*HEADER    PHEROMONE                               22-MAR-96   1ERY      
*TITLE     PHEROMONE ER-11, NMR                                          
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: PHEROMONE ER-11;                                   
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: EUPLOMONE R11                                       
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: EUPLOTES RAIKOVI                        
*KEYWDS    PHEROMONE                                                     
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    P.LUGINBUHL,J.WU,O.ZERBE,C.ORTENZI,P.LUPORINI,K.WUTHRICH      
*REVDAT   1   12-OCT-04 1ERY    0   

REMARK   1                                                              
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE MATING PHEROMONE  
REMARK   1 ER-11 BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY IN SOLUTION. 
REMARK   1 THE DIFFERENT KINDS OF DATA, TOGETHER WITH THE CORRESPONDING 
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE.
REMARK   1                                                              
REMARK   1 RECORD CONTENT                                     UNIT      
REMARK   1 ------ ------------------------------------------- --------- 
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   
REMARK   1        AN ALLOWED INTERVAL DETERMINED FROM J-
REMARK   1        COUPLING CONSTANTS AND NOES                
REMARK   1                                                              
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT FOR THE AMINO ACID       
REMARK   1 SEQUENCE) FOR THE FINAL REFINEMENT WITH OPAL IS GIVEN      
REMARK   1 IN THE RECORDS NOEUPP, AND ANGLE. ANGLE CONSTRAINTS THAT
REMARK   1 WERE NOT USED IN THE REFINEMENT ARE NOT LISTED. THE NOE
REMARK   1 UPPER LIMITS AND TORSION ANGLE CONSTRAINTS ARE GIVEN IN
REMARK   1 THE FORMAT USED BY OPAL.        

SHIFTS                       
resnum atomname shift
    1  CA       52.776
    1  HA        4.155
    1  CB       39.792
    1  HB3       2.835
    1  HB2       2.984
    2  HN        9.165
    2  CA       59.225
    2  HA        3.882
    2  CB       28.040
    2  HB2       1.433
    2  HB3       1.013
    2  QG        1.937
    3  HN        8.175
    3  CA       57.582
    3  HA        4.203
    3  CB       39.837
    3  HB2       2.994
    3  HB3       3.253
    4  HN        7.951
    4  CA       54.982
    4  HA        4.069
    4  QB        1.388
    4  CB       17.694
    5  HN        7.993
    5  CA       55.225
    5  HA        4.352
    5  CB       37.494
    5  QB        2.766
    5  HD22      6.807
    5  HD21      7.597
    6  HN        7.825
    6  CA       55.453
    6  HA        3.866
    6  QB        1.631
    6  CB       17.874
    7  HN        6.970
    7  CA       53.932
    7  HA        3.899
    7  QB        1.521
    7  CB       17.814
    8  HN        7.667
    8  CA       54.312
    8  HA        4.089
    8  QB        1.489
    8  CB       18.007
    9  HN        7.601
    9  CA       58.480
    9  HA        4.254
    9  CB       28.910
    9  HB2       2.340
    9  HB3       1.924
    9  CG       35.569
    9  QG        2.414
    9  QE2       6.793
   10  HN        8.150
   10  CA       55.254
   10  HA        4.248
   10  CB       38.506
   10  HB2       3.280
   10  HB3       3.599
   11  HN        7.487
   11  CA       55.172
   11  HA        4.975
   11  CB       63.322
   11  HB2       3.485
   11  HB3       3.794
   12  HN        8.294
   12  CA       63.268
   12  HA        3.458
   12  CB       36.550
   12  HB        2.108
   12  QG2       0.835
   12  CG2      17.409
   12  CG1      28.423
   12  HG12      1.587
   12  HG13      1.352
   12  QD1       0.598
   12  CD1      10.632
   13  HN        8.963
   13  CA       66.899
   13  HA        3.858
   13  CB       67.911
   13  HB        3.904
   13  QG2       1.127
   13  CG2      21.512
   14  HN        8.391
   14  CA       57.005
   14  HA        4.081
   14  CB       41.037
   14  HB2       1.825
   14  HB3       1.526
   14  CG       26.846
   14  HG        1.812
   14  QD1       0.957
   14  QD2       0.850
   14  CD1      25.400
   14  CD2      22.269
   15  HN        8.364
   15  CA       56.977
   15  HA        4.524
   15  CB       35.546
   15  HB2       3.321
   15  HB3       2.870
   16  HN        7.701
   16  CA       56.092
   16  HA        4.231
   16  CB       40.148
   16  HB3       2.816
   16  HB2       2.543
   16  HD21      6.873
   16  HD22      7.287
   17  HN        7.561
   17  CA       60.031
   17  HA        4.047
   17  CB       43.077
   17  HB3       0.964
   17  HB2       1.230
   17  CG       26.495
   17  HG        1.078
   17  QD1       0.535
   17  QD2       0.691
   17  CD1      24.069
   17  CD2      23.742
   18  HN        7.568
   18  CA       58.782
   18  HA        4.967
   18  CB       41.258
   18  HB2       2.535
   18  HB3       3.063
   18  QD        7.097
   18  QE        6.793
   19  HN        7.675
   19  CA       58.173
   19  HA        4.598
   19  CB       42.987
   19  HB2       2.688
   19  HB3       3.230
   20  HN        9.417
   20  CA       45.655
   20  HA1       3.609
   20  HA2       4.191
   21  CD       51.473
   21  CA       64.276
   21  HA        4.541
   21  CB       32.212
   21  QB        2.406
   21  CG       26.973
   21  HG2       2.032
   21  HG3       2.086
   21  HD2       4.084
   21  HD3       3.812
   22  HN        7.926
   22  HA        4.727
   22  CB       41.557
   22  QB        1.868
   22  CG       27.721
   22  HG        1.606
   22  QD1       0.830
   22  QD2       0.953
   22  CD1      24.345
   22  CD2      25.409
   23  HN        7.388
   23  CA       67.455
   23  HA        3.122
   23  CB       38.627
   23  HB        1.642
   23  QG2       0.717
   23  CG2      17.219
   23  CG1      29.956
   23  HG12      1.087
   23  HG13      1.937
   23  QD1       0.956
   23  CD1      13.874
   24  HN        8.647
   24  HA        3.981
   24  QB        2.019
   24  QG        2.298
   25  HN        7.420
   25  CA       63.263
   25  HA        3.814
   25  CB       37.364
   25  HB        1.861
   25  QG2       0.881
   25  CG2      17.249
   25  CG1      28.878
   25  HG12      1.483
   25  HG13      1.287
   25  QD1       0.825
   25  CD1      12.308
   26  HN        7.941
   26  CA       57.811
   26  HA        4.109
   26  CB       36.115
   26  HB2       2.899
   26  HB3       3.269
   27  HN        8.609
   27  CA       60.047
   27  HA        3.523
   27  HB2       2.193
   27  HB3       2.736
   27  HG2       1.976
   27  HG3       1.879
   28  HN        8.337
   28  CA       57.993
   28  HA        3.976
   28  CB       41.632
   28  HB2       1.738
   28  HB3       1.565
   28  CG       26.780
   28  HG        1.678
   28  QD1       0.811
   28  QD2       0.821
   28  CD1      24.063
   28  CD2      22.625
   29  HN        7.975
   29  CA       67.233
   29  HA        3.750
   29  CB       68.183
   29  HB        4.411
   29  QG2       1.148
   29  CG2      21.512
   30  HN        8.084
   30  CA       66.492
   30  HA        3.645
   30  CB       35.999
   30  HB        1.952
   30  QG2       0.980
   30  QG1       0.145
   30  CG1      24.044
   30  CG2      20.463
   31  HN        8.016
   31  CA       58.239
   31  HA        3.806
   31  CB       32.498
   31  HB3       2.407
   31  HB2       2.023
   31  CG       34.123
   31  HG2       2.524
   31  HG3       2.313
   31  QE        2.057
   31  CE       17.021
   32  HN        7.904
   32  CA       60.685
   32  HA        4.193
   32  CB       29.456
   32  HB2       2.013
   32  HB3       2.114
   32  CG       34.351
   32  HG2       2.343
   32  HG3       2.490
   33  HN        7.675
   33  CA       53.098
   33  HA        4.882
   33  CB       41.250
   33  QB        2.825
   33  HD21      7.556
   33  HD22      7.115
   34  HN        8.215
   34  CA       56.262
   34  HA        5.082
   34  CB       46.018
   34  HB3       3.211
   34  HB2       3.682
   35  HN        8.734
   35  CA       54.235
   35  HA        4.880
   35  CB       30.514
   35  HB2       2.049
   35  HB3       1.901
   35  QG        2.455
   36  CD       50.333
   36  CA       61.450
   36  HA        3.325
   36  CB       29.925
   36  HB2       1.435
   36  HB3       1.526
   36  CG       26.682
   36  QG        1.832
   36  HD2       3.773
   36  HD3       3.701
   37  CD       50.349
   37  CA       61.689
   37  HA        4.088
   37  CB       34.370
   37  HB2       2.020
   37  HB3       2.211
   37  CG       24.590
   37  QG        1.837
   37  HD2       3.367
   37  HD3       3.523
   38  HN        8.330
   38  CA       55.114
   38  HA        5.167
   38  CB       39.266
   38  HB2       3.467
   38  HB3       2.967
   38  QE        7.346
   38  QD        7.099
   39  HN        8.298
   39  CA       59.931
   39  HA        4.475
   39  CB       64.615
   39  HB2       3.967
   39  HB3       3.995

NOEUPP
  1 ASP- 
         HA      1 ASP- HB2     3.00
         HA      1 ASP- HB3     3.00
         HA      2 GLU- HN      3.00
         HA      2 GLU- HA      4.80
         HB2     2 GLU- HN      3.70
         HB2     4 ALA  QB      6.00
         HB3     2 GLU- HN      3.70
         HB3     4 ALA  QB      6.00
         QB      2 GLU- HN      3.39
         QB      3 CYSS HN      4.28
         QB      3 CYSS HB3     4.28
         QB      4 ALA  HN      4.88
         QB      4 ALA  QB      5.79
  2 GLU- 
         HN      2 GLU- HB2     4.00
         HN      2 GLU- HB3     4.00
         HN      2 GLU- QB      3.43
         HN      2 GLU- QG      4.70
         HN      3 CYSS HN      3.20
         HA      5 ASN  HN      3.20
         HA      5 ASN  QB      3.60
         HA      5 ASN  HD21    5.00
         HA      5 ASN  HD22    5.00
         HA      5 ASN  QD2     4.27
         HB2    18 TYR  HB2     5.95
         HB2    18 TYR  HB3     5.95
         HB2    18 TYR  QD      7.00
         HB3    18 TYR  HB2     5.95
         HB3    18 TYR  HB3     5.95
         HB3    18 TYR  QD      7.00
         QB     18 TYR  QB      4.80
         QB     18 TYR  QD      6.84
         QG     18 TYR  QD      8.00
         QG     18 TYR  QE      8.00
  3 CYSS 
         HN      3 CYSS HB2     3.00
         HN      3 CYSS HB3     2.70
         HN      4 ALA  HN      2.90
         HN     18 TYR  QB      5.88
         HA      3 CYSS HB2     2.80
         HA      6 ALA  HN      3.50
         HA      6 ALA  QB      3.50
         HA     18 TYR  QB      5.58
         HA     19 CYSS HN      4.90
         HB2     4 ALA  HN      4.10
         HB2    19 CYSS HA      3.40
         HB2    19 CYSS QB      5.08
         HB3     4 ALA  HN      2.80
         HB3    19 CYSS HA      4.80
         HB3    19 CYSS QB      5.88
         HB3    22 LEU  QQD     7.57
  4 ALA  
         HN      4 ALA  HA      2.80
         HN      4 ALA  QB      3.40
         HA      7 ALA  HN      3.50
         QB      5 ASN  HN      3.40
         QB      5 ASN  HA      5.80
         QB      5 ASN  QB      7.00
  5 ASN  
         HN      5 ASN  QB      3.50
         HN      6 ALA  HN      2.80
         HA      8 ALA  HN      3.20
         HA      8 ALA  QB      3.40
         QB      6 ALA  HN      4.30
         QB      6 ALA  QB      7.00
         QB      8 ALA  QB      7.00
  6 ALA  
         HN      6 ALA  HA      2.90
         HN      6 ALA  QB      3.40
         HN      7 ALA  HN      3.00
         HN     14 LEU  HB3     5.00
         HA      7 ALA  HN      3.60
         HA      9 GLN  HN      3.30
         HA      9 GLN  HB3     2.80
         HA     14 LEU  HB2     3.60
         HA     14 LEU  QQD     7.37
         QB      7 ALA  HN      3.40
         QB     14 LEU  HN      6.00
         QB     14 LEU  HA      6.00
         QB     14 LEU  QQD     8.57
         QB     15 CYSS HN      4.20
         QB     15 CYSS HA      4.00
         QB     18 TYR  QB      6.88
         QB     18 TYR  QD      7.10
  7 ALA  
         HN      7 ALA  QB      3.40
         HN      8 ALA  HN      2.80
         HA     10 CYSS HN      3.40
         HA     11 SER  HN      3.60
         HA     30 VAL  QQG     4.96
         QB      8 ALA  HN      4.40
         QB     29 THR  HB      4.10
  8 ALA  
         HN      8 ALA  QB      3.40
         HA     10 CYSS HN      3.90
         QB      9 GLN  HN      3.50
  9 GLN  
         HN      9 GLN  HB2     3.10
         HN      9 GLN  HB3     2.70
         HN      9 GLN  QG      5.40
         HN     10 CYSS HN      2.80
         HA      9 GLN  HB2     2.60
         HB2    14 LEU  QQD     6.77
         HB3    10 CYSS HN      3.50
         HB3    14 LEU  QQD     7.17
         QG     14 LEU  QQD     8.57
         QE2    14 LEU  HB3     6.00
         QE2    14 LEU  QD1     5.90
         QE2    14 LEU  QD2     5.90
         QE2    14 LEU  QQD     5.14
 10 CYSS 
         HN     10 CYSS HA      2.50
         HN     11 SER  HN      3.20
         HN     30 VAL  QQG     5.86
         HA     11 SER  HN      3.00
         HA     30 VAL  QG1     3.90
         HA     30 VAL  QG2     3.90
         HA     30 VAL  QQG     3.47
         QB     30 VAL  QQG     7.24
         QB     34 CYSS QB      5.25
         QB     38 PHE  QD      7.88
 11 SER  
         HN     11 SER  HB2     3.30
         HN     11 SER  HB3     2.80
         HN     30 VAL  QQG     6.06
         HA     11 SER  HB2     2.80
         HA     12 ILE  HN      2.60
         HA     38 PHE  HN      3.10
         HB2    14 LEU  HN      4.00
         HB2    14 LEU  HB2     3.80
         HB2    14 LEU  HG      5.00
         HB2    14 LEU  QQD     5.57
         HB3    14 LEU  HN      3.10
         HB3    14 LEU  HB2     2.50
         HB3    14 LEU  HB3     3.80
         HB3    14 LEU  QQD     5.47
 12 ILE  
         HN     12 ILE  HA      2.90
         HN     12 ILE  HB      2.90
         HN     12 ILE  QG1     5.08
         HN     13 THR  HN      3.10
         HN     37 PRO  QB      5.88
         HN     38 PHE  HB2     4.60
         HN     38 PHE  HB3     3.90
         HA     12 ILE  QG2     3.40
         HA     12 ILE  HG12    3.90
         HA     12 ILE  HG13    3.90
         HA     12 ILE  QG1     3.28
         HA     12 ILE  QD1     3.40
         HA     15 CYSS HN      3.20
         HA     15 CYSS QB      3.98
         HA     30 VAL  QG1     6.00
         HA     30 VAL  QG2     6.00
         HA     30 VAL  QQG     5.54
         HB     13 THR  HN      3.00
         HB     38 PHE  HN      3.40
         QG2    13 THR  HN      4.70
         QG2    13 THR  HA      4.80
         QG2    15 CYSS QB      6.88
         QG2    16 ASN  HD21    4.80
         QG2    16 ASN  HD22    4.80
         QG2    16 ASN  QD2     4.29
         QG2    27 GLU- HA      6.00
         QG2    27 GLU- QG      5.98
         HG12   38 PHE  QD      7.00
         HG13   38 PHE  QD      7.00
         QG1    30 VAL  QQG     8.14
         QG1    38 PHE  HN      4.68
         QG1    38 PHE  HB3     5.88
         QD1    27 GLU- HA      3.40
         QD1    27 GLU- QB      6.68
         QD1    27 GLU- HG2     4.50
         QD1    27 GLU- HG3     4.50
         QD1    27 GLU- QG      3.98
         QD1    30 VAL  HB      3.60
         QD1    30 VAL  QQG     6.56
         QD1    38 PHE  HB3     6.00
         QD1    38 PHE  QD      7.50
 13 THR  
         HN     13 THR  HB      2.80
         HN     13 THR  QG2     4.80
         HN     14 LEU  HN      3.20
         HA     13 THR  QG2     3.40
         HA     16 ASN  HN      4.00
         HA     16 ASN  QB      4.60
         HA     16 ASN  QD2     5.87
         HB     14 LEU  HN      2.90
         QG2    14 LEU  HN      5.10
         QG2    14 LEU  HA      6.00
         QG2    17 LEU  QQD     7.27
 14 LEU  
         HN     14 LEU  HB2     2.60
         HN     14 LEU  HB3     3.80
         HN     14 LEU  HG      3.20
         HN     14 LEU  QD1     5.40
         HN     14 LEU  QD2     5.40
         HA     14 LEU  HB3     2.50
         HA     14 LEU  HG      3.90
         HA     14 LEU  QD1     4.40
         HA     14 LEU  QD2     4.40
         HA     14 LEU  QQD     3.61
         HA     15 CYSS HN      3.50
         HA     17 LEU  HB2     2.60
         HA     17 LEU  HB3     2.70
         HA     17 LEU  QQD     7.57
         HB2    14 LEU  QD1     3.50
         HB2    14 LEU  QD2     3.50
         HB2    15 CYSS HN      3.20
         HB2    38 PHE  QD      7.00
         HB2    38 PHE  QE      7.00
         HB3    14 LEU  QD1     3.40
         HB3    14 LEU  QD2     3.40
         QQD    38 PHE  QD      9.07
 15 CYSS 
         HN     15 CYSS QB      3.72
         HN     16 ASN  HN      3.20
         HA     26 CYSS HB3     5.00
         HB2    16 ASN  HN      4.00
         HB3    16 ASN  HN      4.00
         QB     16 ASN  HN      3.34
         QB     16 ASN  QD2     6.74
         QB     23 ILE  QG2     6.28
 16 ASN  
         HN     16 ASN  QB      3.50
         HN     16 ASN  HD21    5.00
         HN     16 ASN  HD22    5.00
         HN     16 ASN  QD2     4.27
         HA     19 CYSS HN      3.40
         HA     23 ILE  QG2     4.20
         HA     23 ILE  HG12    4.00
         HA     23 ILE  HG13    4.00
         HA     23 ILE  QG1     3.30
         HA     23 ILE  QD1     3.40
         QB     17 LEU  HN      4.20
         QB     23 ILE  QD1     7.00
         HD21   23 ILE  QG2     6.00
         HD22   23 ILE  QG2     6.00
 17 LEU  
         HN     17 LEU  HB2     2.70
         HN     17 LEU  HB3     3.20
         HN     17 LEU  HG      4.40
         HN     17 LEU  QD1     6.00
         HN     17 LEU  QD2     6.00
         HN     23 ILE  QG1     5.88
         HA     17 LEU  HB2     2.80
         HA     17 LEU  HB3     3.00
         HA     17 LEU  QD1     3.80
         HA     17 LEU  QD2     3.80
         HA     17 LEU  QQD     3.30
         HB2    18 TYR  QD      7.00
         HB3    18 TYR  HN      3.10
         HB3    18 TYR  QD      6.60
         QD1    18 TYR  QE      8.00
         QD2    18 TYR  QE      8.00
         QQD    18 TYR  QE      7.64
 18 TYR  
         HN     18 TYR  HB2     3.70
         HN     18 TYR  HB3     3.70
         HN     18 TYR  QB      3.12
 19 CYSS 
         HN     19 CYSS HB2     3.50
         HN     19 CYSS HB3     3.50
         HN     19 CYSS QB      3.09
         HN     20 GLY  HN      3.10
         HN     23 ILE  HG12    5.00
         HN     23 ILE  HG13    5.00
         HB2    23 ILE  HN      3.60
         HB2    23 ILE  HG12    5.75
         HB2    23 ILE  HG13    5.75
         HB3    23 ILE  HN      3.60
         HB3    23 ILE  HG12    5.75
         HB3    23 ILE  HG13    5.75
         QB     20 GLY  HN      5.28
         QB     22 LEU  HN      4.28
         QB     22 LEU  QB      4.98
         QB     23 ILE  HN      3.39
         QB     23 ILE  HA      3.48
         QB     23 ILE  QG2     6.88
         QB     23 ILE  QG1     4.75
         QB     23 ILE  QD1     6.48
 20 GLY  
         HN     20 GLY  HA1     2.80
         HN     20 GLY  HA2     2.80
         HN     20 GLY  QA      2.51
         HN     23 ILE  QG1     5.08
         HN     23 ILE  QD1     4.50
         QA     21 PRO  HD3     3.11
         QA     23 ILE  QD1     5.58
 21 PRO  
         HA     23 ILE  HN      4.60
         HA     24 GLU- QB      5.00
         HD2    22 LEU  HN      4.60
         HD2    22 LEU  QD1     5.80
         HD2    22 LEU  QD2     5.80
         HD2    22 LEU  QQD     5.13
         HD3    22 LEU  HN      5.00
 22 LEU  
         HN     22 LEU  QB      3.30
