN  16          2HG       GLN  16   2.452  -5.059   8.483
  114   2HE2  GLN  16          2HE2      GLN  16   2.657  -3.450   5.417
  115   1HE2  GLN  16          1HE2      GLN  16   4.310  -3.932   5.060
  116    H    ASP  17           H        ASP  17  -1.635  -6.014   4.773
  117    HA   ASP  17           HA       ASP  17  -2.494  -8.809   5.193
  118   1HB   ASP  17          1HB       ASP  17  -3.903  -6.495   3.814
  119   2HB   ASP  17          2HB       ASP  17  -4.545  -8.110   4.113
  120    H    CYS  18           H        CYS  18  -0.952  -6.890   2.686
  121    HA   CYS  18           HA       CYS  18  -1.948  -8.462   0.425
  122   1HB   CYS  18          1HB       CYS  18  -1.206  -6.143   0.091
  123   2HB   CYS  18          2HB       CYS  18   0.425  -6.558   0.599
  124    H    GLU  19           H        GLU  19  -1.048 -10.277  -0.393
  125    HA   GLU  19           HA       GLU  19   0.774 -11.936   0.818
  126   1HB   GLU  19          1HB       GLU  19  -0.540 -12.766  -0.908
  127   2HB   GLU  19          2HB       GLU  19   0.029 -11.545  -2.043
  128   1HG   GLU  19          1HG       GLU  19   0.921 -13.846  -2.463
  129   2HG   GLU  19          2HG       GLU  19   2.176 -12.623  -2.279
  130    H    ASN  20           H        ASN  20   1.680  -9.820  -2.021
  131    HA   ASN  20           HA       ASN  20   4.478 -10.023  -1.187
  132   1HB   ASN  20          1HB       ASN  20   4.952  -8.904  -3.201
  133   2HB   ASN  20          2HB       ASN  20   4.178 -10.458  -3.432
  134   2HD2  ASN  20          2HD2      ASN  20   2.580  -7.188  -2.928
  135   1HD2  ASN  20          1HD2      ASN  20   1.773  -7.301  -4.499
  136    H    THR  21           H        THR  21   3.611  -8.984   0.840
  137    HA   THR  21           HA       THR  21   2.918  -6.507   1.320
  138    HB   THR  21           HB       THR  21   5.217  -7.863   2.646
  139    HG1  THR  21           HG1      THR  21   2.439  -8.338   2.633
  140   1HG2  THR  21          1HG2      THR  21   3.144  -5.901   3.654
  141   2HG2  THR  21          2HG2      THR  21   4.272  -6.824   4.682
  142   3HG2  THR  21          3HG2      THR  21   4.876  -5.632   3.509
  143    HA   PRO  22           HA       PRO  22   6.983  -4.191   0.850
  144   1HB   PRO  22          1HB       PRO  22   9.140  -5.196  -0.582
  145   2HB   PRO  22          2HB       PRO  22   8.880  -5.498   1.163
  146   1HG   PRO  22          1HG       PRO  22   8.091  -7.297  -1.154
  147   2HG   PRO  22          2HG       PRO  22   9.019  -7.737   0.309
  148   1HD   PRO  22          1HD       PRO  22   6.381  -8.207   0.228
  149   2HD   PRO  22          2HD       PRO  22   7.120  -7.509   1.699
  150    H    ILE  23           H        ILE  23   6.039  -6.177  -1.950
  151    HA   ILE  23           HA       ILE  23   6.562  -4.241  -4.013
  152    HB   ILE  23           HB       ILE  23   4.826  -6.624  -3.721
  153   1HG1  ILE  23          1HG1      ILE  23   7.357  -6.712  -4.070
  154   2HG1  ILE  23          2HG1      ILE  23   6.299  -7.641  -5.119
  155   1HG2  ILE  23          1HG2      ILE  23   4.787  -4.744  -6.088
  156   2HG2  ILE  23          2HG2      ILE  23   4.258  -6.444  -6.146
  157   3HG2  ILE  23          3HG2      ILE  23   3.416  -5.300  -5.103
  158   1HD1  ILE  23          1HD1      ILE  23   7.506  -4.979  -5.914
  159   2HD1  ILE  23          2HD1      ILE  23   8.081  -6.599  -6.389
  160   3HD1  ILE  23          3HD1      ILE  23   6.495  -6.035  -6.921