         HN     22 LEU  HG      3.40
         HN     22 LEU  QD1     6.00
         HN     22 LEU  QD2     6.00
         HN     22 LEU  QQD     5.49
         HN     23 ILE  HN      2.80
         QB     23 ILE  HN      4.80
 23 ILE  
         HN     23 ILE  HA      2.90
         HN     23 ILE  HB      2.60
         HN     23 ILE  QG2     4.40
         HN     23 ILE  HG12    4.20
         HN     23 ILE  HG13    4.20
         HN     23 ILE  QG1     3.38
         HN     23 ILE  QD1     5.10
         HN     24 GLU- HN      3.20
         HA     23 ILE  QG2     3.50
         HA     23 ILE  HG12    3.20
         HA     23 ILE  HG13    3.20
         HA     23 ILE  QG1     2.93
         HA     26 CYSS HN      3.50
         HA     27 GLU- HN      4.10
         HB     24 GLU- HN      2.90
         HB     24 GLU- HA      4.80
         QG2    24 GLU- HN      4.40
         QG2    24 GLU- HA      5.40
         QG2    24 GLU- QG      7.00
         QG2    26 CYSS HB3     6.00
         QG2    27 GLU- HN      6.00
         QG2    27 GLU- QB      4.68
 24 GLU- 
         HN     24 GLU- QB      3.30
         HN     24 GLU- QG      5.40
         HN     25 ILE  HN      3.00
         HA     27 GLU- HN      3.20
         HA     27 GLU- QB      3.48
         QB     25 ILE  HN      4.50
         QB     28 LEU  QQD     7.27
         QG     25 ILE  QD1     6.50
 25 ILE  
         HN     25 ILE  HB      2.60
         HN     25 ILE  QG2     4.80
         HN     25 ILE  HG12    4.10
         HN     25 ILE  HG13    4.10
         HN     25 ILE  QG1     3.90
         HN     25 ILE  QD1     6.00
         HN     26 CYSS HN      2.90
         HA     25 ILE  HB      3.00
         HA     25 ILE  QG2     3.60
         HA     25 ILE  QD1     3.60
         HA     28 LEU  HN      3.70
         HA     28 LEU  HB2     3.20
         HA     28 LEU  HB3     3.20
         HA     28 LEU  QB      2.83
         QG2    26 CYSS HN      4.80
         QG2    26 CYSS HA      4.50
 26 CYSS 
         HN     26 CYSS HB2     2.60
         HN     26 CYSS HB3     2.70
         HN     27 GLU- HN      3.00
         HN     28 LEU  HN      3.70
         HA     26 CYSS HB2     2.70
         HB2    27 GLU- HN      3.60
         HB3    27 GLU- HN      3.00
 27 GLU- 
         HN     27 GLU- HB2     2.70
         HN     27 GLU- HB3     2.70
         HN     27 GLU- HG2     4.70
         HN     27 GLU- HG3     4.70
         HN     27 GLU- QG      4.42
         HN     28 LEU  HN      3.20
         HA     27 GLU- HG2     3.10
         HA     27 GLU- HG3     3.10
         HA     27 GLU- QG      2.87
         HA     30 VAL  HN      3.90
         HA     30 VAL  QQG     5.86
         QB     28 LEU  HN      4.28
         QG     28 LEU  HN      5.88
         QG     28 LEU  QQD     7.55
 28 LEU  
         HN     28 LEU  HB2     3.30
         HN     28 LEU  HB3     3.30
         HN     28 LEU  QB      3.08
         HN     28 LEU  HG      3.90
         HN     28 LEU  QQD     6.27
         HN     29 THR  HN      3.40
         HA     28 LEU  QD1     3.80
         HA     28 LEU  QD2     3.80
         HA     28 LEU  QQD     3.25
         HA     31 MET  HN      3.40
         HA     31 MET  HB2     2.90
         HB2    29 THR  HN      4.00
         HB3    29 THR  HN      4.00
 29 THR  
         HN     29 THR  HB      3.10
         HA     29 THR  QG2     3.40
         HA     32 GLN  HN      3.80
         HA     32 GLN  HB2     2.90
         HA     32 GLN  HB3     3.00
         HB     30 VAL  HN      3.30
         QG2    30 VAL  HN      6.00
         QG2    30 VAL  HA      5.80
         QG2    33 ASN  QB      6.40
         QG2    33 ASN  HD21    4.40
         QG2    33 ASN  HD22    4.40
 30 VAL  
         HN     30 VAL  HB      2.70
         HN     30 VAL  QQG     3.92
         HA     30 VAL  QG1     3.40
         HA     30 VAL  QG2     3.40
         HA     33 ASN  QB      4.80
         HB     31 MET  HN      3.20
         QG1    34 CYSS HB2     7.92
         QG1    34 CYSS HB3     7.92
         QG2    34 CYSS HB2     7.92
         QG2    34 CYSS HB3     7.92
         QQG    31 MET  HN      7.26
         QQG    31 MET  HA      7.56
         QQG    34 CYSS QB      5.86
         QQG    38 PHE  HB2     7.56
         QQG    38 PHE  QD      8.46
 31 MET  
         HN     31 MET  HB2     2.80
         HN     31 MET  HG2     5.00
         HN     31 MET  HG3     5.00
         HN     31 MET  QG      4.23
         HA     31 MET  HB2     2.70
         HA     31 MET  QG      3.97
         HB2    32 GLN  HN      3.30
 32 GLN  
         HN     32 GLN  HB2     3.20
         HN     32 GLN  HB3     3.00
         HN     32 GLN  QG      5.88
         HN     33 ASN  HN      3.20
         HA     32 GLN  HB2     2.80
         HA     32 GLN  HB3     2.90
         HA     32 GLN  QG      3.86
         HB2    33 ASN  HN      4.00
         HB3    33 ASN  HN      3.90
 33 ASN  
         HN     33 ASN  QB      3.70
         HN     34 CYSS HN      2.80
         HD21   34 CYSS HB2     6.23
         HD21   34 CYSS HB3     6.23
         HD22   34 CYSS HB2     6.23
         HD22   34 CYSS HB3     6.23
         QD2    34 CYSS QB      5.10
 34 CYSS 
         HN     34 CYSS QB      3.67
         HA     35 GLU- HN      2.60
         HB2    35 GLU- HN      3.90
         HB3    35 GLU- HN      3.90
         QB     35 GLU- HN      3.28
 35 GLU- 
         HN     35 GLU- HB2     3.20
         HN     35 GLU- HB3     3.20
         HN     35 GLU- QB      2.88
         HN     35 GLU- QG      5.50
         HN     36 PRO  QD      5.68
         HA     36 PRO  HD2     3.10
         HA     36 PRO  HD3     3.10
         HA     36 PRO  QD      2.77
         HB2    36 PRO  HD2     6.75
         HB2    36 PRO  HD3     6.75
         HB3    36 PRO  HD2     6.75
         HB3    36 PRO  HD3     6.75
         QB     36 PRO  QD      5.28
         QG     36 PRO  QD      6.88
 36 PRO  
         HA     37 PRO  HA      2.70
         HA     38 PHE  HN      3.40
         HA     38 PHE  QD      7.00
         HB2    37 PRO  HA      3.10
         HB3    37 PRO  HA      3.10
         QB     37 PRO  HA      2.87
         QB     38 PHE  QD      6.78
 37 PRO  
         HA     38 PHE  HN      2.80
         HA     38 PHE  QD      7.00
         QB     38 PHE  HN      4.30
 38 PHE  
         HN     38 PHE  HB2     3.00
         HN     38 PHE  HB3     3.20
         HA     38 PHE  HB2     3.00
         HA     39 SER  HN      2.60
         QD     39 SER  HN      7.00
 39 SER  
         HN     39 SER  HB2     3.50
         HN     39 SER  HB3     3.50
         HN     39 SER  QB      3.24

ANLGE
   1 ASP-  CHI1     25.0   245.0
   2 GLU-  PHI    -175.0   -45.0
   2 GLU-  CHI1    155.0   325.0
   3 CYSS  PHI     -95.0   -55.0
   3 CYSS  CHI1    145.0   185.0
   4 ALA   PHI      35.0   325.0
   5 ASN   PHI      45.0   315.0
   6 ALA   PHI     -75.0   195.0
   7 ALA   PHI      45.0   315.0
   8 ALA   PHI      35.0   315.0
   9 GLN   PHI    -135.0   -75.0
   9 GLN   CHI1    165.0   215.0
  10 CYSS  PHI      35.0    95.0
  10 CYSS  CHI1   -265.0    25.0
  11 SER   PHI    -145.0   -95.0
  11 SER   CHI1    145.0   185.0
  13 THR   PHI    -165.0   -75.0
  14 LEU   PHI     -75.0   -35.0
  14 LEU   CHI1    155.0   315.0
  15 CYSS  PHI     165.0   315.0
  15 CYSS  CHI1    135.0   345.0
  16 ASN   PHI      35.0   325.0
  16 ASN   CHI1    -45.0   165.0
  17 LEU   PHI     -85.0   -45.0
  18 TYR   CHI1    155.0   325.0
  19 CYSS  CHI1    155.0   325.0
  23 ILE   PHI     -85.0   -45.0
  24 GLU-  PHI      85.0   325.0
  25 ILE   PHI    -145.0   -55.0
  26 CYSS  PHI     -95.0   -55.0
  26 CYSS  CHI1    165.0   215.0
  27 GLU-  PHI     -85.0   -45.0
  29 THR   PHI      35.0   315.0
  30 VAL   PHI     -85.0   -45.0
  31 MET   PHI     -85.0    45.0
  32 GLN   PHI     -95.0   -55.0
  33 ASN   PHI    -155.0   -85.0
  34 CYSS  PHI    -155.0   -85.0
  38 PHE   CHI1    145.0   185.0
  39 SER   CHI1   -145.0    55.0
END

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    HA   ASP   1           HA       ASP   1  -8.347  -9.379  -9.379
    2   1HB   ASP   1          1HB       ASP   1  -6.449  -8.375  -8.375
    3   2HB   ASP   1          2HB       ASP   1  -5.759  -8.285  -8.285
    4    H    GLU   2           H        GLU   2  -6.746  -8.733  -8.733
    5    HA   GLU   2           HA       GLU   2  -7.807  -6.206  -6.206
    6   1HB   GLU   2          1HB       GLU   2  -5.882  -8.181  -8.181
    7   2HB   GLU   2          2HB       GLU   2  -6.736  -6.835  -6.835
    8   1HG   GLU   2          1HG       GLU   2  -8.091  -9.300  -9.300
    9   2HG   GLU   2          2HG       GLU   2  -7.876  -8.950  -8.950
   10    H    CYS   3           H        CYS   3  -4.710  -7.697  -7.697
   11    HA   CYS   3           HA       CYS   3  -3.089  -5.471  -5.471
   12   1HB   CYS   3          1HB       CYS   3  -2.196  -7.624  -7.624
   13   2HB   CYS   3          2HB       CYS   3  -2.964  -7.450  -7.450
   14    H    ALA   4           H        ALA   4  -5.163  -6.084  -6.084
   15    HA   ALA   4           HA       ALA   4  -4.417  -3.746  -3.746
   16   1HB   ALA   4          3HB       ALA   4  -7.041  -5.321  -5.321
   17   2HB   ALA   4          1HB       ALA   4  -6.553  -4.109  -4.109
   18   3HB   ALA   4          2HB       ALA   4  -5.629  -5.619  -5.619
   19    H    ASN   5           H        ASN   5  -7.187  -4.367  -4.367
   20    HA   ASN   5           HA       ASN   5  -8.263  -1.751  -1.751
   21   1HB   ASN   5          1HB       ASN   5  -9.475  -3.618  -3.618
   22   2HB   ASN   5          2HB       ASN   5  -8.210  -3.916  -3.916
   23   1HD2  ASN   5          2HD2      ASN   5 -10.960  -2.523  -2.523
   24   2HD2  ASN   5          1HD2      ASN   5 -10.359  -3.991  -3.991
   25    H    ALA   6           H        ALA   6  -5.746  -3.111  -3.111
   26    HA   ALA   6           HA       ALA   6  -5.385  -0.926  -0.926
   27   1HB   ALA   6          3HB       ALA   6  -4.313  -3.185  -3.185
   28   2HB   ALA   6          1HB       ALA   6  -3.300  -2.890  -2.890
   29   3HB   ALA   6          2HB       ALA   6  -3.113  -1.867  -1.867
   30    H    ALA   7           H        ALA   7  -3.822  -1.576  -1.576
   31    HA   ALA   7           HA       ALA   7  -2.308   0.876   0.876
   32   1HB   ALA   7          1HB       ALA   7  -1.760  -1.002  -1.002
   33   2HB   ALA   7          2HB       ALA   7  -3.298  -0.781  -0.781
   34   3HB   ALA   7          3HB       ALA   7  -2.053   0.490   0.490
   35    H    ALA   8           H        ALA   8  -5.562  -0.011  -0.011
   36    HA   ALA   8           HA       ALA   8  -6.126   2.522   2.522
   37   1HB   ALA   8          3HB       ALA   8  -7.348   0.382   0.382
   38   2HB   ALA   8          1HB       ALA   8  -8.102   0.538   0.538
   39   3HB   ALA   8          2HB       ALA   8  -8.411   1.755   1.755
   40    H    GLN   9           H        GLN   9  -6.245   1.402   1.402
   41    HA   GLN   9           HA       GLN   9  -7.760   3.694   3.694
   42   1HB   GLN   9          1HB       GLN   9  -7.771   1.169   1.169
   43   2HB   GLN   9          2HB       GLN   9  -6.402   1.683   1.683
   44   1HG   GLN   9          1HG       GLN   9  -7.874   3.436   3.436
   45   2HG   GLN   9          2HG       GLN   9  -9.158   3.018   3.018
   46   1HE2  GLN   9          2HE2      GLN   9  -9.837  -0.172  -0.172
   47   2HE2  GLN   9          1HE2      GLN   9  -9.282   0.187   0.187
   48    H    CYS  10           H        CYS  10  -4.565   3.249   3.249
   49    HA   CYS  10           HA       CYS  10  -2.682   4.385   4.385
   50   1HB   CYS  10          1HB       CYS  10  -4.650   6.607   6.607
   51   2HB   CYS  10          2HB       CYS  10  -2.915   6.845   6.845
   52    H    SER  11           H        SER  11  -2.941   2.556   2.556
   53    HA   SER  11           HA       SER  11  -1.831   3.912   3.912
   54   1HB   SER  11          1HB       SER  11  -4.188   3.447   3.447
   55   2HB   SER  11          2HB       SER  11  -4.058   1.823   1.823
   56    HG   SER  11           HG       SER  11  -3.825   2.189   2.189
   57    H    ILE  12           H        ILE  12  -0.103   3.205   3.205
   58    HA   ILE  12           HA       ILE  12   1.322   0.943   0.943
   59    HB   ILE  12           HB       ILE  12   1.807   2.714   2.714
   60   1HG1  ILE  12          1HG1      ILE  12   1.526   4.165   4.165
   61   2HG1  ILE  12          2HG1      ILE  12   3.233   3.949   3.949
   62   1HG2  ILE  12          1HG2      ILE  12   3.710   0.968   0.968
   63   2HG2  ILE  12          2HG2      ILE  12   4.184   2.141   2.141
   64   3HG2  ILE  12          3HG2      ILE  12   3.214   0.732   0.732
   65   1HD1  ILE  12          2HD1      ILE  12   3.146   2.161   2.161
   66   2HD1  ILE  12          3HD1      ILE  12   1.511   2.754   2.754
   67   3HD1  ILE  12          1HD1      ILE  12   2.882   3.841   3.841
   68    H    THR  13           H        THR  13  -0.682   1.744   1.744
   69    HA   THR  13           HA       THR  13   0.081  -0.441  -0.441
   70    HB   THR  13           HB       THR  13  -2.573   1.064   1.064
   71    HG1  THR  13          1HG       THR  13  -0.059   2.109   2.109
   72   1HG2  THR  13          2HG2      THR  13  -2.104  -0.604  -0.604
   73   2HG2  THR  13          3HG2      THR  13  -0.601   0.253   0.253
   74   3HG2  THR  13          1HG2      THR  13  -2.178   1.048   1.048
   75    H    LEU  14           H        LEU  14  -2.500   0.110   0.110
   76    HA   LEU  14           HA       LEU  14  -3.509  -2.651  -2.651
   77   1HB   LEU  14          1HB       LEU  14  -4.125  -0.362  -0.362
   78   2HB   LEU  14          2HB       LEU  14  -4.700  -1.979  -1.979
   79    HG   LEU  14           HG       LEU  14  -5.138  -1.002  -1.002
   80   1HD1  LEU  14          1HD1      LEU  14  -6.574   0.266   0.266
   81   2HD1  LEU  14          2HD1      LEU  14  -7.166   0.294   0.294
   82   3HD1  LEU  14          3HD1      LEU  14  -5.654   1.104   1.104
   83   1HD2  LEU  14          2HD2      LEU  14  -5.925  -3.151  -3.151
   84   2HD2  LEU  14          3HD2      LEU  14  -7.270  -2.119  -2.119
   85   3HD2  LEU  14          1HD2      LEU  14  -6.897  -2.230  -2.230
   86    H    CYS  15           H        CYS  15  -1.245  -0.918  -0.918
   87    HA   CYS  15           HA       CYS  15  -0.875  -2.911  -2.911
   88   1HB   CYS  15          1HB       CYS  15   1.266  -1.117  -1.117
   89   2HB   CYS  15          2HB       CYS  15   1.580  -2.248  -2.248
   90    H    ASN  16           H        ASN  16   1.108  -2.513  -2.513
   91    HA   ASN  16           HA       ASN  16   2.410  -5.011  -5.011
   92   1HB   ASN  16          1HB       ASN  16   1.947  -3.629  -3.629
   93   2HB   ASN  16          2HB       ASN  16   3.266  -4.732  -4.732
   94   1HD2  ASN  16          2HD2      ASN  16   4.452  -1.137  -1.137
   95   2HD2  ASN  16          1HD2      ASN  16   3.603  -2.178  -2.178
   96    H    LEU  17           H        LEU  17  -0.766  -4.374  -4.374
   97    HA   LEU  17           HA       LEU  17  -0.959  -6.446  -6.446
   98   1HB   LEU  17          1HB       LEU  17  -2.435  -4.400  -4.400
   99   2HB   LEU  17          2HB       LEU  17  -3.281  -5.409  -5.409
  100    HG   LEU  17           HG       LEU  17  -4.295  -5.030  -5.030
  101   1HD1  LEU  17          2HD1      LEU  17  -3.838  -7.909  -7.909
  102   2HD1  LEU  17          3HD1      LEU  17  -5.093  -7.337  -7.337
  103   3HD1  LEU  17          1HD1      LEU  17  -5.074  -6.762  -6.762
  104   1HD2  LEU  17          2HD2      LEU  17  -2.041  -5.282  -5.282
  105   2HD2  LEU  17          3HD2      LEU  17  -3.479  -6.011  -6.011
  106   3HD2  LEU  17          1HD2      LEU  17  -2.317  -7.025  -7.025
  107    H    TYR  18           H        TYR  18  -1.301  -6.502  -6.502
  108    HA   TYR  18           HA       TYR  18  -1.268  -9.479  -9.479
  109   1HB   TYR  18          1HB       TYR  18  -3.325  -7.708  -7.708
  110   2HB   TYR  18          2HB       TYR  18  -3.061  -9.379  -9.379
  111    HD1  TYR  18          1HD       TYR  18  -2.930 -11.045 -11.045
  112    HD2  TYR  18          2HD       TYR  18  -5.171  -7.379  -7.379
  113    HE1  TYR  18          1HE       TYR  18  -4.449 -11.835 -11.835
  114    HE2  TYR  18          2HE       TYR  18  -6.796  -8.253  -8.253
  115    HH   TYR  18           HH       TYR  18  -7.238  -9.881  -9.881
  116    H    CYS  19           H        CYS  19   0.107  -6.673  -6.673
  117    HA   CYS  19           HA       CYS  19  -0.114  -7.836  -7.836
  118   1HB   CYS  19          1HB       CYS  19   1.474  -5.508  -5.508
  119   2HB   CYS  19          2HB       CYS  19   1.637  -6.133  -6.133
  120    H    GLY  20           H        GLY  20   2.176  -8.468  -8.468
  121   1HA   GLY  20          1HA       GLY  20   4.112  -9.682  -9.682
  122   2HA   GLY  20          2HA       GLY  20   3.362 -10.617 -10.617
  123    HA   PRO  21           HA       PRO  21   7.065  -8.788  -8.788
  124   1HB   PRO  21          1HB       PRO  21   6.591  -9.755  -9.755
  125   2HB   PRO  21          2HB       PRO  21   7.473 -10.619 -10.619
  126   1HG   PRO  21          1HG       PRO  21   4.656 -11.017 -11.017
  127   2HG   PRO  21          2HG       PRO  21   5.793 -12.224 -12.224
  128   1HD   PRO  21          1HD       PRO  21   3.751 -11.147 -11.147
  129   2HD   PRO  21          2HD       PRO  21   5.274 -11.741 -11.741
  130    H    LEU  22           H        LEU  22   3.750  -8.572  -8.572
  131    HA   LEU  22           HA       LEU  22   4.370  -6.364  -6.364
  132   1HB   LEU  22          1HB       LEU  22   1.701  -7.126  -7.126
  133   2HB   LEU  22          2HB       LEU  22   2.005  -6.233  -6.233
  134    HG   LEU  22           HG       LEU  22   1.435  -8.206  -8.206
  135   1HD1  LEU  22          3HD1      LEU  22   3.668  -7.713  -7.713
  136   2HD1  LEU  22          1HD1      LEU  22   4.368  -8.893  -8.893
  137   3HD1  LEU  22          2HD1      LEU  22   3.214  -9.420  -9.420
  138   1HD2  LEU  22          2HD2      LEU  22   1.022  -9.418  -9.418
  139   2HD2  LEU  22          3HD2      LEU  22   1.666 -10.415 -10.415
  140   3HD2  LEU  22          1HD2      LEU  22   2.706  -9.971  -9.971
  141    H    ILE  23           H        ILE  23   4.359  -6.491  -6.491
  142    HA   ILE  23           HA       ILE  23   3.255  -4.030  -4.030
  143    HB   ILE  23           HB       ILE  23   5.755  -5.525  -5.525
  144   1HG1  ILE  23          1HG1      ILE  23   3.112  -4.859  -4.859
  145   2HG1  ILE  23          2HG1      ILE  23   3.383  -6.349  -6.349
  146   1HG2  ILE  23          1HG2      ILE  23   4.682  -2.940  -2.940
  147   2HG2  ILE  23          2HG2      ILE  23   5.876  -4.010  -4.010
  148   3HG2  ILE  23          3HG2      ILE  23   6.283  -3.196  -3.196
  149   1HD1  ILE  23          3HD1      ILE  23   5.325  -6.861  -6.861
  150   2HD1  ILE  23          1HD1      ILE  23   4.730  -5.537  -5.537
  151   3HD1  ILE  23          2HD1      ILE  23   3.699  -6.935  -6.935
  152    H    GLU  24           H        GLU  24   6.261  -4.732  -4.732
  153    HA   GLU  24           HA       GLU  24   7.138  -2.019  -2.019
  154   1HB   GLU  24          1HB       GLU  24   8.677  -3.874  -3.874
  155   2HB   GLU  24          2HB       GLU  24   7.965  -4.317  -4.317
  156   1HG   GLU  24          1HG       GLU  24   9.148  -1.557  -1.557
  157   2HG   GLU  24          2HG       GLU  24  10.219  -2.944  -2.944
  158    H    ILE  25           H        ILE  25   5.960  -3.536  -3.536
  159    HA   ILE  25           HA       ILE  25   5.445  -1.109  -1.109
  160    HB   ILE  25           HB       ILE  25   3.899  -3.709  -3.709
  161   1HG1  ILE  25          1HG1      ILE  25   6.184  -3.824  -3.824
  162   2HG1  ILE  25          2HG1      ILE  25   4.977  -4.021  -4.021
  163   1HG2  ILE  25          2HG2      ILE  25   3.417  -1.199  -1.199
  164   2HG2  ILE  25          3HG2      ILE  25   2.947  -2.806  -2.806
  165   3HG2  ILE  25          1HG2      ILE  25   2.245  -2.158  -2.158
  166   1HD1  ILE  25          3HD1      ILE  25   5.303  -1.613  -1.613
  167   2HD1  ILE  25          1HD1      ILE  25   6.656  -1.537  -1.537
  168   3HD1  ILE  25          2HD1      ILE  25   6.706  -2.654  -2.654
  169    H    CYS  26           H        CYS  26   3.613  -2.489  -2.489
  170    HA   CYS  26           HA       CYS  26   1.221  -0.904  -0.904
  171   1HB   CYS  26          1HB       CYS  26   1.373  -2.982  -2.982
  172   2HB   CYS  26          2HB       CYS  26   2.250  -2.123  -2.123
  173    H    GLU  27           H        GLU  27   4.135  -0.673  -0.673
  174    HA   GLU  27           HA       GLU  27   3.347   1.857   1.857
  175   1HB   GLU  27          1HB       GLU  27   4.887   0.303   0.303
  176   2HB   GLU  27          2HB       GLU  27   6.107   0.589   0.589
  177   1HG   GLU  27          1HG       GLU  27   6.317   2.884   2.884
  178   2HG   GLU  27          2HG       GLU  27   4.850   2.888   2.888
  179    H    LEU  28           H        LEU  28   5.339   0.873   0.873
  180    HA   LEU  28           HA       LEU  28   6.277   3.381   3.381
  181   1HB   LEU  28          1HB       LEU  28   6.569   0.845   0.845
  182   2HB   LEU  28          2HB       LEU  28   5.647   1.558   1.558
  183    HG   LEU  28           HG       LEU  28   7.855   3.287   3.287
  184   1HD1  LEU  28          1HD1      LEU  28   8.506   0.621   0.621
  185   2HD1  LEU  28          2HD1      LEU  28   9.653   1.955   1.955
  186   3HD1  LEU  28          3HD1      LEU  28   8.829   1.154   1.154
  187   1HD2  LEU  28          1HD2      LEU  28   6.599   3.726   3.726
  188   2HD2  LEU  28          2HD2      LEU  28   8.341   3.536   3.536
  189   3HD2  LEU  28          3HD2      LEU  28   7.239   2.207   2.207
  190    H    THR  29           H        THR  29   3.307   1.708   1.708
  191    HA   THR  29           HA       THR  29   2.397   3.842   3.842
  192    HB   THR  29           HB       THR  29   0.801   1.672   1.672
  193    HG1  THR  29          1HG       THR  29   2.320   0.812   0.812
  194   1HG2  THR  29          2HG2      THR  29   0.103   3.537   3.537
  195   2HG2  THR  29          3HG2      THR  29  -0.838   2.098   2.098
  196   3HG2  THR  29          1HG2      THR  29  -0.692   3.447   3.447
  197    H    VAL  30           H        VAL  30   1.745   3.045   3.045
  198    HA   VAL  30           HA       VAL  30  -0.066   5.227   5.227
  199    HB   VAL  30           HB       VAL  30   1.654   3.801   3.801
  200   1HG1  VAL  30          1HG1      VAL  30  -0.737   5.674   5.674
  201   2HG1  VAL  30          2HG1      VAL  30   0.007   4.733   4.733
  202   3HG1  VAL  30          3HG1      VAL  30   0.916   6.017   6.017
  203   1HG2  VAL  30          2HG2      VAL  30  -1.207   3.445   3.445
  204   2HG2  VAL  30          3HG2      VAL  30   0.052   2.238   2.238
  205   3HG2  VAL  30          1HG2      VAL  30  -0.634   2.750   2.750
  206    H    MET  31           H        MET  31   3.532   5.098   5.098
  207    HA   MET  31           HA       MET  31   3.880   7.801   7.801
  208   1HB   MET  31          1HB       MET  31   5.557   5.729   5.729
  209   2HB   MET  31          2HB       MET  31   5.757   6.515   6.515
  210   1HG   MET  31          1HG       MET  31   6.354   8.634   8.634
  211   2HG   MET  31          2HG       MET  31   6.167   7.808   7.808
  212   1HE   MET  31          1HE       MET  31   8.718   9.432   9.432
  213   2HE   MET  31          2HE       MET  31   8.544   8.529   8.529
  214   3HE   MET  31          3HE       MET  31  10.007   8.327   8.327
  215    H    GLN  32           H        GLN  32   3.618   6.259   6.259
  216    HA   GLN  32           HA       GLN  32   4.017   8.421   8.421
  217   1HB   GLN  32          1HB       GLN  32   3.807   5.900   5.900
  218   2HB   GLN  32          2HB       GLN  32   2.097   6.266   6.266
  219   1HG   GLN  32          1HG       GLN  32   2.583   7.554   7.554
  220   2HG   GLN  32          2HG       GLN  32   4.262   7.837   7.837
  221   1HE2  GLN  32          2HE2      GLN  32   3.397   4.197   4.197
  222   2HE2  GLN  32          1HE2      GLN  32   2.066   5.215   5.215
  223    H    ASN  33           H        ASN  33   0.911   7.289   7.289
  224    HA   ASN  33           HA       ASN  33  -0.458   9.608   9.608
  225   1HB   ASN  33          1HB       ASN  33  -2.399   8.216   8.216
  226   2HB   ASN  33          2HB       ASN  33  -2.158   8.360   8.360
  227   1HD2  ASN  33          2HD2      ASN  33  -1.738   4.798   4.798
  228   2HD2  ASN  33          1HD2      ASN  33  -1.617   6.239   6.239
  229    H    CYS  34           H        CYS  34   0.723   8.759   8.759
  230    HA   CYS  34           HA       CYS  34  -0.984  10.840  10.840
  231   1HB   CYS  34          1HB       CYS  34  -0.859   7.857   7.857
  232   2HB   CYS  34          2HB       CYS  34  -1.427   8.993   8.993
  233    H    GLU  35           H        GLU  35  -0.251  10.866  10.866
  234    HA   GLU  35           HA       GLU  35   2.717  10.967  10.967
  235   1HB   GLU  35          1HB       GLU  35   0.369  12.602  12.602
  236   2HB   GLU  35          2HB       GLU  35   1.722  12.542  12.542
  237   1HG   GLU  35          1HG       GLU  35   2.147  13.106  13.106
  238   2HG   GLU  35          2HG       GLU  35   1.634  14.384  14.384
  239    HA   PRO  36           HA       PRO  36   1.532   7.735   7.735
  240   1HB   PRO  36          1HB       PRO  36   3.410   5.827   5.827
  241   2HB   PRO  36          2HB       PRO  36   1.833   5.987   5.987
  242   1HG   PRO  36          1HG       PRO  36   4.560   7.040   7.040
  243   2HG   PRO  36          2HG       PRO  36   3.392   6.139   6.139
  244   1HD   PRO  36          1HD       PRO  36   3.579   8.879   8.879
  245   2HD   PRO  36          2HD       PRO  36   2.009   8.044   8.044
  246    HA   PRO  37           HA       PRO  37   2.655   5.878   5.878
  247   1HB   PRO  37          1HB       PRO  37   2.704   5.959   5.959
  248   2HB   PRO  37          2HB       PRO  37   4.083   5.415   5.415
  249   1HG   PRO  37          1HG       PRO  37   3.642   8.162   8.162
  250   2HG   PRO  37          2HG       PRO  37   5.122   7.162   7.162
  251   1HD   PRO  37          1HD       PRO  37   4.803   9.150   9.150
  252   2HD   PRO  37          2HD       PRO  37   5.627   7.624   7.624
  253    H    PHE  38           H        PHE  38   0.401   5.711   5.711
  254    HA   PHE  38           HA       PHE  38  -1.309   7.866   7.866
  255   1HB   PHE  38          1HB       PHE  38  -1.740   5.894   5.894
  256   2HB   PHE  38          2HB       PHE  38  -1.442   4.861   4.861
  257    HD1  PHE  38          2HD       PHE  38  -3.857   6.879   6.879
  258    HD2  PHE  38          1HD       PHE  38  -3.048   4.434   4.434
  259    HE1  PHE  38          2HE       PHE  38  -6.250   6.219   6.219
  260    HE2  PHE  38          1HE       PHE  38  -5.467   3.826   3.826
  261   1HZ   PHE  38           HZ       PHE  38  -7.031   4.602   4.602
  262    H    SER  39           H        SER  39  -2.561   8.656   8.656
  263    HA   SER  39           HA       SER  39  -2.669   7.335   7.335
  264   1HB   SER  39          1HB       SER  39  -2.338  10.315  10.315
  265   2HB   SER  39          2HB       SER  39  -3.064   9.697   9.697
  266    HG   SER  39           HG       SER  39  -1.092   8.433   8.433

  Start of MODEL    2
    1    HA   ASP   1           HA       ASP   1  -7.822  -9.314  -9.314
    2   1HB   ASP   1          1HB       ASP   1  -5.365  -9.486  -9.486
    3   2HB   ASP   1          2HB       ASP   1  -5.955 -10.098 -10.098
    4    H    GLU   2           H        GLU   2  -6.608  -8.615  -8.615
    5    HA   GLU   2           HA       GLU   2  -7.562  -5.932  -5.932
    6   1HB   GLU   2          1HB       GLU   2  -6.095  -7.928  -7.928
    7   2HB   GLU   2          2HB       GLU   2  -6.709  -6.368  -6.368
    8   1HG   GLU   2          1HG       GLU   2  -8.546  -8.483  -8.483
    9   2HG   GLU   2          2HG       GLU   2  -8.222  -8.278  -8.278
   10    H    CYS   3           H        CYS   3  -4.642  -7.121  -7.121
   11    HA   CYS   3           HA       CYS   3  -2.897  -5.232  -5.232
   12   1HB   CYS   3          1HB       CYS   3  -1.977  -7.318  -7.318
   13   2HB   CYS   3          2HB       CYS   3  -2.489  -6.893  -6.893
   14    H    ALA   4           H        ALA   4  -4.496  -5.525  -5.525
   15    HA   ALA   4           HA       ALA   4  -3.960  -2.923  -2.923
   16   1HB   ALA   4          1HB       ALA   4  -4.872  -4.792  -4.792
   17   2HB   ALA   4          2HB       ALA   4  -6.386  -4.730  -4.730
   18   3HB   ALA   4          3HB       ALA   4  -5.922  -3.362  -3.362
   19    H    ASN   5           H        ASN   5  -6.607  -4.203  -4.203
   20    HA   ASN   5           HA       ASN   5  -8.091  -1.788  -1.788
   21   1HB   ASN   5          1HB       ASN   5  -8.797  -4.074  -4.074
   22   2HB   ASN   5          2HB       ASN   5  -7.690  -3.827  -3.827
   23   1HD2  ASN   5          2HD2      ASN   5 -10.948  -2.965  -2.965
   24   2HD2  ASN   5          1HD2      ASN   5 -10.017  -4.391  -4.391
   25    H    ALA   6           H        ALA   6  -5.357  -2.983  -2.983
   26    HA   ALA   6           HA       ALA   6  -5.197  -0.819  -0.819
   27   1HB   ALA   6          3HB       ALA   6  -3.933  -2.949  -2.949
   28   2HB   ALA   6          1HB       ALA   6  -2.941  -2.541  -2.541
   29   3HB   ALA   6          2HB       ALA   6  -2.878  -1.501  -1.501
   30    H    ALA   7           H        ALA   7  -3.622  -1.312  -1.312
   31    HA   ALA   7           HA       ALA   7  -2.263   1.184   1.184
   32   1HB   ALA   7          2HB       ALA   7  -1.746  -0.668  -0.668
   33   2HB   ALA   7          3HB       ALA   7  -3.325  -0.469  -0.469
   34   3HB   ALA   7          1HB       ALA   7  -2.117   0.828   0.828
   35    H    ALA   8           H        ALA   8  -5.604   0.280   0.280
   36    HA   ALA   8           HA       ALA   8  -6.306   2.778   2.778
   37   1HB   ALA   8          1HB       ALA   8  -7.602   0.711   0.711
   38   2HB   ALA   8          2HB       ALA   8  -8.164   0.763   0.763
   39   3HB   ALA   8          3HB       ALA   8  -8.610   2.058   2.058
   40    H    GLN   9           H        GLN   9  -6.546   1.523   1.523
   41    HA   GLN   9           HA       GLN   9  -7.657   3.993   3.993
   42   1HB   GLN   9          1HB       GLN   9  -7.897   1.771   1.771
   43   2HB   GLN   9          2HB       GLN   9  -6.158   1.769   1.769
   44   1HG   GLN   9          1HG       GLN   9  -6.363   3.737   3.737
   45   2HG   GLN   9          2HG       GLN   9  -8.014   4.024   4.024
   46   1HE2  GLN   9          2HE2      GLN   9  -7.480   1.825   1.825
   47   2HE2  GLN   9          1HE2      GLN   9  -6.263   2.880   2.880
   48    H    CYS  10           H        CYS  10  -4.486   2.889   2.889
   49    HA   CYS  10           HA       CYS  10  -2.536   3.935   3.935
   50   1HB   CYS  10          1HB       CYS  10  -4.084   5.886   5.886
   51   2HB   CYS  10          2HB       CYS  10  -3.653   6.605   6.605
   52    H    SER  11           H        SER  11  -2.912   2.411   2.411
   53    HA   SER  11           HA       SER  11  -1.698   3.842   3.842
   54   1HB   SER  11          1HB       SER  11  -4.146   3.293   3.293
   55   2HB   SER  11          2HB       SER  11  -3.870   1.647   1.647
   56    HG   SER  11           HG       SER  11  -3.436   2.708   2.708
   57    H    ILE  12           H        ILE  12   0.115   3.194   3.194
   58    HA   ILE  12           HA       ILE  12   1.473   0.835   0.835
   59    HB   ILE  12           HB       ILE  12   1.763   2.682   2.682
   60   1HG1  ILE  12          1HG1      ILE  12   1.881   4.044   4.044
   61   2HG1  ILE  12          2HG1      ILE  12   3.541   3.688   3.688
   62   1HG2  ILE  12          3HG2      ILE  12   3.728   0.713   0.713
   63   2HG2  ILE  12          1HG2      ILE  12   4.139   1.975   1.975
   64   3HG2  ILE  12          2HG2      ILE  12   3.017   0.696   0.696
   65   1HD1  ILE  12          2HD1      ILE  12   3.562   1.899   1.899
   66   2HD1  ILE  12          3HD1      ILE  12   1.985   2.535   2.535
   67   3HD1  ILE  12          1HD1      ILE  12   3.413   3.570   3.570
   68    H    THR  13           H        THR  13  -0.775   1.561   1.561
   69    HA   THR  13           HA       THR  13   0.005  -0.711  -0.711
   70    HB   THR  13           HB       THR  13  -2.685   0.740   0.740
   71    HG1  THR  13          1HG       THR  13  -0.100   1.546   1.546
   72   1HG2  THR  13          2HG2      THR  13  -2.387  -1.166  -1.166
   73   2HG2  THR  13          3HG2      THR  13  -0.923  -0.383  -0.383
   74   3HG2  THR  13          1HG2      THR  13  -2.513   0.394   0.394
   75    H    LEU  14           H        LEU  14  -2.722  -0.039  -0.039
   76    HA   LEU  14           HA       LEU  14  -3.659  -2.801  -2.801
   77   1HB   LEU  14          1HB       LEU  14  -4.089  -0.520  -0.520
   78   2HB   LEU  14          2HB       LEU  14  -4.878  -2.085  -2.085
   79    HG   LEU  14           HG       LEU  14  -5.315   0.274   0.274
   80   1HD1  LEU  14          3HD1      LEU  14  -7.124  -1.778  -1.778
   81   2HD1  LEU  14          1HD1      LEU  14  -7.694  -0.367  -0.367
   82   3HD1  LEU  14          2HD1      LEU  14  -6.766  -0.153  -0.153
   83   1HD2  LEU  14          1HD2      LEU  14  -5.881  -2.593  -2.593
   84   2HD2  LEU  14          2HD2      LEU  14  -4.881  -1.411  -1.411
   85   3HD2  LEU  14          3HD2      LEU  14  -6.641  -1.170  -1.170
   86    H    CYS  15           H        CYS  15  -1.178  -1.082  -1.082
   87    HA   CYS  15           HA       CYS  15  -0.873  -3.118  -3.118
   88   1HB   CYS  15          1HB       CYS  15   1.259  -1.309  -1.309
   89   2HB   CYS  15          2HB       CYS  15   1.552  -2.430  -2.430
   90    H    ASN  16           H        ASN  16   1.001  -2.572  -2.572
   91    HA   ASN  16           HA       ASN  16   2.319  -5.048  -5.048
   92   1HB   ASN  16          1HB       ASN  16   1.719  -3.476  -3.476
   93   2HB   ASN  16          2HB       ASN  16   3.063  -4.593  -4.593
   94   1HD2  ASN  16          2HD2      ASN  16   4.262  -1.024  -1.024
   95   2HD2  ASN  16          1HD2      ASN  16   3.279  -1.803  -1.803
   96    H    LEU  17           H        LEU  17  -0.888  -4.270  -4.270
   97    HA   LEU  17           HA       LEU  17  -1.352  -6.454  -6.454
   98   1HB   LEU  17          1HB       LEU  17  -2.835  -4.451  -4.451
   99   2HB   LEU  17          2HB       LEU  17  -3.456  -5.567  -5.567
  100    HG   LEU  17           HG       LEU  17  -4.938  -5.502  -5.502
  101   1HD1  LEU  17          3HD1      LEU  17  -4.399  -7.852  -7.852
  102   2HD1  LEU  17          1HD1      LEU  17  -3.283  -7.952  -7.952
  103   3HD1  LEU  17          2HD1      LEU  17  -5.011  -7.696  -7.696
  104   1HD2  LEU  17          1HD2      LEU  17  -3.509  -4.291  -4.291
  105   2HD2  LEU  17          2HD2      LEU  17  -4.307  -5.646  -5.646
  106   3HD2  LEU  17          3HD2      LEU  17  -2.605  -5.774  -5.774
  107    H    TYR  18           H        TYR  18  -1.359  -6.432  -6.432
  108    HA   TYR  18           HA       TYR  18  -1.544  -9.433  -9.433
  109   1HB   TYR  18          1HB       TYR  18  -3.272  -7.441  -7.441
  110   2HB   TYR  18          2HB       TYR  18  -3.185  -9.132  -9.132
  111    HD1  TYR  18          1HD       TYR  18  -3.340 -10.768 -10.768
  112    HD2  TYR  18          2HD       TYR  18  -5.260  -6.962  -6.962
  113    HE1  TYR  18          1HE       TYR  18  -5.270 -11.509 -11.509
  114    HE2  TYR  18          2HE       TYR  18  -7.236  -7.760  -7.760
  115    HH   TYR  18           HH       TYR  18  -7.975  -9.418  -9.418
  116    H    CYS  19           H        CYS  19   0.200  -6.833  -6.833
  117    HA   CYS  19           HA       CYS  19   0.051  -7.900  -7.900
  118   1HB   CYS  19          1HB       CYS  19   1.578  -5.649  -5.649
  119   2HB   CYS  19          2HB       CYS  19   1.815  -6.139  -6.139
  120    H    GLY  20           H        GLY  20   2.301  -8.480  -8.480
  121   1HA   GLY  20          1HA       GLY  20   4.287  -9.562  -9.562
  122   2HA   GLY  20          2HA       GLY  20   3.654 -10.613 -10.613
  123    HA   PRO  21           HA       PRO  21   7.244  -8.757  -8.757
  124   1HB   PRO  21          1HB       PRO  21   7.002  -9.860  -9.860
  125   2HB   PRO  21          2HB       PRO  21   7.526 -10.808 -10.808
  126   1HG   PRO  21          1HG       PRO  21   4.724 -10.632 -10.632
  127   2HG   PRO  21          2HG       PRO  21   5.636 -12.114 -12.114
  128   1HD   PRO  21          1HD       PRO  21   3.830 -11.046 -11.046
  129   2HD   PRO  21          2HD       PRO  21   5.345 -11.765 -11.765
  130    H    LEU  22           H        LEU  22   3.872  -8.669  -8.669
  131    HA   LEU  22           HA       LEU  22   4.305  -6.595  -6.595
  132   1HB   LEU  22          1HB       LEU  22   1.726  -7.279  -7.279
  133   2HB   LEU  22          2HB       LEU  22   1.914  -6.443  -6.443
  134    HG   LEU  22           HG       LEU  22   2.527  -9.383  -9.383
  135   1HD1  LEU  22          2HD1      LEU  22   0.134  -8.824  -8.824
  136   2HD1  LEU  22          3HD1      LEU  22   0.337  -8.040  -8.040
  137   3HD1  LEU  22          1HD1      LEU  22   0.603  -9.790  -9.790
  138   1HD2  LEU  22          1HD2      LEU  22   2.850  -7.703  -7.703
  139   2HD2  LEU  22          2HD2      LEU  22   4.088  -8.688  -8.688
  140   3HD2  LEU  22          3HD2      LEU  22   2.749  -9.470  -9.470
  141    H    ILE  23           H        ILE  23   4.543  -6.497  -6.497
  142    HA   ILE  23           HA       ILE  23   3.293  -4.051  -4.051
  143    HB   ILE  23           HB       ILE  23   5.867  -5.279  -5.279
  144   1HG1  ILE  23          1HG1      ILE  23   3.138  -4.904  -4.904
  145   2HG1  ILE  23          2HG1      ILE  23   3.582  -6.366  -6.366
  146   1HG2  ILE  23          1HG2      ILE  23   4.370  -2.823  -2.823
  147   2HG2  ILE  23          2HG2      ILE  23   5.664  -3.650  -3.650
  148   3HG2  ILE  23          3HG2      ILE  23   6.031  -2.854  -2.854
  149   1HD1  ILE  23          1HD1      ILE  23   5.531  -6.664  -6.664
  150   2HD1  ILE  23          2HD1      ILE  23   4.834  -5.356  -5.356
  151   3HD1  ILE  23          3HD1      ILE  23   3.928  -6.843  -6.843
  152    H    GLU  24           H        GLU  24   6.301  -4.749  -4.749
  153    HA   GLU  24           HA       GLU  24   7.121  -2.023  -2.023
  154   1HB   GLU  24          1HB       GLU  24   8.599  -4.042  -4.042
  155   2HB   GLU  24          2HB       GLU  24   7.683  -4.363  -4.363
  156   1HG   GLU  24          1HG       GLU  24   8.592  -1.624  -1.624
  157   2HG   GLU  24          2HG       GLU  24   9.942  -2.603  -2.603
  158    H    ILE  25           H        ILE  25   5.618  -3.791  -3.791