  161    H    CYS  24           H        CYS  24   3.841  -5.053  -1.874
  162    HA   CYS  24           HA       CYS  24   1.985  -3.111  -2.885
  163   1HB   CYS  24          1HB       CYS  24   1.339  -5.046  -1.648
  164   2HB   CYS  24          2HB       CYS  24   2.133  -4.502  -0.186
  165    H    GLU  25           H        GLU  25   4.282  -3.065  -0.109
  166    HA   GLU  25           HA       GLU  25   3.831  -0.454   0.802
  167   1HB   GLU  25          1HB       GLU  25   6.196  -2.327   0.735
  168   2HB   GLU  25          2HB       GLU  25   6.382  -0.811   1.484
  169   1HG   GLU  25          1HG       GLU  25   4.268  -1.374   2.892
  170   2HG   GLU  25          2HG       GLU  25   4.414  -3.010   2.269
  171    H    LEU  26           H        LEU  26   6.020  -1.626  -1.797
  172    HA   LEU  26           HA       LEU  26   7.173   0.854  -2.483
  173   1HB   LEU  26          1HB       LEU  26   7.856  -1.387  -3.212
  174   2HB   LEU  26          2HB       LEU  26   6.537  -1.398  -4.382
  175    HG   LEU  26           HG       LEU  26   8.821  -0.783  -5.095
  176   1HD1  LEU  26          1HD1      LEU  26   6.832  -0.325  -6.506
  177   2HD1  LEU  26          2HD1      LEU  26   6.752   1.316  -5.833
  178   3HD1  LEU  26          3HD1      LEU  26   8.152   0.819  -6.794
  179   1HD2  LEU  26          1HD2      LEU  26   9.502   0.679  -3.298
  180   2HD2  LEU  26          2HD2      LEU  26   9.771   1.376  -4.905
  181   3HD2  LEU  26          3HD2      LEU  26   8.423   1.952  -3.913
  182    H    ALA  27           H        ALA  27   4.230  -0.731  -3.812
  183    HA   ALA  27           HA       ALA  27   3.534   1.430  -5.530
  184   1HB   ALA  27          1HB       ALA  27   1.823  -0.746  -4.300
  185   2HB   ALA  27          2HB       ALA  27   1.266   0.412  -5.540
  186   3HB   ALA  27          3HB       ALA  27   2.592  -0.698  -5.907
  187    H    VAL  28           H        VAL  28   2.580   0.803  -2.111
  188    HA   VAL  28           HA       VAL  28   0.815   2.963  -1.714
  189    HB   VAL  28           HB       VAL  28   2.750   1.605   0.104
  190   1HG1  VAL  28          1HG1      VAL  28   0.852   3.868   0.764
  191   2HG1  VAL  28          2HG1      VAL  28   1.470   2.740   1.981
  192   3HG1  VAL  28          3HG1      VAL  28   2.595   3.776   1.101
  193   1HG2  VAL  28          1HG2      VAL  28   0.761   0.331  -0.646
  194   2HG2  VAL  28          2HG2      VAL  28   0.719   0.701   1.101
  195   3HG2  VAL  28          3HG2      VAL  28  -0.275   1.612  -0.028
  196    H    LYS  29           H        LYS  29   4.435   2.862  -1.362
  197    HA   LYS  29           HA       LYS  29   4.608   5.602  -0.676
  198   1HB   LYS  29          1HB       LYS  29   6.602   3.599  -1.817
  199   2HB   LYS  29          2HB       LYS  29   6.999   5.209  -1.218
  200   1HG   LYS  29          1HG       LYS  29   6.232   4.642   1.034
  201   2HG   LYS  29          2HG       LYS  29   5.581   3.120   0.505
  202   1HD   LYS  29          1HD       LYS  29   7.731   2.864   1.677
  203   2HD   LYS  29          2HD       LYS  29   7.753   2.206   0.044
  204   1HE   LYS  29          1HE       LYS  29   9.832   3.422   0.585
  205   2HE   LYS  29          2HE       LYS  29   8.999   4.103  -0.807
  206   1HZ   LYS  29          1HZ       LYS  29   8.909   5.174   1.949
  207   2HZ   LYS  29          2HZ       LYS  29   9.883   5.721   0.779
  208   3HZ   LYS  29          3HZ       LYS  29   8.277   5.946   0.609