  159    HA   ILE  25           HA       ILE  25   5.137  -1.407  -1.407
  160    HB   ILE  25           HB       ILE  25   3.685  -4.072  -4.072
  161   1HG1  ILE  25          1HG1      ILE  25   5.974  -3.968  -3.968
  162   2HG1  ILE  25          2HG1      ILE  25   4.697  -4.496  -4.496
  163   1HG2  ILE  25          3HG2      ILE  25   2.996  -1.733  -1.733
  164   2HG2  ILE  25          1HG2      ILE  25   2.527  -3.417  -3.417
  165   3HG2  ILE  25          2HG2      ILE  25   1.929  -2.597  -2.597
  166   1HD1  ILE  25          3HD1      ILE  25   5.800  -1.668  -1.668
  167   2HD1  ILE  25          1HD1      ILE  25   6.303  -2.992  -2.992
  168   3HD1  ILE  25          2HD1      ILE  25   4.639  -2.417  -2.417
  169    H    CYS  26           H        CYS  26   3.428  -2.655  -2.655
  170    HA   CYS  26           HA       CYS  26   1.045  -1.053  -1.053
  171   1HB   CYS  26          1HB       CYS  26   1.265  -3.094  -3.094
  172   2HB   CYS  26          2HB       CYS  26   2.152  -2.190  -2.190
  173    H    GLU  27           H        GLU  27   4.076  -0.771  -0.771
  174    HA   GLU  27           HA       GLU  27   3.507   1.745   1.745
  175   1HB   GLU  27          1HB       GLU  27   5.173   0.040   0.040
  176   2HB   GLU  27          2HB       GLU  27   6.182   0.438   0.438
  177   1HG   GLU  27          1HG       GLU  27   6.515   2.695   2.695
  178   2HG   GLU  27          2HG       GLU  27   5.338   2.432   2.432
  179    H    LEU  28           H        LEU  28   5.093   0.733   0.733
  180    HA   LEU  28           HA       LEU  28   5.870   3.369   3.369
  181   1HB   LEU  28          1HB       LEU  28   5.892   0.588   0.588
  182   2HB   LEU  28          2HB       LEU  28   5.705   1.764   1.764
  183    HG   LEU  28           HG       LEU  28   8.017   1.085   1.085
  184   1HD1  LEU  28          2HD1      LEU  28   7.482   3.304   3.304
  185   2HD1  LEU  28          3HD1      LEU  28   7.609   4.056   4.056
  186   3HD1  LEU  28          1HD1      LEU  28   9.027   3.281   3.281
  187   1HD2  LEU  28          1HD2      LEU  28   7.905   0.805   0.805
  188   2HD2  LEU  28          2HD2      LEU  28   9.245   1.863   1.863
  189   3HD2  LEU  28          3HD2      LEU  28   7.787   2.563   2.563
  190    H    THR  29           H        THR  29   2.932   1.477   1.477
  191    HA   THR  29           HA       THR  29   1.795   3.467   3.467
  192    HB   THR  29           HB       THR  29   0.392   1.513   1.513
  193    HG1  THR  29          1HG       THR  29   1.798   0.526   0.526
  194   1HG2  THR  29          1HG2      THR  29  -0.536   3.148   3.148
  195   2HG2  THR  29          2HG2      THR  29  -1.476   1.823   1.823
  196   3HG2  THR  29          3HG2      THR  29  -1.114   3.269   3.269
  197    H    VAL  30           H        VAL  30   1.631   2.894   2.894
  198    HA   VAL  30           HA       VAL  30  -0.159   4.961   4.961
  199    HB   VAL  30           HB       VAL  30   2.088   3.753   3.753
  200   1HG1  VAL  30          2HG1      VAL  30   1.531   6.082   6.082
  201   2HG1  VAL  30          3HG1      VAL  30  -0.055   5.370   5.370
  202   3HG1  VAL  30          1HG1      VAL  30   1.395   4.668   4.668
  203   1HG2  VAL  30          1HG2      VAL  30  -0.588   2.903   2.903
  204   2HG2  VAL  30          2HG2      VAL  30   0.629   2.110   2.110
  205   3HG2  VAL  30          3HG2      VAL  30  -0.504   3.204   3.204
  206    H    MET  31           H        MET  31   3.415   5.097   5.097
  207    HA   MET  31           HA       MET  31   3.866   7.787   7.787
  208   1HB   MET  31          1HB       MET  31   5.220   5.553   5.553
  209   2HB   MET  31          2HB       MET  31   5.855   7.042   7.042
  210   1HG   MET  31          1HG       MET  31   6.399   7.880   7.880
  211   2HG   MET  31          2HG       MET  31   5.350   6.745   6.745
  212   1HE   MET  31          2HE       MET  31   8.703   7.023   7.023
  213   2HE   MET  31          3HE       MET  31   9.369   5.392   5.392
  214   3HE   MET  31          1HE       MET  31   7.912   5.614   5.614
  215    H    GLN  32           H        GLN  32   2.732   6.121   6.121
  216    HA   GLN  32           HA       GLN  32   3.286   8.314   8.314
  217   1HB   GLN  32          1HB       GLN  32   2.718   5.550   5.550
  218   2HB   GLN  32          2HB       GLN  32   1.352   6.297   6.297
  219   1HG   GLN  32          1HG       GLN  32   3.194   5.882   5.882
  220   2HG   GLN  32          2HG       GLN  32   2.922   7.619   7.619
  221   1HE2  GLN  32          2HE2      GLN  32   6.160   6.613   6.613
  222   2HE2  GLN  32          1HE2      GLN  32   4.679   5.725   5.725
  223    H    ASN  33           H        ASN  33   0.700   7.741   7.741
  224    HA   ASN  33           HA       ASN  33  -0.951   9.833   9.833
  225   1HB   ASN  33          1HB       ASN  33  -2.225   8.468   8.468
  226   2HB   ASN  33          2HB       ASN  33  -2.889   8.998   8.998
  227   1HD2  ASN  33          2HD2      ASN  33  -1.895   5.234   5.234
  228   2HD2  ASN  33          1HD2      ASN  33  -0.737   6.463   6.463
  229    H    CYS  34           H        CYS  34   0.274   8.679   8.679
  230    HA   CYS  34           HA       CYS  34  -0.509  11.172  11.172
  231   1HB   CYS  34          1HB       CYS  34  -1.775   9.901   9.901
  232   2HB   CYS  34          2HB       CYS  34  -2.151   9.081   9.081
  233    H    GLU  35           H        GLU  35   0.430  11.206  11.206
  234    HA   GLU  35           HA       GLU  35   3.268  10.357  10.357
  235   1HB   GLU  35          1HB       GLU  35   2.440  12.816  12.816
  236   2HB   GLU  35          2HB       GLU  35   2.262  12.276  12.276
  237   1HG   GLU  35          1HG       GLU  35   4.453  13.058  13.058
  238   2HG   GLU  35          2HG       GLU  35   4.720  11.350  11.350
  239    HA   PRO  36           HA       PRO  36   1.871   7.596   7.596
  240   1HB   PRO  36          1HB       PRO  36   3.847   5.689   5.689
  241   2HB   PRO  36          2HB       PRO  36   2.436   5.821   5.821
  242   1HG   PRO  36          1HG       PRO  36   5.288   6.815   6.815
  243   2HG   PRO  36          2HG       PRO  36   4.302   5.888   5.888
  244   1HD   PRO  36          1HD       PRO  36   4.585   8.652   8.652
  245   2HD   PRO  36          2HD       PRO  36   3.134   7.817   7.817
  246    HA   PRO  37           HA       PRO  37   2.861   5.639   5.639
  247   1HB   PRO  37          1HB       PRO  37   2.830   5.450   5.450
  248   2HB   PRO  37          2HB       PRO  37   4.267   5.060   5.060
  249   1HG   PRO  37          1HG       PRO  37   3.716   7.641   7.641
  250   2HG   PRO  37          2HG       PRO  37   5.206   6.659   6.659
  251   1HD   PRO  37          1HD       PRO  37   4.889   8.857   8.857
  252   2HD   PRO  37          2HD       PRO  37   5.790   7.415   7.415
  253    H    PHE  38           H        PHE  38   0.587   5.637   5.637
  254    HA   PHE  38           HA       PHE  38  -1.047   7.802   7.802
  255   1HB   PHE  38          1HB       PHE  38  -1.549   5.918   5.918
  256   2HB   PHE  38          2HB       PHE  38  -1.186   4.797   4.797
  257    HD1  PHE  38          1HD       PHE  38  -2.638   4.454   4.454
  258    HD2  PHE  38          2HD       PHE  38  -3.761   6.440   6.440
  259    HE1  PHE  38          1HE       PHE  38  -5.051   4.163   4.163
  260    HE2  PHE  38          2HE       PHE  38  -6.193   6.115   6.115
  261   1HZ   PHE  38           HZ       PHE  38  -6.818   4.971   4.971
  262    H    SER  39           H        SER  39  -2.187   8.685   8.685
  263    HA   SER  39           HA       SER  39  -2.109   7.413   7.413
  264   1HB   SER  39          1HB       SER  39  -3.145   9.634   9.634
  265   2HB   SER  39          2HB       SER  39  -1.445   9.714   9.714
  266    HG   SER  39           HG       SER  39  -3.708  10.112  10.112

  Start of MODEL    3
    1    HA   ASP   1           HA       ASP   1  -6.861  -9.818  -9.818
    2   1HB   ASP   1          1HB       ASP   1  -6.933  -7.686  -7.686
    3   2HB   ASP   1          2HB       ASP   1  -6.300  -7.108  -7.108
    4    H    GLU   2           H        GLU   2  -6.153  -8.246  -8.246
    5    HA   GLU   2           HA       GLU   2  -8.145  -6.408  -6.408
    6   1HB   GLU   2          1HB       GLU   2  -6.646  -8.564  -8.564
    7   2HB   GLU   2          2HB       GLU   2  -7.629  -7.281  -7.281
    8   1HG   GLU   2          1HG       GLU   2  -9.670  -8.218  -8.218
    9   2HG   GLU   2          2HG       GLU   2  -8.862  -9.310  -9.310
   10    H    CYS   3           H        CYS   3  -4.809  -7.680  -7.680
   11    HA   CYS   3           HA       CYS   3  -3.384  -5.507  -5.507
   12   1HB   CYS   3          1HB       CYS   3  -2.268  -7.473  -7.473
   13   2HB   CYS   3          2HB       CYS   3  -2.992  -7.183  -7.183
   14    H    ALA   4           H        ALA   4  -4.719  -5.893  -5.893
   15    HA   ALA   4           HA       ALA   4  -4.104  -3.393  -3.393
   16   1HB   ALA   4          1HB       ALA   4  -5.265  -5.330  -5.330
   17   2HB   ALA   4          2HB       ALA   4  -6.773  -4.814  -4.814
   18   3HB   ALA   4          3HB       ALA   4  -5.915  -3.729  -3.729
   19    H    ASN   5           H        ASN   5  -6.887  -4.258  -4.258
   20    HA   ASN   5           HA       ASN   5  -8.049  -1.645  -1.645
   21   1HB   ASN   5          1HB       ASN   5  -9.742  -2.311  -2.311
   22   2HB   ASN   5          2HB       ASN   5  -9.256  -3.813  -3.813
   23   1HD2  ASN   5          2HD2      ASN   5  -8.512  -3.547  -3.547
   24   2HD2  ASN   5          1HD2      ASN   5  -8.137  -2.128  -2.128
   25    H    ALA   6           H        ALA   6  -5.707  -3.140  -3.140
   26    HA   ALA   6           HA       ALA   6  -5.670  -1.016  -1.016
   27   1HB   ALA   6          2HB       ALA   6  -3.419  -2.899  -2.899
   28   2HB   ALA   6          3HB       ALA   6  -3.430  -1.836  -1.836
   29   3HB   ALA   6          1HB       ALA   6  -4.590  -3.190  -3.190
   30    H    ALA   7           H        ALA   7  -3.744  -1.594  -1.594
   31    HA   ALA   7           HA       ALA   7  -2.254   0.829   0.829
   32   1HB   ALA   7          1HB       ALA   7  -1.712  -1.117  -1.117
   33   2HB   ALA   7          2HB       ALA   7  -3.090  -0.629  -0.629
   34   3HB   ALA   7          3HB       ALA   7  -1.710   0.472   0.472
   35    H    ALA   8           H        ALA   8  -5.357   0.082   0.082
   36    HA   ALA   8           HA       ALA   8  -5.861   2.623   2.623
   37   1HB   ALA   8          3HB       ALA   8  -7.252   0.590   0.590
   38   2HB   ALA   8          1HB       ALA   8  -7.866   0.700   0.700
   39   3HB   ALA   8          2HB       ALA   8  -8.219   1.985   1.985
   40    H    GLN   9           H        GLN   9  -6.520   1.392   1.392
   41    HA   GLN   9           HA       GLN   9  -7.636   3.907   3.907
   42   1HB   GLN   9          1HB       GLN   9  -8.252   1.750   1.750
   43   2HB   GLN   9          2HB       GLN   9  -6.623   1.534   1.534
   44   1HG   GLN   9          1HG       GLN   9  -6.940   3.259   3.259
   45   2HG   GLN   9          2HG       GLN   9  -8.230   4.022   4.022
   46   1HE2  GLN   9          2HE2      GLN   9  -9.304   0.544   0.544
   47   2HE2  GLN   9          1HE2      GLN   9  -7.816   0.587   0.587
   48    H    CYS  10           H        CYS  10  -4.401   3.030   3.030
   49    HA   CYS  10           HA       CYS  10  -2.502   4.144   4.144
   50   1HB   CYS  10          1HB       CYS  10  -4.338   6.467   6.467
   51   2HB   CYS  10          2HB       CYS  10  -2.596   6.625   6.625
   52    H    SER  11           H        SER  11  -3.173   2.462   2.462
   53    HA   SER  11           HA       SER  11  -1.912   3.923   3.923
   54   1HB   SER  11          1HB       SER  11  -4.134   3.422   3.422
   55   2HB   SER  11          2HB       SER  11  -4.133   1.862   1.862
   56    HG   SER  11           HG       SER  11  -2.604   2.536   2.536
   57    H    ILE  12           H        ILE  12  -0.365   3.010   3.010
   58    HA   ILE  12           HA       ILE  12   1.234   1.073   1.073
   59    HB   ILE  12           HB       ILE  12   1.794   2.882   2.882
   60   1HG1  ILE  12          1HG1      ILE  12   1.376   4.223   4.223
   61   2HG1  ILE  12          2HG1      ILE  12   3.110   4.138   4.138
   62   1HG2  ILE  12          3HG2      ILE  12   3.651   1.110   1.110
   63   2HG2  ILE  12          1HG2      ILE  12   4.187   2.409   2.409
   64   3HG2  ILE  12          2HG2      ILE  12   3.308   1.014   1.014
   65   1HD1  ILE  12          3HD1      ILE  12   3.156   2.306   2.306
   66   2HD1  ILE  12          1HD1      ILE  12   1.465   2.749   2.749
   67   3HD1  ILE  12          2HD1      ILE  12   2.750   3.932   3.932
   68    H    THR  13           H        THR  13  -0.572   1.441   1.441
   69    HA   THR  13           HA       THR  13   0.479  -1.002  -1.002
   70    HB   THR  13           HB       THR  13  -2.175   0.289   0.289
   71    HG1  THR  13          1HG       THR  13   0.470   1.151   1.151
   72   1HG2  THR  13          1HG2      THR  13   0.045  -1.051  -1.051
   73   2HG2  THR  13          2HG2      THR  13  -1.472  -0.390  -0.390
   74   3HG2  THR  13          3HG2      THR  13  -1.509  -1.782  -1.782
   75    H    LEU  14           H        LEU  14  -2.518  -0.050  -0.050
   76    HA   LEU  14           HA       LEU  14  -3.462  -2.767  -2.767
   77   1HB   LEU  14          1HB       LEU  14  -4.109  -0.321  -0.321
   78   2HB   LEU  14          2HB       LEU  14  -4.792  -1.891  -1.891
   79    HG   LEU  14           HG       LEU  14  -5.012  -1.184  -1.184
   80   1HD1  LEU  14          1HD1      LEU  14  -6.204   0.645   0.645
   81   2HD1  LEU  14          2HD1      LEU  14  -6.986   0.385   0.385
   82   3HD1  LEU  14          3HD1      LEU  14  -5.367   1.073   1.073
   83   1HD2  LEU  14          3HD2      LEU  14  -6.094  -3.079  -3.079
   84   2HD2  LEU  14          1HD2      LEU  14  -7.275  -1.994  -1.994
   85   3HD2  LEU  14          2HD2      LEU  14  -7.010  -1.909  -1.909
   86    H    CYS  15           H        CYS  15  -1.310  -0.871  -0.871
   87    HA   CYS  15           HA       CYS  15  -0.967  -2.757  -2.757
   88   1HB   CYS  15          1HB       CYS  15   1.122  -0.988  -0.988
   89   2HB   CYS  15          2HB       CYS  15   1.527  -2.108  -2.108
   90    H    ASN  16           H        ASN  16   1.089  -2.482  -2.482
   91    HA   ASN  16           HA       ASN  16   2.225  -4.997  -4.997
   92   1HB   ASN  16          1HB       ASN  16   2.202  -3.542  -3.542
   93   2HB   ASN  16          2HB       ASN  16   3.352  -4.769  -4.769
   94   1HD2  ASN  16          2HD2      ASN  16   5.305  -1.795  -1.795
   95   2HD2  ASN  16          1HD2      ASN  16   4.738  -2.904  -2.904
   96    H    LEU  17           H        LEU  17  -0.835  -4.355  -4.355
   97    HA   LEU  17           HA       LEU  17  -1.107  -6.572  -6.572
   98   1HB   LEU  17          1HB       LEU  17  -2.687  -4.690  -4.690
   99   2HB   LEU  17          2HB       LEU  17  -3.260  -5.469  -5.469
  100    HG   LEU  17           HG       LEU  17  -4.650  -5.682  -5.682
  101   1HD1  LEU  17          3HD1      LEU  17  -4.872  -7.175  -7.175
  102   2HD1  LEU  17          1HD1      LEU  17  -3.766  -8.344  -8.344
  103   3HD1  LEU  17          2HD1      LEU  17  -5.324  -7.960  -7.960
  104   1HD2  LEU  17          2HD2      LEU  17  -2.823  -6.130  -6.130
  105   2HD2  LEU  17          3HD2      LEU  17  -4.162  -7.279  -7.279
  106   3HD2  LEU  17          1HD2      LEU  17  -2.647  -7.759  -7.759
  107    H    TYR  18           H        TYR  18  -1.605  -6.431  -6.431
  108    HA   TYR  18           HA       TYR  18  -1.398  -9.429  -9.429
  109   1HB   TYR  18          1HB       TYR  18  -3.390  -7.566  -7.566
  110   2HB   TYR  18          2HB       TYR  18  -3.121  -9.206  -9.206
  111    HD1  TYR  18          2HD       TYR  18  -2.908 -10.781 -10.781
  112    HD2  TYR  18          1HD       TYR  18  -5.696  -7.788  -7.788
  113    HE1  TYR  18          2HE       TYR  18  -4.600 -11.660 -11.660
  114    HE2  TYR  18          1HE       TYR  18  -7.449  -8.806  -8.806
  115    HH   TYR  18           HH       TYR  18  -7.929 -10.389 -10.389
  116    H    CYS  19           H        CYS  19  -0.126  -6.552  -6.552
  117    HA   CYS  19           HA       CYS  19  -0.127  -7.674  -7.674
  118   1HB   CYS  19          1HB       CYS  19   1.363  -5.358  -5.358
  119   2HB   CYS  19          2HB       CYS  19   1.550  -5.854  -5.854
  120    H    GLY  20           H        GLY  20   2.085  -8.207  -8.207
  121   1HA   GLY  20          1HA       GLY  20   4.043  -9.354  -9.354
  122   2HA   GLY  20          2HA       GLY  20   3.366 -10.424 -10.424
  123    HA   PRO  21           HA       PRO  21   7.015  -8.854  -8.854
  124   1HB   PRO  21          1HB       PRO  21   6.496  -9.911  -9.911
  125   2HB   PRO  21          2HB       PRO  21   7.066 -10.896 -10.896
  126   1HG   PRO  21          1HG       PRO  21   4.226 -10.559 -10.559
  127   2HG   PRO  21          2HG       PRO  21   5.070 -12.067 -12.067
  128   1HD   PRO  21          1HD       PRO  21   3.396 -10.833 -10.833
  129   2HD   PRO  21          2HD       PRO  21   4.863 -11.656 -11.656
  130    H    LEU  22           H        LEU  22   3.652  -8.565  -8.565
  131    HA   LEU  22           HA       LEU  22   4.182  -6.462  -6.462
  132   1HB   LEU  22          1HB       LEU  22   1.552  -6.989  -6.989
  133   2HB   LEU  22          2HB       LEU  22   1.812  -6.230  -6.230
  134    HG   LEU  22           HG       LEU  22   2.261  -9.179  -9.179
  135   1HD1  LEU  22          3HD1      LEU  22  -0.103  -8.504  -8.504
  136   2HD1  LEU  22          1HD1      LEU  22   0.104  -7.787  -7.787
  137   3HD1  LEU  22          2HD1      LEU  22   0.285  -9.540  -9.540
  138   1HD2  LEU  22          3HD2      LEU  22   2.463  -7.668  -7.668
  139   2HD2  LEU  22          1HD2      LEU  22   3.802  -8.452  -8.452
  140   3HD2  LEU  22          2HD2      LEU  22   2.491  -9.435  -9.435
  141    H    ILE  23           H        ILE  23   4.429  -6.437  -6.437
  142    HA   ILE  23           HA       ILE  23   3.268  -3.949  -3.949
  143    HB   ILE  23           HB       ILE  23   5.764  -5.347  -5.347
  144   1HG1  ILE  23          1HG1      ILE  23   3.028  -4.766  -4.766
  145   2HG1  ILE  23          2HG1      ILE  23   3.403  -6.261  -6.261
  146   1HG2  ILE  23          1HG2      ILE  23   4.416  -2.775  -2.775
  147   2HG2  ILE  23          2HG2      ILE  23   5.587  -3.654  -3.654
  148   3HG2  ILE  23          3HG2      ILE  23   6.105  -2.951  -2.951
  149   1HD1  ILE  23          2HD1      ILE  23   5.319  -6.606  -6.606
  150   2HD1  ILE  23          3HD1      ILE  23   4.595  -5.287  -5.287
  151   3HD1  ILE  23          1HD1      ILE  23   3.675  -6.774  -6.774
  152    H    GLU  24           H        GLU  24   6.352  -4.770  -4.770
  153    HA   GLU  24           HA       GLU  24   7.343  -2.095  -2.095
  154   1HB   GLU  24          1HB       GLU  24   8.803  -4.055  -4.055
  155   2HB   GLU  24          2HB       GLU  24   7.727  -4.461  -4.461
  156   1HG   GLU  24          1HG       GLU  24   8.353  -2.354  -2.354
  157   2HG   GLU  24          2HG       GLU  24   9.405  -1.940  -1.940
  158    H    ILE  25           H        ILE  25   5.733  -3.684  -3.684