  209    H    GLY  30           H        GLY  30   4.326   3.954  -3.735
  210   1HA   GLY  30          1HA       GLY  30   4.493   4.700  -5.886
  211   2HA   GLY  30          2HA       GLY  30   5.213   6.223  -5.338
  212    H    SER  31           H        SER  31   2.097   5.016  -4.030
  213    HA   SER  31           HA       SER  31   0.559   6.549  -6.024
  214   1HB   SER  31          1HB       SER  31  -1.364   5.698  -4.497
  215   2HB   SER  31          2HB       SER  31  -0.495   4.543  -5.518
  216    HG   SER  31           HG       SER  31   0.627   3.821  -3.773
  217    H    CYS  32           H        CYS  32   1.335   6.649  -2.524
  218    HA   CYS  32           HA       CYS  32   0.325   9.478  -2.442
  219   1HB   CYS  32          1HB       CYS  32   0.203   7.304  -0.376
  220   2HB   CYS  32          2HB       CYS  32  -0.240   8.965  -0.028
  221    HA   PRO  33           HA       PRO  33   4.524  10.100  -1.086
  222   1HB   PRO  33          1HB       PRO  33   4.319  12.522   0.186
  223   2HB   PRO  33          2HB       PRO  33   4.190  12.340  -1.584
  224   1HG   PRO  33          1HG       PRO  33   1.944  12.520   0.457
  225   2HG   PRO  33          2HG       PRO  33   2.094  13.457  -1.061
  226   1HD   PRO  33          1HD       PRO  33   0.587  11.207  -0.889
  227   2HD   PRO  33          2HD       PRO  33   1.512  11.586  -2.373
  228    HA   PRO  34           HA       PRO  34   4.576   9.124   3.371
  229   1HB   PRO  34          1HB       PRO  34   6.760  10.594   4.269
  230   2HB   PRO  34          2HB       PRO  34   6.943   9.082   3.386
  231   1HG   PRO  34          1HG       PRO  34   7.081  11.870   2.277
  232   2HG   PRO  34          2HG       PRO  34   8.180  10.500   1.960
  233   1HD   PRO  34          1HD       PRO  34   6.194  11.151   0.220
  234   2HD   PRO  34          2HD       PRO  34   6.598   9.452   0.536
  235    HA   PRO  35           HA       PRO  35   4.364   9.341   5.572
  236   1HB   PRO  35          1HB       PRO  35   2.496   9.723   7.496
  237   2HB   PRO  35          2HB       PRO  35   4.048  10.602   7.483
  238   1HG   PRO  35          1HG       PRO  35   1.332  11.546   6.529
  239   2HG   PRO  35          2HG       PRO  35   2.520  12.421   7.545
  240   1HD   PRO  35          1HD       PRO  35   2.271  12.762   4.795
  241   2HD   PRO  35          2HD       PRO  35   3.794  13.015   5.692
  242    H    TRP  36           H        TRP  36   2.737   7.633   6.292
  243    HA   TRP  36           HA       TRP  36   0.319   7.480   4.529
  244   1HB   TRP  36          1HB       TRP  36   2.227   5.269   5.329
  245   2HB   TRP  36          2HB       TRP  36   0.763   5.066   4.366
  246    HD1  TRP  36           HD1      TRP  36   0.736   6.302   1.956
  247    HE1  TRP  36           HE1      TRP  36   2.615   6.926   0.305
  248    HE3  TRP  36           HE3      TRP  36   4.711   5.770   5.066
  249    HZ2  TRP  36           HZ2      TRP  36   5.470   7.385   0.427
  250    HZ3  TRP  36           HZ3      TRP  36   7.010   6.360   4.319
  251    HH2  TRP  36           HH2      TRP  36   7.383   7.220   2.022
  252    H    SER  37           H        SER  37  -1.091   5.616   5.463
  253    HA   SER  37           HA       SER  37  -1.694   6.296   8.287
  254   1HB   SER  37          1HB       SER  37  -3.129   4.479   6.314
  255   2HB   SER  37          2HB       SER  37  -3.725   5.006   7.891
  256    HG   SER  37           HG       SER  37  -2.891   6.895   5.937

  No H/Q in entry =         256