  159    HA   ILE  25           HA       ILE  25   5.335  -1.337  -1.337
  160    HB   ILE  25           HB       ILE  25   3.461  -3.729  -3.729
  161   1HG1  ILE  25          1HG1      ILE  25   5.510  -4.704  -4.704
  162   2HG1  ILE  25          2HG1      ILE  25   4.581  -4.577  -4.577
  163   1HG2  ILE  25          3HG2      ILE  25   3.646  -1.660  -1.660
  164   2HG2  ILE  25          1HG2      ILE  25   2.717  -3.178  -3.178
  165   3HG2  ILE  25          2HG2      ILE  25   2.283  -1.964  -1.964
  166   1HD1  ILE  25          1HD1      ILE  25   5.896  -2.426  -2.426
  167   2HD1  ILE  25          2HD1      ILE  25   6.926  -2.836  -2.836
  168   3HD1  ILE  25          3HD1      ILE  25   6.837  -3.926  -3.926
  169    H    CYS  26           H        CYS  26   3.672  -2.448  -2.448
  170    HA   CYS  26           HA       CYS  26   1.329  -0.821  -0.821
  171   1HB   CYS  26          1HB       CYS  26   1.579  -2.871  -2.871
  172   2HB   CYS  26          2HB       CYS  26   2.360  -1.816  -1.816
  173    H    GLU  27           H        GLU  27   4.425  -0.567  -0.567
  174    HA   GLU  27           HA       GLU  27   3.873   1.946   1.946
  175   1HB   GLU  27          1HB       GLU  27   5.760   0.166   0.166
  176   2HB   GLU  27          2HB       GLU  27   6.621   0.951   0.951
  177   1HG   GLU  27          1HG       GLU  27   6.461   3.122   3.122
  178   2HG   GLU  27          2HG       GLU  27   5.588   2.297   2.297
  179    H    LEU  28           H        LEU  28   5.418   0.894   0.894
  180    HA   LEU  28           HA       LEU  28   6.263   3.451   3.451
  181   1HB   LEU  28          1HB       LEU  28   6.119   0.662   0.662
  182   2HB   LEU  28          2HB       LEU  28   6.015   1.817   1.817
  183    HG   LEU  28           HG       LEU  28   8.311   1.054   1.054
  184   1HD1  LEU  28          2HD1      LEU  28   7.758   4.023   4.023
  185   2HD1  LEU  28          3HD1      LEU  28   9.362   3.343   3.343
  186   3HD1  LEU  28          1HD1      LEU  28   8.096   3.176   3.176
  187   1HD2  LEU  28          3HD2      LEU  28   8.159   0.695   0.695
  188   2HD2  LEU  28          1HD2      LEU  28   9.536   1.711   1.711
  189   3HD2  LEU  28          2HD2      LEU  28   8.095   2.447   2.447
  190    H    THR  29           H        THR  29   3.313   1.683   1.683
  191    HA   THR  29           HA       THR  29   2.339   3.619   3.619
  192    HB   THR  29           HB       THR  29   0.899   1.541   1.541
  193    HG1  THR  29          1HG       THR  29   2.432   0.677   0.677
  194   1HG2  THR  29          1HG2      THR  29  -0.053   3.099   3.099
  195   2HG2  THR  29          2HG2      THR  29  -0.870   1.666   1.666
  196   3HG2  THR  29          3HG2      THR  29  -0.732   3.134   3.134
  197    H    VAL  30           H        VAL  30   1.733   3.017   3.017
  198    HA   VAL  30           HA       VAL  30  -0.067   5.198   5.198
  199    HB   VAL  30           HB       VAL  30   1.702   3.748   3.748
  200   1HG1  VAL  30          1HG1      VAL  30  -0.654   5.626   5.626
  201   2HG1  VAL  30          2HG1      VAL  30   0.172   4.661   4.661
  202   3HG1  VAL  30          3HG1      VAL  30   1.025   5.968   5.968
  203   1HG2  VAL  30          2HG2      VAL  30  -1.215   3.516   3.516
  204   2HG2  VAL  30          3HG2      VAL  30  -0.010   2.284   2.284
  205   3HG2  VAL  30          1HG2      VAL  30  -0.546   2.672   2.672
  206    H    MET  31           H        MET  31   3.533   5.085   5.085
  207    HA   MET  31           HA       MET  31   3.884   7.748   7.748
  208   1HB   MET  31          1HB       MET  31   5.462   5.718   5.718
  209   2HB   MET  31          2HB       MET  31   6.059   7.319   7.319
  210   1HG   MET  31          1HG       MET  31   5.528   6.265   6.265
  211   2HG   MET  31          2HG       MET  31   7.098   6.463   6.463
  212   1HE   MET  31          3HE       MET  31   6.634   7.551   7.551
  213   2HE   MET  31          1HE       MET  31   8.119   8.141   8.141
  214   3HE   MET  31          2HE       MET  31   7.001   9.292   9.292
  215    H    GLN  32           H        GLN  32   3.232   6.331   6.331
  216    HA   GLN  32           HA       GLN  32   3.774   8.703   8.703
  217   1HB   GLN  32          1HB       GLN  32   3.619   6.207   6.207
  218   2HB   GLN  32          2HB       GLN  32   1.896   6.553   6.553
  219   1HG   GLN  32          1HG       GLN  32   2.603   7.035   7.035
  220   2HG   GLN  32          2HG       GLN  32   2.598   8.645   8.645
  221   1HE2  GLN  32          2HE2      GLN  32   6.116   9.069   9.069
  222   2HE2  GLN  32          1HE2      GLN  32   4.609   9.789   9.789
  223    H    ASN  33           H        ASN  33   0.758   7.204   7.204
  224    HA   ASN  33           HA       ASN  33  -0.812   9.436   9.436
  225   1HB   ASN  33          1HB       ASN  33  -2.702   7.826   7.826
  226   2HB   ASN  33          2HB       ASN  33  -2.247   7.866   7.866
  227   1HD2  ASN  33          2HD2      ASN  33  -1.561   4.528   4.528
  228   2HD2  ASN  33          1HD2      ASN  33  -2.331   5.912   5.912
  229    H    CYS  34           H        CYS  34   0.583   8.830   8.830
  230    HA   CYS  34           HA       CYS  34  -1.290  10.684  10.684
  231   1HB   CYS  34          1HB       CYS  34  -0.882   7.734   7.734
  232   2HB   CYS  34          2HB       CYS  34  -1.324   8.794   8.794
  233    H    GLU  35           H        GLU  35  -0.459  10.808  10.808
  234    HA   GLU  35           HA       GLU  35   2.520  10.917  10.917
  235   1HB   GLU  35          1HB       GLU  35   1.370  13.122  13.122
  236   2HB   GLU  35          2HB       GLU  35   0.577  12.646  12.646
  237   1HG   GLU  35          1HG       GLU  35   2.585  14.046  14.046
  238   2HG   GLU  35          2HG       GLU  35   2.822  12.426  12.426
  239    HA   PRO  36           HA       PRO  36   1.294   7.859   7.859
  240   1HB   PRO  36          1HB       PRO  36   3.331   6.049   6.049
  241   2HB   PRO  36          2HB       PRO  36   1.758   6.051   6.051
  242   1HG   PRO  36          1HG       PRO  36   4.418   7.228   7.228
  243   2HG   PRO  36          2HG       PRO  36   3.347   6.225   6.225
  244   1HD   PRO  36          1HD       PRO  36   3.455   8.977   8.977
  245   2HD   PRO  36          2HD       PRO  36   1.946   8.087   8.087
  246    HA   PRO  37           HA       PRO  37   2.524   6.099   6.099
  247   1HB   PRO  37          1HB       PRO  37   2.975   5.915   5.915
  248   2HB   PRO  37          2HB       PRO  37   4.250   5.547   5.547
  249   1HG   PRO  37          1HG       PRO  37   3.820   8.140   8.140
  250   2HG   PRO  37          2HG       PRO  37   5.347   7.228   7.228
  251   1HD   PRO  37          1HD       PRO  37   4.746   9.337   9.337
  252   2HD   PRO  37          2HD       PRO  37   5.541   7.884   7.884
  253    H    PHE  38           H        PHE  38   0.359   5.857   5.857
  254    HA   PHE  38           HA       PHE  38  -1.177   8.167   8.167
  255   1HB   PHE  38          1HB       PHE  38  -1.688   6.016   6.016
  256   2HB   PHE  38          2HB       PHE  38  -1.670   5.290   5.290
  257    HD1  PHE  38          1HD       PHE  38  -3.397   5.811   5.811
  258    HD2  PHE  38          2HD       PHE  38  -3.703   6.648   6.648
  259    HE1  PHE  38          1HE       PHE  38  -5.873   5.408   5.408
  260    HE2  PHE  38          2HE       PHE  38  -6.172   6.417   6.417
  261   1HZ   PHE  38           HZ       PHE  38  -7.259   5.746   5.746
  262    H    SER  39           H        SER  39  -2.298   9.315   9.315
  263    HA   SER  39           HA       SER  39  -1.028   9.474   9.474
  264   1HB   SER  39          1HB       SER  39  -3.157  11.156  11.156
  265   2HB   SER  39          2HB       SER  39  -2.408  11.522  11.522
  266    HG   SER  39           HG       SER  39  -0.986  11.207  11.207

  Start of MODEL    4
    1    HA   ASP   1           HA       ASP   1  -7.510  -9.122  -9.122
    2   1HB   ASP   1          1HB       ASP   1  -5.078  -9.308  -9.308
    3   2HB   ASP   1          2HB       ASP   1  -5.373  -9.593  -9.593
    4    H    GLU   2           H        GLU   2  -6.452  -8.705  -8.705
    5    HA   GLU   2           HA       GLU   2  -7.666  -6.196  -6.196
    6   1HB   GLU   2          1HB       GLU   2  -7.581  -8.708  -8.708
    7   2HB   GLU   2          2HB       GLU   2  -6.384  -7.837  -7.837
    8   1HG   GLU   2          1HG       GLU   2  -8.445  -7.444  -7.444
    9   2HG   GLU   2          2HG       GLU   2  -8.196  -5.979  -5.979
   10    H    CYS   3           H        CYS   3  -4.512  -7.018  -7.018
   11    HA   CYS   3           HA       CYS   3  -3.091  -5.370  -5.370
   12   1HB   CYS   3          1HB       CYS   3  -1.878  -7.261  -7.261
   13   2HB   CYS   3          2HB       CYS   3  -2.255  -6.919  -6.919
   14    H    ALA   4           H        ALA   4  -3.792  -5.413  -5.413
   15    HA   ALA   4           HA       ALA   4  -3.221  -2.731  -2.731
   16   1HB   ALA   4          1HB       ALA   4  -3.737  -4.516  -4.516
   17   2HB   ALA   4          2HB       ALA   4  -5.408  -4.594  -4.594
   18   3HB   ALA   4          3HB       ALA   4  -4.818  -3.131  -3.131
   19    H    ASN   5           H        ASN   5  -6.099  -4.232  -4.232
   20    HA   ASN   5           HA       ASN   5  -7.640  -1.851  -1.851
   21   1HB   ASN   5          1HB       ASN   5  -8.388  -4.270  -4.270
   22   2HB   ASN   5          2HB       ASN   5  -7.834  -4.036  -4.036
   23   1HD2  ASN   5          2HD2      ASN   5 -11.463  -3.242  -3.242
   24   2HD2  ASN   5          1HD2      ASN   5 -10.419  -4.667  -4.667
   25    H    ALA   6           H        ALA   6  -5.353  -3.182  -3.182
   26    HA   ALA   6           HA       ALA   6  -5.624  -1.115  -1.115
   27   1HB   ALA   6          2HB       ALA   6  -4.251  -3.133  -3.133
   28   2HB   ALA   6          3HB       ALA   6  -3.064  -2.581  -2.581
   29   3HB   ALA   6          1HB       ALA   6  -3.358  -1.624  -1.624
   30    H    ALA   7           H        ALA   7  -3.561  -1.318  -1.318
   31    HA   ALA   7           HA       ALA   7  -2.319   1.203   1.203
   32   1HB   ALA   7          3HB       ALA   7  -1.614  -0.476  -0.476
   33   2HB   ALA   7          1HB       ALA   7  -3.063  -0.079  -0.079
   34   3HB   ALA   7          2HB       ALA   7  -1.833   1.158   1.158
   35    H    ALA   8           H        ALA   8  -5.396   0.380   0.380
   36    HA   ALA   8           HA       ALA   8  -6.078   3.059   3.059
   37   1HB   ALA   8          1HB       ALA   8  -7.876   0.683   0.683
   38   2HB   ALA   8          2HB       ALA   8  -8.383   2.193   2.193
   39   3HB   ALA   8          3HB       ALA   8  -7.193   1.141   1.141
   40    H    GLN   9           H        GLN   9  -6.502   1.272   1.272
   41    HA   GLN   9           HA       GLN   9  -8.094   3.382   3.382
   42   1HB   GLN   9          1HB       GLN   9  -7.893   0.883   0.883
   43   2HB   GLN   9          2HB       GLN   9  -6.525   1.432   1.432
   44   1HG   GLN   9          1HG       GLN   9  -8.189   3.237   3.237
   45   2HG   GLN   9          2HG       GLN   9  -9.457   2.376   2.376
   46   1HE2  GLN   9          2HE2      GLN   9  -9.120  -0.556  -0.556
   47   2HE2  GLN   9          1HE2      GLN   9  -9.152  -0.266  -0.266
   48    H    CYS  10           H        CYS  10  -4.696   2.804   2.804
   49    HA   CYS  10           HA       CYS  10  -2.849   4.023   4.023
   50   1HB   CYS  10          1HB       CYS  10  -4.835   6.288   6.288
   51   2HB   CYS  10          2HB       CYS  10  -3.155   6.579   6.579
   52    H    SER  11           H        SER  11  -2.869   2.458   2.458
   53    HA   SER  11           HA       SER  11  -1.695   4.003   4.003
   54   1HB   SER  11          1HB       SER  11  -3.960   3.573   3.573
   55   2HB   SER  11          2HB       SER  11  -3.941   1.930   1.930
   56    HG   SER  11           HG       SER  11  -3.544   2.317   2.317
   57    H    ILE  12           H        ILE  12   0.046   3.253   3.253
   58    HA   ILE  12           HA       ILE  12   1.392   1.070   1.070
   59    HB   ILE  12           HB       ILE  12   2.157   2.802   2.802
   60   1HG1  ILE  12          1HG1      ILE  12   1.679   4.251   4.251
   61   2HG1  ILE  12          2HG1      ILE  12   3.417   4.058   4.058
   62   1HG2  ILE  12          1HG2      ILE  12   3.836   1.015   1.015
   63   2HG2  ILE  12          2HG2      ILE  12   4.493   2.220   2.220
   64   3HG2  ILE  12          3HG2      ILE  12   3.576   0.839   0.839
   65   1HD1  ILE  12          2HD1      ILE  12   3.154   2.275   2.275
   66   2HD1  ILE  12          3HD1      ILE  12   1.494   2.878   2.878
   67   3HD1  ILE  12          1HD1      ILE  12   2.857   3.959   3.959
   68    H    THR  13           H        THR  13  -0.408   1.559   1.559
   69    HA   THR  13           HA       THR  13   0.621  -0.824  -0.824
   70    HB   THR  13           HB       THR  13  -1.999   0.663   0.663
   71    HG1  THR  13          1HG       THR  13   0.688   1.186   1.186
   72   1HG2  THR  13          1HG2      THR  13  -0.193  -0.980  -0.980
   73   2HG2  THR  13          2HG2      THR  13  -1.619  -0.056  -0.056
   74   3HG2  THR  13          3HG2      THR  13  -1.807  -1.440  -1.440
   75    H    LEU  14           H        LEU  14  -2.363   0.042   0.042
   76    HA   LEU  14           HA       LEU  14  -3.317  -2.685  -2.685
   77   1HB   LEU  14          1HB       LEU  14  -4.106  -0.233  -0.233
   78   2HB   LEU  14          2HB       LEU  14  -4.756  -1.810  -1.810
   79    HG   LEU  14           HG       LEU  14  -4.758  -0.912  -0.912
   80   1HD1  LEU  14          1HD1      LEU  14  -6.481   0.216   0.216
   81   2HD1  LEU  14          2HD1      LEU  14  -6.967   0.249   0.249
   82   3HD1  LEU  14          3HD1      LEU  14  -5.516   1.119   1.119
   83   1HD2  LEU  14          3HD2      LEU  14  -5.557  -3.134  -3.134
   84   2HD2  LEU  14          1HD2      LEU  14  -6.853  -2.163  -2.163
   85   3HD2  LEU  14          2HD2      LEU  14  -6.732  -2.270  -2.270
   86    H    CYS  15           H        CYS  15  -1.141  -0.886  -0.886
   87    HA   CYS  15           HA       CYS  15  -0.971  -2.851  -2.851
   88   1HB   CYS  15          1HB       CYS  15   1.191  -1.052  -1.052
   89   2HB   CYS  15          2HB       CYS  15   1.502  -2.205  -2.205
   90    H    ASN  16           H        ASN  16   1.172  -2.438  -2.438
   91    HA   ASN  16           HA       ASN  16   2.396  -4.930  -4.930
   92   1HB   ASN  16          1HB       ASN  16   2.182  -3.513  -3.513
   93   2HB   ASN  16          2HB       ASN  16   3.418  -4.657  -4.657
   94   1HD2  ASN  16          2HD2      ASN  16   4.917  -1.259  -1.259
   95   2HD2  ASN  16          1HD2      ASN  16   4.285  -2.294  -2.294
   96    H    LEU  17           H        LEU  17  -0.607  -4.207  -4.207
   97    HA   LEU  17           HA       LEU  17  -0.946  -6.394  -6.394
   98   1HB   LEU  17          1HB       LEU  17  -2.460  -4.430  -4.430
   99   2HB   LEU  17          2HB       LEU  17  -3.146  -5.263  -5.263
  100    HG   LEU  17           HG       LEU  17  -4.472  -5.268  -5.268
  101   1HD1  LEU  17          1HD1      LEU  17  -4.771  -7.033  -7.033
  102   2HD1  LEU  17          2HD1      LEU  17  -3.730  -8.109  -8.109
  103   3HD1  LEU  17          3HD1      LEU  17  -5.253  -7.507  -7.507
  104   1HD2  LEU  17          3HD2      LEU  17  -2.608  -5.436  -5.436
  105   2HD2  LEU  17          1HD2      LEU  17  -3.920  -6.592  -6.592
  106   3HD2  LEU  17          2HD2      LEU  17  -2.406  -7.149  -7.149
  107    H    TYR  18           H        TYR  18  -1.463  -6.363  -6.363
  108    HA   TYR  18           HA       TYR  18  -1.562  -9.366  -9.366
  109   1HB   TYR  18          1HB       TYR  18  -3.296  -7.437  -7.437
  110   2HB   TYR  18          2HB       TYR  18  -3.177  -9.146  -9.146
  111    HD1  TYR  18          1HD       TYR  18  -3.266 -10.341 -10.341
  112    HD2  TYR  18          2HD       TYR  18  -5.651  -7.389  -7.389
  113    HE1  TYR  18          1HE       TYR  18  -5.155 -10.847 -10.847
  114    HE2  TYR  18          2HE       TYR  18  -7.571  -7.957  -7.957
  115    HH   TYR  18           HH       TYR  18  -7.341 -10.394 -10.394
  116    H    CYS  19           H        CYS  19  -0.039  -6.649  -6.649
  117    HA   CYS  19           HA       CYS  19  -0.157  -7.740  -7.740
  118   1HB   CYS  19          1HB       CYS  19   1.499  -5.569  -5.569
  119   2HB   CYS  19          2HB       CYS  19   1.701  -6.056  -6.056
  120    H    GLY  20           H        GLY  20   2.254  -8.365  -8.365
  121   1HA   GLY  20          1HA       GLY  20   4.156  -9.617  -9.617
  122   2HA   GLY  20          2HA       GLY  20   3.356 -10.619 -10.619
  123    HA   PRO  21           HA       PRO  21   6.954  -9.018  -9.018
  124   1HB   PRO  21          1HB       PRO  21   6.277 -10.016 -10.016
  125   2HB   PRO  21          2HB       PRO  21   6.989 -11.023 -11.023
  126   1HG   PRO  21          1HG       PRO  21   4.082 -10.788 -10.788
  127   2HG   PRO  21          2HG       PRO  21   5.018 -12.263 -12.263
  128   1HD   PRO  21          1HD       PRO  21   3.397 -11.084 -11.084
  129   2HD   PRO  21          2HD       PRO  21   4.930 -11.860 -11.860
  130    H    LEU  22           H        LEU  22   3.552  -8.698  -8.698
  131    HA   LEU  22           HA       LEU  22   4.032  -6.560  -6.560
  132   1HB   LEU  22          1HB       LEU  22   1.533  -7.174  -7.174
  133   2HB   LEU  22          2HB       LEU  22   1.637  -6.248  -6.248
  134    HG   LEU  22           HG       LEU  22   2.131  -9.249  -9.249
  135   1HD1  LEU  22          1HD1      LEU  22  -0.142  -7.577  -7.577
  136   2HD1  LEU  22          2HD1      LEU  22   0.003  -9.334  -9.334
  137   3HD1  LEU  22          3HD1      LEU  22  -0.186  -8.618  -8.618
  138   1HD2  LEU  22          1HD2      LEU  22   2.180  -7.460  -7.460
  139   2HD2  LEU  22          2HD2      LEU  22   3.538  -8.404  -8.404
  140   3HD2  LEU  22          3HD2      LEU  22   2.138  -9.237  -9.237
  141    H    ILE  23           H        ILE  23   4.401  -6.525  -6.525
  142    HA   ILE  23           HA       ILE  23   3.252  -4.059  -4.059
  143    HB   ILE  23           HB       ILE  23   5.834  -5.467  -5.467
  144   1HG1  ILE  23          1HG1      ILE  23   3.231  -4.840  -4.840
  145   2HG1  ILE  23          2HG1      ILE  23   3.542  -6.367  -6.367
  146   1HG2  ILE  23          1HG2      ILE  23   4.694  -2.876  -2.876
  147   2HG2  ILE  23          2HG2      ILE  23   5.945  -3.848  -3.848
  148   3HG2  ILE  23          3HG2      ILE  23   6.294  -3.097  -3.097
  149   1HD1  ILE  23          3HD1      ILE  23   5.517  -6.725  -6.725
  150   2HD1  ILE  23          1HD1      ILE  23   4.907  -5.360  -5.360
  151   3HD1  ILE  23          2HD1      ILE  23   3.912  -6.803  -6.803
  152    H    GLU  24           H        GLU  24   6.115  -4.799  -4.799
  153    HA   GLU  24           HA       GLU  24   7.023  -2.100  -2.100
  154   1HB   GLU  24          1HB       GLU  24   8.256  -4.374  -4.374
  155   2HB   GLU  24          2HB       GLU  24   7.465  -4.400  -4.400
  156   1HG   GLU  24          1HG       GLU  24   8.629  -2.304  -2.304
  157   2HG   GLU  24          2HG       GLU  24   9.440  -2.253  -2.253
  158    H    ILE  25           H        ILE  25   5.362  -3.857  -3.857
  159    HA   ILE  25           HA       ILE  25   4.936  -1.500  -1.500
  160    HB   ILE  25           HB       ILE  25   3.340  -4.075  -4.075
  161   1HG1  ILE  25          1HG1      ILE  25   5.639  -4.235  -4.235
  162   2HG1  ILE  25          2HG1      ILE  25   4.307  -4.805  -4.805
  163   1HG2  ILE  25          1HG2      ILE  25   2.801  -1.822  -1.822
  164   2HG2  ILE  25          2HG2      ILE  25   2.222  -3.493  -3.493
  165   3HG2  ILE  25          3HG2      ILE  25   1.691  -2.548  -2.548
  166   1HD1  ILE  25          1HD1      ILE  25   4.382  -2.715  -2.715
  167   2HD1  ILE  25          2HD1      ILE  25   5.711  -2.109  -2.109
  168   3HD1  ILE  25          3HD1      ILE  25   5.934  -3.541  -3.541
  169    H    CYS  26           H        CYS  26   3.256  -2.665  -2.665
  170    HA   CYS  26           HA       CYS  26   0.913  -1.012  -1.012
  171   1HB   CYS  26          1HB       CYS  26   1.149  -3.025  -3.025
  172   2HB   CYS  26          2HB       CYS  26   2.081  -2.106  -2.106
  173    H    GLU  27           H        GLU  27   4.017  -0.755  -0.755
  174    HA   GLU  27           HA       GLU  27   3.259   1.802   1.802
  175   1HB   GLU  27          1HB       GLU  27   4.835   0.236   0.236
  176   2HB   GLU  27          2HB       GLU  27   6.016   0.536   0.536
  177   1HG   GLU  27          1HG       GLU  27   6.216   2.858   2.858
  178   2HG   GLU  27          2HG       GLU  27   4.800   2.796   2.796
  179    H    LEU  28           H        LEU  28   4.964   0.700   0.700
  180    HA   LEU  28           HA       LEU  28   5.940   3.247   3.247
  181   1HB   LEU  28          1HB       LEU  28   5.612   0.494   0.494
  182   2HB   LEU  28          2HB       LEU  28   5.525   1.684   1.684
  183    HG   LEU  28           HG       LEU  28   7.774   0.743   0.743
  184   1HD1  LEU  28          2HD1      LEU  28   7.556   2.980   2.980
  185   2HD1  LEU  28          3HD1      LEU  28   7.644   3.737   3.737
  186   3HD1  LEU  28          1HD1      LEU  28   9.040   2.864   2.864
  187   1HD2  LEU  28          1HD2      LEU  28   7.710   0.425   0.425
  188   2HD2  LEU  28          2HD2      LEU  28   9.142   1.302   1.302
  189   3HD2  LEU  28          3HD2      LEU  28   7.814   2.181   2.181
  190    H    THR  29           H        THR  29   2.970   1.475   1.475
  191    HA   THR  29           HA       THR  29   1.904   3.481   3.481
  192    HB   THR  29           HB       THR  29   0.435   1.532   1.532
  193    HG1  THR  29          1HG       THR  29   1.878   0.537   0.537
  194   1HG2  THR  29          1HG2      THR  29  -0.501   2.958   2.958
  195   2HG2  THR  29          2HG2      THR  29  -1.396   1.685   1.685
  196   3HG2  THR  29          3HG2      THR  29  -1.113   3.238   3.238
  197    H    VAL  30           H        VAL  30   1.576   3.018   3.018
  198    HA   VAL  30           HA       VAL  30  -0.153   5.281   5.281
  199    HB   VAL  30           HB       VAL  30   1.661   3.807   3.807
  200   1HG1  VAL  30          1HG1      VAL  30   1.110   6.110   6.110
  201   2HG1  VAL  30          2HG1      VAL  30  -0.609   5.732   5.732
  202   3HG1  VAL  30          3HG1      VAL  30   0.374   4.812   4.812
  203   1HG2  VAL  30          2HG2      VAL  30  -0.231   2.466   2.466
  204   2HG2  VAL  30          3HG2      VAL  30  -0.491   2.783   2.783
  205   3HG2  VAL  30          1HG2      VAL  30  -1.348   3.728   3.728
  206    H    MET  31           H        MET  31   3.455   5.034   5.034
  207    HA   MET  31           HA       MET  31   4.010   7.685   7.685
  208   1HB   MET  31          1HB       MET  31   5.390   5.568   5.568
  209   2HB   MET  31          2HB       MET  31   6.077   7.156   7.156
  210   1HG   MET  31          1HG       MET  31   6.151   7.599   7.599
  211   2HG   MET  31          2HG       MET  31   5.570   5.945   5.945
  212   1HE   MET  31          1HE       MET  31   8.199   7.430   7.430
  213   2HE   MET  31          2HE       MET  31   7.645   5.810   5.810
  214   3HE   MET  31          3HE       MET  31   9.332   6.066   6.066
  215    H    GLN  32           H        GLN  32   3.469   6.174   6.174
  216    HA   GLN  32           HA       GLN  32   4.038   8.307   8.307
  217   1HB   GLN  32          1HB       GLN  32   3.400   5.750   5.750
  218   2HB   GLN  32          2HB       GLN  32   1.816   6.462   6.462
  219   1HG   GLN  32          1HG       GLN  32   2.702   6.488   6.488
  220   2HG   GLN  32          2HG       GLN  32   3.162   8.110   8.110
  221   1HE2  GLN  32          2HE2      GLN  32   6.709   7.167   7.167
  222   2HE2  GLN  32          1HE2      GLN  32   5.538   8.340   8.340
  223    H    ASN  33           H        ASN  33   1.042   7.705   7.705
  224    HA   ASN  33           HA       ASN  33  -0.346   9.867   9.867
  225   1HB   ASN  33          1HB       ASN  33  -2.051   8.483   8.483
  226   2HB   ASN  33          2HB       ASN  33  -0.804   7.235   7.235
  227   1HD2  ASN  33          2HD2      ASN  33  -2.289   5.672   5.672
  228   2HD2  ASN  33          1HD2      ASN  33  -0.744   5.998   5.998
  229    H    CYS  34           H        CYS  34   0.413   8.750   8.750
  230    HA   CYS  34           HA       CYS  34  -1.415  10.612  10.612
  231   1HB   CYS  34          1HB       CYS  34  -0.782   7.674   7.674
  232   2HB   CYS  34          2HB       CYS  34  -1.350   8.696   8.696
  233    H    GLU  35           H        GLU  35  -0.268  10.854  10.854
  234    HA   GLU  35           HA       GLU  35   2.688  10.665  10.665
  235   1HB   GLU  35          1HB       GLU  35   1.084  12.967  12.967
  236   2HB   GLU  35          2HB       GLU  35   1.980  12.681  12.681
  237   1HG   GLU  35          1HG       GLU  35   3.146  12.788  12.788
  238   2HG   GLU  35          2HG       GLU  35   3.168  14.130  14.130
  239    HA   PRO  36           HA       PRO  36   1.604   8.026   8.026
  240   1HB   PRO  36          1HB       PRO  36   3.450   6.037   6.037
  241   2HB   PRO  36          2HB       PRO  36   1.873   6.186   6.186
  242   1HG   PRO  36          1HG       PRO  36   4.641   7.038   7.038
  243   2HG   PRO  36          2HG       PRO  36   3.422   6.149   6.149
  244   1HD   PRO  36          1HD       PRO  36   3.854   8.872   8.872
  245   2HD   PRO  36          2HD       PRO  36   2.262   8.139   8.139
  246    HA   PRO  37           HA       PRO  37   2.873   6.058   6.058
  247   1HB   PRO  37          1HB       PRO  37   3.199   6.027   6.027
  248   2HB   PRO  37          2HB       PRO  37   4.492   5.536   5.536
  249   1HG   PRO  37          1HG       PRO  37   4.122   8.254   8.254
  250   2HG   PRO  37          2HG       PRO  37   5.601   7.245   7.245
  251   1HD   PRO  37          1HD       PRO  37   5.263   9.216   9.216
  252   2HD   PRO  37          2HD       PRO  37   5.905   7.636   7.636
  253    H    PHE  38           H        PHE  38   0.690   5.853   5.853
  254    HA   PHE  38           HA       PHE  38  -0.936   8.033   8.033
  255   1HB   PHE  38          1HB       PHE  38  -1.738   6.062   6.062
  256   2HB   PHE  38          2HB       PHE  38  -1.080   5.129   5.129
  257    HD1  PHE  38          2HD       PHE  38  -3.687   7.646   7.646
  258    HD2  PHE  38          1HD       PHE  38  -2.424   4.319   4.319
  259    HE1  PHE  38          2HE       PHE  38  -5.859   7.728   7.728
  260    HE2  PHE  38          1HE       PHE  38  -4.668   4.246   4.246
  261   1HZ   PHE  38           HZ       PHE  38  -6.353   5.999   5.999
  262    H    SER  39           H        SER  39  -2.229   9.105   9.105
  263    HA   SER  39           HA       SER  39  -1.003  10.191  10.191
  264   1HB   SER  39          1HB       SER  39  -4.008  10.062  10.062
  265   2HB   SER  39          2HB       SER  39  -3.047  11.385  11.385
  266    HG   SER  39           HG       SER  39  -2.054  11.564  11.564

  Start of MODEL    5
    1    HA   ASP   1           HA       ASP   1  -7.441  -9.165  -9.165
    2   1HB   ASP   1          1HB       ASP   1  -5.429  -8.956  -8.956
    3   2HB   ASP   1          2HB       ASP   1  -4.995  -7.463  -7.463
    4    H    GLU   2           H        GLU   2  -6.764  -8.676  -8.676
    5    HA   GLU   2           HA       GLU   2  -8.019  -6.251  -6.251
    6   1HB   GLU   2          1HB       GLU   2  -6.926  -8.846  -8.846
    7   2HB   GLU   2          2HB       GLU   2  -6.795  -7.389  -7.389
    8   1HG   GLU   2          1HG       GLU   2  -8.780  -8.258  -8.258
    9   2HG   GLU   2          2HG       GLU   2  -9.292  -6.995  -6.995
   10    H    CYS   3           H        CYS   3  -4.843  -7.674  -7.674
   11    HA   CYS   3           HA       CYS   3  -3.230  -5.691  -5.691
   12   1HB   CYS   3          1HB       CYS   3  -2.203  -7.686  -7.686
   13   2HB   CYS   3          2HB       CYS   3  -2.808  -7.402  -7.402
   14    H    ALA   4           H        ALA   4  -4.730  -5.756  -5.756
   15    HA   ALA   4           HA       ALA   4  -3.614  -3.248  -3.248
   16   1HB   ALA   4          1HB       ALA   4  -4.576  -4.937  -4.937
   17   2HB   ALA   4          2HB       ALA   4  -6.198  -4.568  -4.568
   18   3HB   ALA   4          3HB       ALA   4  -5.269  -3.312  -3.312
   19    H    ASN   5           H        ASN   5  -6.677  -4.232  -4.232
   20    HA   ASN   5           HA       ASN   5  -7.862  -1.663  -1.663
   21   1HB   ASN   5          1HB       ASN   5  -8.316  -3.804  -3.804
   22   2HB   ASN   5          2HB       ASN   5  -9.412  -2.515  -2.515
   23   1HD2  ASN   5          2HD2      ASN   5  -9.371  -4.622  -4.622
   24   2HD2  ASN   5          1HD2      ASN   5  -8.608  -3.064  -3.064
   25    H    ALA   6           H        ALA   6  -5.558  -3.178  -3.178
   26    HA   ALA   6           HA       ALA   6  -5.513  -1.175  -1.175
   27   1HB   ALA   6          1HB       ALA   6  -3.269  -2.964  -2.964
   28   2HB   ALA   6          2HB       ALA   6  -3.157  -1.925  -1.925
   29   3HB   ALA   6          3HB       ALA   6  -4.328  -3.278  -3.278
   30    H    ALA   7           H        ALA   7  -3.548  -1.515  -1.515
   31    HA   ALA   7           HA       ALA   7  -2.165   0.955   0.955
   32   1HB   ALA   7          2HB       ALA   7  -1.515  -0.809  -0.809
   33   2HB   ALA   7          3HB       ALA   7  -2.977  -0.494  -0.494
   34   3HB   ALA   7          1HB       ALA   7  -1.738   0.765   0.765
   35    H    ALA   8           H        ALA   8  -5.373   0.191   0.191
   36    HA   ALA   8           HA       ALA   8  -5.904   2.850   2.850
   37   1HB   ALA   8          2HB       ALA   8  -7.086   0.812   0.812
   38   2HB   ALA   8          3HB       ALA   8  -7.934   0.737   0.737
   39   3HB   ALA   8          1HB       ALA   8  -8.163   2.133   2.133
   40    H    GLN   9           H        GLN   9  -6.364   1.326   1.326
   41    HA   GLN   9           HA       GLN   9  -7.816   3.644   3.644
   42   1HB   GLN   9          1HB       GLN   9  -8.021   1.420   1.420
   43   2HB   GLN   9          2HB       GLN   9  -6.302   1.435   1.435
   44   1HG   GLN   9          1HG       GLN   9  -6.631   3.321   3.321
   45   2HG   GLN   9          2HG       GLN   9  -8.283   3.561   3.561
   46   1HE2  GLN   9          2HE2      GLN   9  -7.928   1.337   1.337
   47   2HE2  GLN   9          1HE2      GLN   9  -6.900   2.686   2.686
   48    H    CYS  10           H        CYS  10  -4.530   2.668   2.668
   49    HA   CYS  10           HA       CYS  10  -2.698   3.811   3.811
   50   1HB   CYS  10          1HB       CYS  10  -4.347   5.500   5.500
   51   2HB   CYS  10          2HB       CYS  10  -4.038   6.490   6.490
   52    H    SER  11           H        SER  11  -2.435   2.530   2.530
   53    HA   SER  11           HA       SER  11  -1.507   4.109   4.109
   54   1HB   SER  11          1HB       SER  11  -3.879   3.570   3.570
   55   2HB   SER  11          2HB       SER  11  -3.721   1.996   1.996
   56    HG   SER  11           HG       SER  11  -3.605   2.336   2.336
   57    H    ILE  12           H        ILE  12   0.088   3.296   3.296
   58    HA   ILE  12           HA       ILE  12   1.662   1.237   1.237
   59    HB   ILE  12           HB       ILE  12   2.118   2.959   2.959
   60   1HG1  ILE  12          1HG1      ILE  12   1.824   4.391   4.391
   61   2HG1  ILE  12          2HG1      ILE  12   3.528   4.288   4.288
   62   1HG2  ILE  12          3HG2      ILE  12   4.041   1.214   1.214
   63   2HG2  ILE  12          1HG2      ILE  12   4.489   2.360   2.360
   64   3HG2  ILE  12          2HG2      ILE  12   3.488   0.957   0.957
   65   1HD1  ILE  12          2HD1      ILE  12   3.741   2.594   2.594
   66   2HD1  ILE  12          3HD1      ILE  12   2.059   2.996   2.996
   67   3HD1  ILE  12          1HD1      ILE  12   3.310   4.242   4.242
   68    H    THR  13           H        THR  13  -0.318   1.650   1.650
   69    HA   THR  13           HA       THR  13   0.399  -0.903  -0.903
   70    HB   THR  13           HB       THR  13  -2.004   0.962   0.962
   71    HG1  THR  13          1HG       THR  13  -1.076   1.198   1.198
   72   1HG2  THR  13          1HG2      THR  13  -1.583  -1.689  -1.689
   73   2HG2  THR  13          2HG2      THR  13  -2.779  -0.447  -0.447
   74   3HG2  THR  13          3HG2      THR  13  -2.925  -1.291  -1.291
   75    H    LEU  14           H        LEU  14  -2.342   0.212   0.212
   76    HA   LEU  14           HA       LEU  14  -3.432  -2.450  -2.450
   77   1HB   LEU  14          1HB       LEU  14  -3.651  -0.149  -0.149
   78   2HB   LEU  14          2HB       LEU  14  -4.498  -1.699  -1.699
   79    HG   LEU  14           HG       LEU  14  -5.384   0.663   0.663
   80   1HD1  LEU  14          2HD1      LEU  14  -6.498  -2.165  -2.165
   81   2HD1  LEU  14          3HD1      LEU  14  -7.443  -0.756  -0.756
   82   3HD1  LEU  14          1HD1      LEU  14  -6.738  -0.812  -0.812
   83   1HD2  LEU  14          2HD2      LEU  14  -5.150  -1.684  -1.684
   84   2HD2  LEU  14          3HD2      LEU  14  -4.348  -0.089  -0.089
   85   3HD2  LEU  14          1HD2      LEU  14  -6.106  -0.209  -0.209
   86    H    CYS  15           H        CYS  15  -0.873  -0.822  -0.822
   87    HA   CYS  15           HA       CYS  15  -0.527  -2.868  -2.868
   88   1HB   CYS  15          1HB       CYS  15   1.621  -1.159  -1.159
   89   2HB   CYS  15          2HB       CYS  15   1.899  -2.268  -2.268
   90    H    ASN  16           H        ASN  16   1.200  -2.498  -2.498
   91    HA   ASN  16           HA       ASN  16   2.353  -5.057  -5.057
   92   1HB   ASN  16          1HB       ASN  16   1.780  -3.673  -3.673
   93   2HB   ASN  16          2HB       ASN  16   3.074  -4.827  -4.827
   94   1HD2  ASN  16          2HD2      ASN  16   4.369  -1.249  -1.249
   95   2HD2  ASN  16          1HD2      ASN  16   3.378  -2.166  -2.166
   96    H    LEU  17           H        LEU  17  -0.764  -4.199  -4.199
   97    HA   LEU  17           HA       LEU  17  -1.242  -6.409  -6.409
   98   1HB   LEU  17          1HB       LEU  17  -2.599  -4.210  -4.210
   99   2HB   LEU  17          2HB       LEU  17  -3.465  -5.200  -5.200
  100    HG   LEU  17           HG       LEU  17  -4.572  -4.865  -4.865
  101   1HD1  LEU  17          1HD1      LEU  17  -4.974  -6.922  -6.922
  102   2HD1  LEU  17          2HD1      LEU  17  -3.781  -7.785  -7.785
  103   3HD1  LEU  17          3HD1      LEU  17  -5.243  -7.113  -7.113
  104   1HD2  LEU  17          2HD2      LEU  17  -2.492  -4.671  -4.671
  105   2HD2  LEU  17          3HD2      LEU  17  -3.792  -5.650  -5.650
  106   3HD2  LEU  17          1HD2      LEU  17  -2.393  -6.449  -6.449
  107    H    TYR  18           H        TYR  18  -1.385  -6.254  -6.254
  108    HA   TYR  18           HA       TYR  18  -1.468  -9.207  -9.207
  109   1HB   TYR  18          1HB       TYR  18  -3.581  -7.408  -7.408
  110   2HB   TYR  18          2HB       TYR  18  -3.207  -8.916  -8.916
  111    HD1  TYR  18          1HD       TYR  18  -2.852 -10.986 -10.986
  112    HD2  TYR  18          2HD       TYR  18  -5.523  -7.627  -7.627
  113    HE1  TYR  18          1HE       TYR  18  -3.661 -11.897 -11.897
  114    HE2  TYR  18          2HE       TYR  18  -6.457  -8.644  -8.644
  115    HH   TYR  18           HH       TYR  18  -4.646 -11.165 -11.165
  116    H    CYS  19           H        CYS  19   0.142  -6.581  -6.581
  117    HA   CYS  19           HA       CYS  19  -0.242  -7.741  -7.741
  118   1HB   CYS  19          1HB       CYS  19   1.351  -5.420  -5.420
  119   2HB   CYS  19          2HB       CYS  19   1.584  -6.087  -6.087
  120    H    GLY  20           H        GLY  20   2.010  -8.678  -8.678
  121   1HA   GLY  20          1HA       GLY  20   3.812 -10.098 -10.098
  122   2HA   GLY  20          2HA       GLY  20   3.148 -10.681 -10.681
  123    HA   PRO  21           HA       PRO  21   7.077  -8.509  -8.509
  124   1HB   PRO  21          1HB       PRO  21   7.399  -9.457  -9.457
  125   2HB   PRO  21          2HB       PRO  21   7.787 -10.399 -10.399
  126   1HG   PRO  21          1HG       PRO  21   5.260 -10.548 -10.548
  127   2HG   PRO  21          2HG       PRO  21   6.287 -11.899 -11.899
  128   1HD   PRO  21          1HD       PRO  21   4.034 -11.130 -11.130
  129   2HD   PRO  21          2HD       PRO  21   5.476 -11.691 -11.691
  130    H    LEU  22           H        LEU  22   3.932  -8.573  -8.573
  131    HA   LEU  22           HA       LEU  22   4.459  -6.348  -6.348
  132   1HB   LEU  22          1HB       LEU  22   1.754  -7.142  -7.142
  133   2HB   LEU  22          2HB       LEU  22   2.129  -6.292  -6.292
  134    HG   LEU  22           HG       LEU  22   2.687  -9.227  -9.227
  135   1HD1  LEU  22          3HD1      LEU  22   0.293  -8.568  -8.568
  136   2HD1  LEU  22          1HD1      LEU  22   0.713  -7.856  -7.856
  137   3HD1  LEU  22          2HD1      LEU  22   0.892  -9.601  -9.601
  138   1HD2  LEU  22          1HD2      LEU  22   3.165  -7.577  -7.577
  139   2HD2  LEU  22          2HD2      LEU  22   4.406  -8.355  -8.355
  140   3HD2  LEU  22          3HD2      LEU  22   3.258  -9.349  -9.349
  141    H    ILE  23           H        ILE  23   4.388  -6.442  -6.442
  142    HA   ILE  23           HA       ILE  23   3.151  -3.988  -3.988
  143    HB   ILE  23           HB       ILE  23   5.609  -5.401  -5.401
  144   1HG1  ILE  23          1HG1      ILE  23   2.882  -4.896  -4.896
  145   2HG1  ILE  23          2HG1      ILE  23   3.195  -6.329  -6.329
  146   1HG2  ILE  23          2HG2      ILE  23   4.218  -2.896  -2.896
  147   2HG2  ILE  23          3HG2      ILE  23   5.425  -3.839  -3.839
  148   3HG2  ILE  23          1HG2      ILE  23   5.891  -3.003  -3.003
  149   1HD1  ILE  23          1HD1      ILE  23   5.020  -6.987  -6.987
  150   2HD1  ILE  23          2HD1      ILE  23   4.595  -5.648  -5.648
  151   3HD1  ILE  23          3HD1      ILE  23   3.435  -6.949  -6.949
  152    H    GLU  24           H        GLU  24   6.177  -4.749  -4.749
  153    HA   GLU  24           HA       GLU  24   7.057  -2.015  -2.015
  154   1HB   GLU  24          1HB       GLU  24   8.434  -4.202  -4.202
  155   2HB   GLU  24          2HB       GLU  24   7.652  -4.079  -4.079
  156   1HG   GLU  24          1HG       GLU  24   8.598  -1.664  -1.664
  157   2HG   GLU  24          2HG       GLU  24   9.557  -2.145  -2.145
  158    H    ILE  25           H        ILE  25   5.537  -3.797  -3.797
  159    HA   ILE  25           HA       ILE  25   5.119  -1.491  -1.491
  160    HB   ILE  25           HB       ILE  25   3.388  -3.981  -3.981
  161   1HG1  ILE  25          1HG1      ILE  25   5.673  -4.538  -4.538
  162   2HG1  ILE  25          2HG1      ILE  25   4.435  -4.942  -4.942
  163   1HG2  ILE  25          2HG2      ILE  25   3.264  -1.889  -1.889
  164   2HG2  ILE  25          3HG2      ILE  25   2.529  -3.506  -3.506
  165   3HG2  ILE  25          1HG2      ILE  25   1.973  -2.376  -2.376
  166   1HD1  ILE  25          2HD1      ILE  25   6.210  -2.468  -2.468
  167   2HD1  ILE  25          3HD1      ILE  25   6.445  -3.979  -3.979
  168   3HD1  ILE  25          1HD1      ILE  25   5.023  -2.986  -2.986
  169    H    CYS  26           H        CYS  26   3.393  -2.615  -2.615
  170    HA   CYS  26           HA       CYS  26   1.031  -0.988  -0.988
  171   1HB   CYS  26          1HB       CYS  26   1.157  -2.964  -2.964
  172   2HB   CYS  26          2HB       CYS  26   2.231  -2.126  -2.126
  173    H    GLU  27           H        GLU  27   4.028  -0.730  -0.730
  174    HA   GLU  27           HA       GLU  27   3.463   1.833   1.833
  175   1HB   GLU  27          1HB       GLU  27   5.291   0.274   0.274
  176   2HB   GLU  27          2HB       GLU  27   6.168   0.649   0.649
  177   1HG   GLU  27          1HG       GLU  27   6.022   3.132   3.132
  178   2HG   GLU  27          2HG       GLU  27   5.427   2.544   2.544
  179    H    LEU  28           H        LEU  28   5.077   0.761   0.761
  180    HA   LEU  28           HA       LEU  28   5.919   3.327   3.327
  181   1HB   LEU  28          1HB       LEU  28   5.747   0.546   0.546
  182   2HB   LEU  28          2HB       LEU  28   5.628   1.703   1.703
  183    HG   LEU  28           HG       LEU  28   7.922   0.907   0.907
  184   1HD1  LEU  28          1HD1      LEU  28   7.537   3.193   3.193
  185   2HD1  LEU  28          2HD1      LEU  28   7.725   3.868   3.868
  186   3HD1  LEU  28          3HD1      LEU  28   9.078   3.022   3.022
  187   1HD2  LEU  28          2HD2      LEU  28   7.783   0.551   0.551
  188   2HD2  LEU  28          3HD2      LEU  28   9.190   1.515   1.515
  189   3HD2  LEU  28          1HD2      LEU  28   7.787   2.302   2.302
  190    H    THR  29           H        THR  29   2.935   1.510   1.510
  191    HA   THR  29           HA       THR  29   1.968   3.594   3.594
  192    HB   THR  29           HB       THR  29   0.167   1.791   1.791
  193    HG1  THR  29          1HG       THR  29   1.737   0.504   0.504
  194   1HG2  THR  29          2HG2      THR  29  -0.860   3.624   3.624
  195   2HG2  THR  29          3HG2      THR  29  -0.036   3.004   3.004
  196   3HG2  THR  29          1HG2      THR  29  -1.290   2.041   2.041
  197    H    VAL  30           H        VAL  30   1.710   3.018   3.018
  198    HA   VAL  30           HA       VAL  30  -0.094   5.163   5.163
  199    HB   VAL  30           HB       VAL  30   1.961   3.768   3.768
  200   1HG1  VAL  30          2HG1      VAL  30   1.324   6.195   6.195
  201   2HG1  VAL  30          3HG1      VAL  30  -0.197   5.390   5.390
  202   3HG1  VAL  30          1HG1      VAL  30   1.313   4.802   4.802
  203   1HG2  VAL  30          1HG2      VAL  30  -0.991   3.511   3.511
  204   2HG2  VAL  30          2HG2      VAL  30   0.211   2.250   2.250
  205   3HG2  VAL  30          3HG2      VAL  30  -0.352   3.013   3.013
  206    H    MET  31           H        MET  31   3.485   5.121   5.121
  207    HA   MET  31           HA       MET  31   3.992   7.787   7.787
  208   1HB   MET  31          1HB       MET  31   5.526   5.657   5.657
  209   2HB   MET  31          2HB       MET  31   5.573   6.219   6.219
  210   1HG   MET  31          1HG       MET  31   6.336   8.470   8.470
  211   2HG   MET  31          2HG       MET  31   6.482   7.753   7.753
  212   1HE   MET  31          3HE       MET  31   8.222   5.826   5.826
  213   2HE   MET  31          1HE       MET  31   7.686   4.791   4.791
  214   3HE   MET  31          2HE       MET  31   9.408   5.176   5.176
  215    H    GLN  32           H        GLN  32   3.518   6.167   6.167
  216    HA   GLN  32           HA       GLN  32   3.826   8.306   8.306
  217   1HB   GLN  32          1HB       GLN  32   3.494   5.766   5.766
  218   2HB   GLN  32          2HB       GLN  32   1.790   6.196   6.196
  219   1HG   GLN  32          1HG       GLN  32   2.148   6.649   6.649
  220   2HG   GLN  32          2HG       GLN  32   3.071   8.061   8.061
  221   1HE2  GLN  32          2HE2      GLN  32   5.188   4.577   4.577
  222   2HE2  GLN  32          1HE2      GLN  32   3.544   4.461   4.461
  223    H    ASN  33           H        ASN  33   0.996   7.654   7.654
  224    HA   ASN  33           HA       ASN  33  -0.596   9.629   9.629
  225   1HB   ASN  33          1HB       ASN  33  -2.238   8.200   8.200
  226   2HB   ASN  33          2HB       ASN  33  -0.950   6.995   6.995
  227   1HD2  ASN  33          2HD2      ASN  33  -2.381   5.400   5.400
  228   2HD2  ASN  33          1HD2      ASN  33  -0.887   5.694   5.694
  229    H    CYS  34           H        CYS  34   0.328   8.756   8.756
  230    HA   CYS  34           HA       CYS  34  -1.186  11.001  11.001
  231   1HB   CYS  34          1HB       CYS  34  -2.198   9.914   9.914
  232   2HB   CYS  34          2HB       CYS  34  -2.694   8.942   8.942
  233    H    GLU  35           H        GLU  35  -0.296  11.364  11.364
  234    HA   GLU  35           HA       GLU  35   2.626  10.877  10.877
  235   1HB   GLU  35          1HB       GLU  35   1.394  13.216  13.216
  236   2HB   GLU  35          2HB       GLU  35   1.406  12.961  12.961
  237   1HG   GLU  35          1HG       GLU  35   3.358  14.225  14.225
  238   2HG   GLU  35          2HG       GLU  35   3.890  12.610  12.610
  239    HA   PRO  36           HA       PRO  36   1.445   8.280   8.280
  240   1HB   PRO  36          1HB       PRO  36   3.460   6.439   6.439
  241   2HB   PRO  36          2HB       PRO  36   2.052   6.449   6.449
  242   1HG   PRO  36          1HG       PRO  36   4.821   7.614   7.614
  243   2HG   PRO  36          2HG       PRO  36   3.917   6.502   6.502
  244   1HD   PRO  36          1HD       PRO  36   3.936   9.220   9.220
  245   2HD   PRO  36          2HD       PRO  36   2.503   8.221   8.221
  246    HA   PRO  37           HA       PRO  37   2.766   6.630   6.630
  247   1HB   PRO  37          1HB       PRO  37   2.772   6.730   6.730
  248   2HB   PRO  37          2HB       PRO  37   4.293   6.640   6.640
  249   1HG   PRO  37          1HG       PRO  37   2.975   9.141   9.141
  250   2HG   PRO  37          2HG       PRO  37   4.666   8.633   8.633
  251   1HD   PRO  37          1HD       PRO  37   3.914  10.398  10.398
  252   2HD   PRO  37          2HD       PRO  37   5.216   9.218   9.218
  253    H    PHE  38           H        PHE  38   0.560   5.991   5.991
  254    HA   PHE  38           HA       PHE  38  -1.498   7.910   7.910
  255   1HB   PHE  38          1HB       PHE  38  -1.747   6.033   6.033
  256   2HB   PHE  38          2HB       PHE  38  -1.245   4.901   4.901
  257    HD1  PHE  38          2HD       PHE  38  -2.716   4.127   4.127
  258    HD2  PHE  38          1HD       PHE  38  -3.953   6.709   6.709
  259    HE1  PHE  38          2HE       PHE  38  -5.110   3.693   3.693
  260    HE2  PHE  38          1HE       PHE  38  -6.363   6.264   6.264
  261   1HZ   PHE  38           HZ       PHE  38  -6.928   4.723   4.723
  262    H    SER  39           H        SER  39  -2.293   8.534   8.534
  263    HA   SER  39           HA       SER  39  -1.475   7.071   7.071
  264   1HB   SER  39          1HB       SER  39  -2.537   9.883   9.883
  265   2HB   SER  39          2HB       SER  39  -2.208   9.159   9.159
  266    HG   SER  39           HG       SER  39  -0.326   9.599   9.599

  Start of MODEL    6
    1    HA   ASP   1           HA       ASP   1  -7.641  -9.670  -9.670
    2   1HB   ASP   1          1HB       ASP   1  -5.234  -9.856  -9.856
    3   2HB   ASP   1          2HB       ASP   1  -5.521 -10.375 -10.375
    4    H    GLU   2           H        GLU   2  -6.776  -9.058  -9.058
    5    HA   GLU   2           HA       GLU   2  -7.982  -6.549  -6.549
    6   1HB   GLU   2          1HB       GLU   2  -7.878  -8.596  -8.596
    7   2HB   GLU   2          2HB       GLU   2  -6.234  -8.109  -8.109
    8   1HG   GLU   2          1HG       GLU   2  -7.025  -5.977  -5.977
    9   2HG   GLU   2          2HG       GLU   2  -8.652  -6.245  -6.245
   10    H    CYS   3           H        CYS   3  -4.578  -7.584  -7.584
   11    HA   CYS   3           HA       CYS   3  -3.310  -5.299  -5.299
   12   1HB   CYS   3          1HB       CYS   3  -2.110  -7.320  -7.320
   13   2HB   CYS   3          2HB       CYS   3  -2.551  -7.184  -7.184
   14    H    ALA   4           H        ALA   4  -4.732  -5.779  -5.779
   15    HA   ALA   4           HA       ALA   4  -3.743  -3.331  -3.331
   16   1HB   ALA   4          3HB       ALA   4  -4.638  -5.154  -5.154
   17   2HB   ALA   4          1HB       ALA   4  -6.244  -4.939  -4.939
   18   3HB   ALA   4          2HB       ALA   4  -5.531  -3.652  -3.652
   19    H    ASN   5           H        ASN   5  -6.524  -4.157  -4.157
   20    HA   ASN   5           HA       ASN   5  -7.894  -1.594  -1.594
   21   1HB   ASN   5          1HB       ASN   5  -8.301  -3.845  -3.845
   22   2HB   ASN   5          2HB       ASN   5  -9.239  -2.371  -2.371
   23   1HD2  ASN   5          2HD2      ASN   5  -9.977  -5.237  -5.237
   24   2HD2  ASN   5          1HD2      ASN   5  -8.381  -5.232  -5.232
   25    H    ALA   6           H        ALA   6  -5.907  -3.118  -3.118
   26    HA   ALA   6           HA       ALA   6  -5.730  -1.023  -1.023
   27   1HB   ALA   6          2HB       ALA   6  -3.600  -3.030  -3.030
   28   2HB   ALA   6          3HB       ALA   6  -3.470  -1.950  -1.950
   29   3HB   ALA   6          1HB       ALA   6  -4.767  -3.167  -3.167
   30    H    ALA   7           H        ALA   7  -3.636  -1.525  -1.525
   31    HA   ALA   7           HA       ALA   7  -2.131   0.880   0.880
   32   1HB   ALA   7          3HB       ALA   7  -1.581  -0.925  -0.925
   33   2HB   ALA   7          1HB       ALA   7  -2.999  -0.434  -0.434
   34   3HB   ALA   7          2HB       ALA   7  -1.648   0.693   0.693
   35    H    ALA   8           H        ALA   8  -5.227   0.297   0.297
   36    HA   ALA   8           HA       ALA   8  -5.434   2.963   2.963
   37   1HB   ALA   8          3HB       ALA   8  -6.769   1.115   1.115
   38   2HB   ALA   8          1HB       ALA   8  -7.676   1.016   1.016
   39   3HB   ALA   8          2HB       ALA   8  -7.783   2.477   2.477
   40    H    GLN   9           H        GLN   9  -6.215   1.473   1.473
   41    HA   GLN   9           HA       GLN   9  -7.666   3.712   3.712
   42   1HB   GLN   9          1HB       GLN   9  -7.621   1.156   1.156
   43   2HB   GLN   9          2HB       GLN   9  -6.327   1.665   1.665
   44   1HG   GLN   9          1HG       GLN   9  -7.982   3.425   3.425
   45   2HG   GLN   9          2HG       GLN   9  -9.197   2.725   2.725
   46   1HE2  GLN   9          2HE2      GLN   9  -9.053  -0.439  -0.439
   47   2HE2  GLN   9          1HE2      GLN   9  -8.610  -0.063  -0.063
   48    H    CYS  10           H        CYS  10  -4.309   3.440   3.440
   49    HA   CYS  10           HA       CYS  10  -2.614   4.876   4.876
   50   1HB   CYS  10          1HB       CYS  10  -4.011   6.698   6.698
   51   2HB   CYS  10          2HB       CYS  10  -4.923   6.620   6.620
   52    H    SER  11           H        SER  11  -2.752   2.742   2.742
   53    HA   SER  11           HA       SER  11  -1.727   3.970   3.970
   54   1HB   SER  11          1HB       SER  11  -4.097   3.541   3.541
   55   2HB   SER  11          2HB       SER  11  -4.003   1.960   1.960
   56    HG   SER  11           HG       SER  11  -3.826   2.115   2.115
   57    H    ILE  12           H        ILE  12  -0.073   3.106   3.106
   58    HA   ILE  12           HA       ILE  12   1.221   0.995   0.995
   59    HB   ILE  12           HB       ILE  12   2.202   2.745   2.745
   60   1HG1  ILE  12          1HG1      ILE  12   1.631   4.155   4.155
   61   2HG1  ILE  12          2HG1      ILE  12   3.361   3.933   3.933
   62   1HG2  ILE  12          1HG2      ILE  12   3.694   0.849   0.849
   63   2HG2  ILE  12          2HG2      ILE  12   4.460   2.057   2.057
   64   3HG2  ILE  12          3HG2      ILE  12   3.531   0.733   0.733
   65   1HD1  ILE  12          1HD1      ILE  12   2.867   2.019   2.019
   66   2HD1  ILE  12          2HD1      ILE  12   1.291   2.801   2.801
   67   3HD1  ILE  12          3HD1      ILE  12   2.766   3.711   3.711
   68    H    THR  13           H        THR  13  -0.328   1.506   1.506
   69    HA   THR  13           HA       THR  13   0.604  -1.059  -1.059
   70    HB   THR  13           HB       THR  13  -1.854   0.593   0.593
   71    HG1  THR  13          1HG       THR  13  -0.062   1.836   1.836
   72   1HG2  THR  13          1HG2      THR  13  -0.259  -1.512  -1.512
   73   2HG2  THR  13          2HG2      THR  13  -1.613  -0.552  -0.552
   74   3HG2  THR  13          3HG2      THR  13  -1.894  -1.740  -1.740
   75    H    LEU  14           H        LEU  14  -2.454   0.074   0.074
   76    HA   LEU  14           HA       LEU  14  -3.482  -2.619  -2.619
   77   1HB   LEU  14          1HB       LEU  14  -4.055  -0.192  -0.192
   78   2HB   LEU  14          2HB       LEU  14  -4.776  -1.740  -1.740
   79    HG   LEU  14           HG       LEU  14  -4.937  -0.710  -0.710
   80   1HD1  LEU  14          3HD1      LEU  14  -6.388   0.439   0.439
   81   2HD1  LEU  14          1HD1      LEU  14  -7.094   0.475   0.475
   82   3HD1  LEU  14          2HD1      LEU  14  -5.585   1.328   1.328
   83   1HD2  LEU  14          1HD2      LEU  14  -5.801  -2.906  -2.906
   84   2HD2  LEU  14          2HD2      LEU  14  -7.058  -1.866  -1.866
   85   3HD2  LEU  14          3HD2      LEU  14  -6.896  -1.971  -1.971
   86    H    CYS  15           H        CYS  15  -1.116  -0.882  -0.882
   87    HA   CYS  15           HA       CYS  15  -0.899  -2.895  -2.895
   88   1HB   CYS  15          1HB       CYS  15   1.377  -1.240  -1.240
   89   2HB   CYS  15          2HB       CYS  15   1.533  -2.337  -2.337
   90    H    ASN  16           H        ASN  16   1.167  -2.543  -2.543
   91    HA   ASN  16           HA       ASN  16   2.226  -5.201  -5.201
   92   1HB   ASN  16          1HB       ASN  16   3.567  -4.788  -4.788
   93   2HB   ASN  16          2HB       ASN  16   3.584  -3.389  -3.389
   94   1HD2  ASN  16          2HD2      ASN  16   3.102  -1.194  -1.194
   95   2HD2  ASN  16          1HD2      ASN  16   4.114  -1.749  -1.749
   96    H    LEU  17           H        LEU  17  -0.683  -4.312  -4.312
   97    HA   LEU  17           HA       LEU  17  -1.148  -6.244  -6.244
   98   1HB   LEU  17          1HB       LEU  17  -2.525  -4.430  -4.430
   99   2HB   LEU  17          2HB       LEU  17  -3.023  -5.329  -5.329
  100    HG   LEU  17           HG       LEU  17  -4.494  -6.482  -6.482
  101   1HD1  LEU  17          3HD1      LEU  17  -2.732  -6.621  -6.621
  102   2HD1  LEU  17          1HD1      LEU  17  -4.305  -7.381  -7.381
  103   3HD1  LEU  17          2HD1      LEU  17  -2.939  -7.942  -7.942
  104   1HD2  LEU  17          1HD2      LEU  17  -4.742  -4.115  -4.115
  105   2HD2  LEU  17          2HD2      LEU  17  -5.372  -5.271  -5.271
  106   3HD2  LEU  17          3HD2      LEU  17  -3.783  -4.492  -4.492
  107    H    TYR  18           H        TYR  18  -1.573  -6.574  -6.574
  108    HA   TYR  18           HA       TYR  18  -1.112  -9.519  -9.519
  109   1HB   TYR  18          1HB       TYR  18  -3.308  -8.101  -8.101
  110   2HB   TYR  18          2HB       TYR  18  -3.036  -9.829  -9.829
  111    HD1  TYR  18          2HD       TYR  18  -2.686 -10.504 -10.504
  112    HD2  TYR  18          1HD       TYR  18  -5.377  -7.644  -7.644
  113    HE1  TYR  18          2HE       TYR  18  -4.094 -10.582 -10.582
  114    HE2  TYR  18          1HE       TYR  18  -6.855  -7.830  -7.830
  115    HH   TYR  18           HH       TYR  18  -5.777  -9.490  -9.490
  116    H    CYS  19           H        CYS  19   0.035  -6.758  -6.758
  117    HA   CYS  19           HA       CYS  19  -0.007  -7.799  -7.799
  118   1HB   CYS  19          1HB       CYS  19   1.483  -5.525  -5.525
  119   2HB   CYS  19          2HB       CYS  19   1.676  -5.989  -5.989
  120    H    GLY  20           H        GLY  20   2.189  -8.498  -8.498
  121   1HA   GLY  20          1HA       GLY  20   4.278  -9.350  -9.350
  122   2HA   GLY  20          2HA       GLY  20   3.663 -10.451 -10.451
  123    HA   PRO  21           HA       PRO  21   7.146  -8.733  -8.733
  124   1HB   PRO  21          1HB       PRO  21   6.504  -9.846  -9.846
  125   2HB   PRO  21          2HB       PRO  21   7.164 -10.818 -10.818
  126   1HG   PRO  21          1HG       PRO  21   4.271 -10.493 -10.493
  127   2HG   PRO  21          2HG       PRO  21   5.122 -11.998 -11.998
  128   1HD   PRO  21          1HD       PRO  21   3.570 -10.796 -10.796
  129   2HD   PRO  21          2HD       PRO  21   5.101 -11.575 -11.575
  130    H    LEU  22           H        LEU  22   3.725  -8.536  -8.536
  131    HA   LEU  22           HA       LEU  22   4.096  -6.465  -6.465
  132   1HB   LEU  22          1HB       LEU  22   1.543  -7.138  -7.138
  133   2HB   LEU  22          2HB       LEU  22   1.727  -6.440  -6.440
  134    HG   LEU  22           HG       LEU  22   2.296  -9.313  -9.313
  135   1HD1  LEU  22          1HD1      LEU  22  -0.069  -8.745  -8.745
  136   2HD1  LEU  22          2HD1      LEU  22   0.225  -8.138  -8.138
  137   3HD1  LEU  22          3HD1      LEU  22   0.454  -9.862  -9.862
  138   1HD2  LEU  22          1HD2      LEU  22   2.658  -8.024  -8.024
  139   2HD2  LEU  22          2HD2      LEU  22   3.971  -8.633  -8.633
  140   3HD2  LEU  22          3HD2      LEU  22   2.803  -9.763  -9.763
  141    H    ILE  23           H        ILE  23   4.496  -6.369  -6.369
  142    HA   ILE  23           HA       ILE  23   3.212  -3.915  -3.915
  143    HB   ILE  23           HB       ILE  23   5.870  -5.018  -5.018
  144   1HG1  ILE  23          1HG1      ILE  23   3.154  -4.848  -4.848
  145   2HG1  ILE  23          2HG1      ILE  23   3.693  -6.297  -6.297
  146   1HG2  ILE  23          1HG2      ILE  23   4.126  -2.705  -2.705
  147   2HG2  ILE  23          2HG2      ILE  23   5.501  -3.368  -3.368
  148   3HG2  ILE  23          3HG2      ILE  23   5.776  -2.567  -2.567
  149   1HD1  ILE  23          1HD1      ILE  23   5.761  -6.248  -6.248
  150   2HD1  ILE  23          2HD1      ILE  23   4.873  -5.113  -5.113
  151   3HD1  ILE  23          3HD1      ILE  23   4.208  -6.728  -6.728
  152    H    GLU  24           H        GLU  24   6.160  -4.760  -4.760
  153    HA   GLU  24           HA       GLU  24   7.008  -2.063  -2.063
  154   1HB   GLU  24          1HB       GLU  24   8.361  -4.203  -4.203
  155   2HB   GLU  24          2HB       GLU  24   7.396  -4.285  -4.285
  156   1HG   GLU  24          1HG       GLU  24   8.149  -1.922  -1.922
  157   2HG   GLU  24          2HG       GLU  24   9.138  -1.946  -1.946
  158    H    ILE  25           H        ILE  25   5.216  -3.855  -3.855
  159    HA   ILE  25           HA       ILE  25   4.742  -1.521  -1.521
  160    HB   ILE  25           HB       ILE  25   3.201  -4.116  -4.116
  161   1HG1  ILE  25          1HG1      ILE  25   5.431  -4.158  -4.158
  162   2HG1  ILE  25          2HG1      ILE  25   4.092  -4.712  -4.712
  163   1HG2  ILE  25          3HG2      ILE  25   2.449  -1.841  -1.841
  164   2HG2  ILE  25          1HG2      ILE  25   1.944  -3.527  -3.527
  165   3HG2  ILE  25          2HG2      ILE  25   1.441  -2.652  -2.652
  166   1HD1  ILE  25          2HD1      ILE  25   4.067  -2.526  -2.526
  167   2HD1  ILE  25          3HD1      ILE  25   5.445  -1.977  -1.977
  168   3HD1  ILE  25          1HD1      ILE  25   5.632  -3.338  -3.338
  169    H    CYS  26           H        CYS  26   3.133  -2.626  -2.626
  170    HA   CYS  26           HA       CYS  26   0.858  -0.865  -0.865
  171   1HB   CYS  26          1HB       CYS  26   1.107  -2.943  -2.943
  172   2HB   CYS  26          2HB       CYS  26   2.081  -2.042  -2.042
  173    H    GLU  27           H        GLU  27   4.020  -0.714  -0.714
  174    HA   GLU  27           HA       GLU  27   3.435   1.823   1.823
  175   1HB   GLU  27          1HB       GLU  27   5.136  -0.032  -0.032
  176   2HB   GLU  27          2HB       GLU  27   6.220   0.707   0.707
  177   1HG   GLU  27          1HG       GLU  27   5.759   2.926   2.926
  178   2HG   GLU  27          2HG       GLU  27   4.973   1.897   1.897
  179    H    LEU  28           H        LEU  28   4.881   0.711   0.711
  180    HA   LEU  28           HA       LEU  28   5.931   3.213   3.213
  181   1HB   LEU  28          1HB       LEU  28   5.368   0.471   0.471
  182   2HB   LEU  28          2HB       LEU  28   5.198   1.677   1.677
  183    HG   LEU  28           HG       LEU  28   7.423   0.576   0.576
  184   1HD1  LEU  28          3HD1      LEU  28   7.086   2.764   2.764
  185   2HD1  LEU  28          1HD1      LEU  28   7.492   3.603   3.603
  186   3HD1  LEU  28          2HD1      LEU  28   8.706   2.604   2.604
  187   1HD2  LEU  28          2HD2      LEU  28   7.621   0.469   0.469
  188   2HD2  LEU  28          3HD2      LEU  28   9.030   1.220   1.220
  189   3HD2  LEU  28          1HD2      LEU  28   7.840   2.229   2.229
  190    H    THR  29           H        THR  29   2.843   1.511   1.511
  191    HA   THR  29           HA       THR  29   1.710   3.612   3.612
  192    HB   THR  29           HB       THR  29   0.345   1.686   1.686
  193    HG1  THR  29          1HG       THR  29   1.415   0.580   0.580
  194   1HG2  THR  29          3HG2      THR  29  -0.813   3.415   3.415
  195   2HG2  THR  29          1HG2      THR  29  -1.699   2.095   2.095
  196   3HG2  THR  29          2HG2      THR  29  -1.209   3.511   3.511
  197    H    VAL  30           H        VAL  30   1.455   3.015   3.015
  198    HA   VAL  30           HA       VAL  30  -0.076   5.319   5.319
  199    HB   VAL  30           HB       VAL  30   1.801   3.810   3.810
  200   1HG1  VAL  30          3HG1      VAL  30   1.163   6.135   6.135
  201   2HG1  VAL  30          1HG1      VAL  30  -0.526   5.660   5.660
  202   3HG1  VAL  30          2HG1      VAL  30   0.460   4.838   4.838
  203   1HG2  VAL  30          2HG2      VAL  30  -1.225   3.695   3.695
  204   2HG2  VAL  30          3HG2      VAL  30  -0.107   2.428   2.428
  205   3HG2  VAL  30          1HG2      VAL  30  -0.374   2.788   2.788
  206    H    MET  31           H        MET  31   3.541   4.954   4.954
  207    HA   MET  31           HA       MET  31   4.256   7.565   7.565
  208   1HB   MET  31          1HB       MET  31   5.412   5.430   5.430
  209   2HB   MET  31          2HB       MET  31   6.156   6.971   6.971
  210   1HG   MET  31          1HG       MET  31   5.786   5.694   5.694
  211   2HG   MET  31          2HG       MET  31   7.293   5.761   5.761
  212   1HE   MET  31          1HE       MET  31   8.737   7.817   7.817
  213   2HE   MET  31          2HE       MET  31   7.383   8.700   8.700
  214   3HE   MET  31          3HE       MET  31   8.312   9.444   9.444
  215    H    GLN  32           H        GLN  32   3.352   6.171   6.171
  216    HA   GLN  32           HA       GLN  32   3.852   8.555   8.555
  217   1HB   GLN  32          1HB       GLN  32   3.622   5.828   5.828
  218   2HB   GLN  32          2HB       GLN  32   2.124   6.444   6.444
  219   1HG   GLN  32          1HG       GLN  32   4.969   7.367   7.367
  220   2HG   GLN  32          2HG       GLN  32   3.953   6.326   6.326
  221   1HE2  GLN  32          2HE2      GLN  32   3.422  10.386  10.386
  222   2HE2  GLN  32          1HE2      GLN  32   4.707   9.631   9.631
  223    H    ASN  33           H        ASN  33   1.210   7.550   7.550
  224    HA   ASN  33           HA       ASN  33  -0.864   8.851   8.851
  225   1HB   ASN  33          1HB       ASN  33  -0.890   6.417   6.417
  226   2HB   ASN  33          2HB       ASN  33  -0.904   6.609   6.609
  227   1HD2  ASN  33          2HD2      ASN  33  -4.310   5.969   5.969
  228   2HD2  ASN  33          1HD2      ASN  33  -2.777   5.485   5.485
  229    H    CYS  34           H        CYS  34   0.429   8.743   8.743
  230    HA   CYS  34           HA       CYS  34  -1.019  11.116  11.116
  231   1HB   CYS  34          1HB       CYS  34  -2.303  10.192  10.192
  232   2HB   CYS  34          2HB       CYS  34  -2.563   8.974   8.974
  233    H    GLU  35           H        GLU  35  -0.323  11.177  11.177
  234    HA   GLU  35           HA       GLU  35   2.641  10.856  10.856
  235   1HB   GLU  35          1HB       GLU  35   1.590  13.123  13.123
  236   2HB   GLU  35          2HB       GLU  35   1.176  12.532  12.532
  237   1HG   GLU  35          1HG       GLU  35   3.345  13.561  13.561
  238   2HG   GLU  35          2HG       GLU  35   3.672  11.845  11.845
  239    HA   PRO  36           HA       PRO  36   1.802   7.721   7.721
  240   1HB   PRO  36          1HB       PRO  36   3.850   5.972   5.972
  241   2HB   PRO  36          2HB       PRO  36   2.262   5.995   5.995
  242   1HG   PRO  36          1HG       PRO  36   4.888   7.261   7.261
  243   2HG   PRO  36          2HG       PRO  36   3.784   6.293   6.293
  244   1HD   PRO  36          1HD       PRO  36   3.850   9.054   9.054
  245   2HD   PRO  36          2HD       PRO  36   2.360   8.127   8.127
  246    HA   PRO  37           HA       PRO  37   3.138   5.831   5.831
  247   1HB   PRO  37          1HB       PRO  37   3.635   5.568   5.568
  248   2HB   PRO  37          2HB       PRO  37   4.893   5.295   5.295
  249   1HG   PRO  37          1HG       PRO  37   4.442   7.820   7.820
  250   2HG   PRO  37          2HG       PRO  37   5.973   6.947   6.947
  251   1HD   PRO  37          1HD       PRO  37   5.305   9.103   9.103
  252   2HD   PRO  37          2HD       PRO  37   6.162   7.707   7.707
  253    H    PHE  38           H        PHE  38   0.787   5.775   5.775
  254    HA   PHE  38           HA       PHE  38  -0.322   8.269   8.269
  255   1HB   PHE  38          1HB       PHE  38  -1.463   7.496   7.496
  256   2HB   PHE  38          2HB       PHE  38  -1.188   5.839   5.839
  257    HD1  PHE  38          2HD       PHE  38  -2.422   4.751   4.751
  258    HD2  PHE  38          1HD       PHE  38  -3.628   8.207   8.207
  259    HE1  PHE  38          2HE       PHE  38  -4.774   4.335   4.335
  260    HE2  PHE  38          1HE       PHE  38  -6.000   7.810   7.810
  261   1HZ   PHE  38           HZ       PHE  38  -6.582   5.843   5.843
  262    H    SER  39           H        SER  39  -2.122   7.883   7.883
  263    HA   SER  39           HA       SER  39  -0.922   6.948   6.948
  264   1HB   SER  39          1HB       SER  39  -3.325   7.867   7.867
  265   2HB   SER  39          2HB       SER  39  -2.025   8.945   8.945
  266    HG   SER  39           HG       SER  39  -4.277   8.129   8.129

  Start of MODEL    7
    1    HA   ASP   1           HA       ASP   1  -7.670  -8.964  -8.964
    2   1HB   ASP   1          1HB       ASP   1  -5.426 -10.158 -10.158
    3   2HB   ASP   1          2HB       ASP   1  -4.766  -9.027  -9.027
    4    H    GLU   2           H        GLU   2  -7.339  -8.718  -8.718
    5    HA   GLU   2           HA       GLU   2  -8.103  -6.119  -6.119
    6   1HB   GLU   2          1HB       GLU   2  -6.698  -8.122  -8.122
    7   2HB   GLU   2          2HB       GLU   2  -7.648  -6.706  -6.706
    8   1HG   GLU   2          1HG       GLU   2  -9.610  -7.732  -7.732
    9   2HG   GLU   2          2HG       GLU   2  -8.636  -9.209  -9.209
   10    H    CYS   3           H        CYS   3  -4.826  -7.461  -7.461
   11    HA   CYS   3           HA       CYS   3  -3.316  -5.344  -5.344
   12   1HB   CYS   3          1HB       CYS   3  -2.193  -7.358  -7.358
   13   2HB   CYS   3          2HB       CYS   3  -2.813  -7.249  -7.249
   14    H    ALA   4           H        ALA   4  -4.525  -5.723  -5.723
   15    HA   ALA   4           HA       ALA   4  -3.359  -3.305  -3.305
   16   1HB   ALA   4          3HB       ALA   4  -5.796  -4.866  -4.866
   17   2HB   ALA   4          1HB       ALA   4  -5.002  -3.539  -3.539
   18   3HB   ALA   4          2HB       ALA   4  -4.116  -5.043  -5.043
   19    H    ASN   5           H        ASN   5  -6.515  -4.102  -4.102
   20    HA   ASN   5           HA       ASN   5  -7.687  -1.510  -1.510
   21   1HB   ASN   5          1HB       ASN   5  -8.259  -3.614  -3.614
   22   2HB   ASN   5          2HB       ASN   5  -9.164  -2.121  -2.121
   23   1HD2  ASN   5          2HD2      ASN   5  -9.736  -4.390  -4.390
   24   2HD2  ASN   5          1HD2      ASN   5  -8.202  -3.576  -3.576
   25    H    ALA   6           H        ALA   6  -5.713  -2.869  -2.869
   26    HA   ALA   6           HA       ALA   6  -5.786  -0.612  -0.612
   27   1HB   ALA   6          2HB       ALA   6  -4.810  -2.808  -2.808
   28   2HB   ALA   6          3HB       ALA   6  -3.461  -2.542  -2.542
   29   3HB   ALA   6          1HB       ALA   6  -3.671  -1.454  -1.454
   30    H    ALA   7           H        ALA   7  -3.563  -1.433  -1.433
   31    HA   ALA   7           HA       ALA   7  -1.963   0.877   0.877
   32   1HB   ALA   7          1HB       ALA   7  -1.651  -1.237  -1.237
   33   2HB   ALA   7          2HB       ALA   7  -2.758  -0.467  -0.467
   34   3HB   ALA   7          3HB       ALA   7  -1.239   0.330   0.330
   35    H    ALA   8           H        ALA   8  -4.981   0.320   0.320
   36    HA   ALA   8           HA       ALA   8  -5.107   2.914   2.914
   37   1HB   ALA   8          2HB       ALA   8  -7.308   0.924   0.924
   38   2HB   ALA   8          3HB       ALA   8  -7.534   2.392   2.392
   39   3HB   ALA   8          1HB       ALA   8  -6.458   1.104   1.104
   40    H    GLN   9           H        GLN   9  -6.205   1.655   1.655
   41    HA   GLN   9           HA       GLN   9  -7.764   3.946   3.946
   42   1HB   GLN   9          1HB       GLN   9  -8.030   1.601   1.601
   43   2HB   GLN   9          2HB       GLN   9  -6.504   1.784   1.784
   44   1HG   GLN   9          1HG       GLN   9  -7.553   3.644   3.644
   45   2HG   GLN   9          2HG       GLN   9  -9.078   3.343   3.343
   46   1HE2  GLN   9          2HE2      GLN   9  -9.057   1.504   1.504
   47   2HE2  GLN   9          1HE2      GLN   9  -9.102   3.156   3.156
   48    H    CYS  10           H        CYS  10  -4.320   3.262   3.262
   49    HA   CYS  10           HA       CYS  10  -2.532   4.424   4.424
   50   1HB   CYS  10          1HB       CYS  10  -3.255   6.484   6.484
   51   2HB   CYS  10          2HB       CYS  10  -4.452   6.733   6.733
   52    H    SER  11           H        SER  11  -2.737   2.602   2.602
   53    HA   SER  11           HA       SER  11  -1.823   3.857   3.857
   54   1HB   SER  11          1HB       SER  11  -4.170   3.203   3.203
   55   2HB   SER  11          2HB       SER  11  -3.896   1.612   1.612
   56    HG   SER  11           HG       SER  11  -3.684   1.862   1.862
   57    H    ILE  12           H        ILE  12  -0.056   3.026   3.026
   58    HA   ILE  12           HA       ILE  12   1.178   0.785   0.785
   59    HB   ILE  12           HB       ILE  12   2.149   2.495   2.495
   60   1HG1  ILE  12          1HG1      ILE  12   1.717   3.920   3.920
   61   2HG1  ILE  12          2HG1      ILE  12   3.431   3.662   3.662
   62   1HG2  ILE  12          1HG2      ILE  12   3.518   0.452   0.452
   63   2HG2  ILE  12          2HG2      ILE  12   4.383   1.645   1.645
   64   3HG2  ILE  12          3HG2      ILE  12   3.356   0.431   0.431
   65   1HD1  ILE  12          3HD1      ILE  12   3.234   1.865   1.865
   66   2HD1  ILE  12          1HD1      ILE  12   1.563   2.424   2.424
   67   3HD1  ILE  12          2HD1      ILE  12   2.913   3.524   3.524
   68    H    THR  13           H        THR  13  -0.703   1.569   1.569
   69    HA   THR  13           HA       THR  13   0.200  -0.709  -0.709
   70    HB   THR  13           HB       THR  13  -2.443   0.735   0.735
   71    HG1  THR  13          1HG       THR  13  -1.195   2.266   2.266
   72   1HG2  THR  13          3HG2      THR  13  -0.368  -0.547  -0.547
   73   2HG2  THR  13          1HG2      THR  13  -1.795   0.346   0.346
   74   3HG2  THR  13          2HG2      THR  13  -1.989  -1.145  -1.145
   75    H    LEU  14           H        LEU  14  -2.544  -0.011  -0.011
   76    HA   LEU  14           HA       LEU  14  -3.491  -2.783  -2.783
   77   1HB   LEU  14          1HB       LEU  14  -4.316  -0.484  -0.484
   78   2HB   LEU  14          2HB       LEU  14  -4.982  -2.081  -2.081
   79    HG   LEU  14           HG       LEU  14  -4.936  -0.865  -0.865
   80   1HD1  LEU  14          1HD1      LEU  14  -6.880  -0.075  -0.075
   81   2HD1  LEU  14          2HD1      LEU  14  -7.002   0.358   0.358
   82   3HD1  LEU  14          3HD1      LEU  14  -5.703   1.026   1.026
   83   1HD2  LEU  14          3HD2      LEU  14  -5.747  -3.148  -3.148
   84   2HD2  LEU  14          1HD2      LEU  14  -7.045  -2.099  -2.099
   85   3HD2  LEU  14          2HD2      LEU  14  -6.935  -2.425  -2.425
   86    H    CYS  15           H        CYS  15  -1.238  -0.984  -0.984
   87    HA   CYS  15           HA       CYS  15  -0.927  -2.955  -2.955
   88   1HB   CYS  15          1HB       CYS  15   1.260  -1.272  -1.272
   89   2HB   CYS  15          2HB       CYS  15   1.543  -2.378  -2.378
   90    H    ASN  16           H        ASN  16   1.332  -2.630  -2.630
   91    HA   ASN  16           HA       ASN  16   2.404  -5.137  -5.137
   92   1HB   ASN  16          1HB       ASN  16   2.330  -3.671  -3.671
   93   2HB   ASN  16          2HB       ASN  16   3.504  -4.874  -4.874
   94   1HD2  ASN  16          2HD2      ASN  16   5.486  -1.972  -1.972
   95   2HD2  ASN  16          1HD2      ASN  16   5.323  -3.479  -3.479
   96    H    LEU  17           H        LEU  17  -0.623  -4.402  -4.402
   97    HA   LEU  17           HA       LEU  17  -0.934  -6.588  -6.588
   98   1HB   LEU  17          1HB       LEU  17  -2.468  -4.615  -4.615
   99   2HB   LEU  17          2HB       LEU  17  -3.128  -5.506  -5.506
  100    HG   LEU  17           HG       LEU  17  -4.371  -5.460  -5.460
  101   1HD1  LEU  17          1HD1      LEU  17  -4.897  -7.066  -7.066
  102   2HD1  LEU  17          2HD1      LEU  17  -3.736  -8.219  -8.219
  103   3HD1  LEU  17          3HD1      LEU  17  -5.169  -7.732  -7.732
  104   1HD2  LEU  17          3HD2      LEU  17  -2.309  -5.925  -5.925
  105   2HD2  LEU  17          1HD2      LEU  17  -3.739  -6.927  -6.927
  106   3HD2  LEU  17          2HD2      LEU  17  -2.400  -7.610  -7.610
  107    H    TYR  18           H        TYR  18  -1.398  -6.497  -6.497
  108    HA   TYR  18           HA       TYR  18  -1.566  -9.519  -9.519
  109   1HB   TYR  18          1HB       TYR  18  -3.027  -7.480  -7.480
  110   2HB   TYR  18          2HB       TYR  18  -3.075  -9.222  -9.222
  111    HD1  TYR  18          1HD       TYR  18  -3.430 -10.300 -10.300
  112    HD2  TYR  18          2HD       TYR  18  -5.266  -6.944  -6.944
  113    HE1  TYR  18          1HE       TYR  18  -5.562 -10.831 -10.831
  114    HE2  TYR  18          2HE       TYR  18  -7.444  -7.590  -7.590
  115    HH   TYR  18           HH       TYR  18  -8.432  -9.711  -9.711
  116    H    CYS  19           H        CYS  19  -0.051  -6.752  -6.752
  117    HA   CYS  19           HA       CYS  19   0.049  -7.828  -7.828
  118   1HB   CYS  19          1HB       CYS  19   1.538  -5.599  -5.599
  119   2HB   CYS  19          2HB       CYS  19   1.815  -5.999  -5.999
  120    H    GLY  20           H        GLY  20   2.381  -8.493  -8.493
  121   1HA   GLY  20          1HA       GLY  20   4.467  -9.417  -9.417
  122   2HA   GLY  20          2HA       GLY  20   3.729 -10.558 -10.558
  123    HA   PRO  21           HA       PRO  21   7.060  -8.946  -8.946
  124   1HB   PRO  21          1HB       PRO  21   6.298 -10.098 -10.098
  125   2HB   PRO  21          2HB       PRO  21   7.015 -11.045 -11.045
  126   1HG   PRO  21          1HG       PRO  21   4.072 -10.713 -10.713
  127   2HG   PRO  21          2HG       PRO  21   4.961 -12.240 -12.240
  128   1HD   PRO  21          1HD       PRO  21   3.611 -11.108 -11.108
  129   2HD   PRO  21          2HD       PRO  21   5.241 -11.778 -11.778
  130    H    LEU  22           H        LEU  22   3.580  -8.616  -8.616
  131    HA   LEU  22           HA       LEU  22   3.830  -6.619  -6.619
  132   1HB   LEU  22          1HB       LEU  22   1.511  -7.109  -7.109
  133   2HB   LEU  22          2HB       LEU  22   1.461  -6.298  -6.298
  134    HG   LEU  22           HG       LEU  22   2.183  -9.248  -9.248
  135   1HD1  LEU  22          3HD1      LEU  22  -0.049  -8.851  -8.851
  136   2HD1  LEU  22          1HD1      LEU  22  -0.525  -8.028  -8.028
  137   3HD1  LEU  22          2HD1      LEU  22  -0.125  -9.759  -9.759
  138   1HD2  LEU  22          1HD2      LEU  22   1.282  -7.619  -7.619
  139   2HD2  LEU  22          2HD2      LEU  22   2.924  -8.232  -8.232
  140   3HD2  LEU  22          3HD2      LEU  22   1.593  -9.367  -9.367
  141    H    ILE  23           H        ILE  23   4.475  -6.524  -6.524
  142    HA   ILE  23           HA       ILE  23   3.405  -4.035  -4.035
  143    HB   ILE  23           HB       ILE  23   5.969  -5.408  -5.408
  144   1HG1  ILE  23          1HG1      ILE  23   3.312  -4.902  -4.902
  145   2HG1  ILE  23          2HG1      ILE  23   3.637  -6.374  -6.374
  146   1HG2  ILE  23          3HG2      ILE  23   4.623  -2.912  -2.912
  147   2HG2  ILE  23          1HG2      ILE  23   5.901  -3.826  -3.826
  148   3HG2  ILE  23          2HG2      ILE  23   6.259  -3.006  -3.006
  149   1HD1  ILE  23          3HD1      ILE  23   5.592  -6.833  -6.833
  150   2HD1  ILE  23          1HD1      ILE  23   5.015  -5.508  -5.508
  151   3HD1  ILE  23          2HD1      ILE  23   3.995  -6.923  -6.923
  152    H    GLU  24           H        GLU  24   6.308  -4.817  -4.817
  153    HA   GLU  24           HA       GLU  24   7.244  -2.156  -2.156
  154   1HB   GLU  24          1HB       GLU  24   8.611  -4.236  -4.236
  155   2HB   GLU  24          2HB       GLU  24   7.667  -4.342  -4.342
  156   1HG   GLU  24          1HG       GLU  24   8.609  -1.965  -1.965
  157   2HG   GLU  24          2HG       GLU  24   9.789  -2.309  -2.309
  158    H    ILE  25           H        ILE  25   5.450  -3.779  -3.779
  159    HA   ILE  25           HA       ILE  25   5.050  -1.414  -1.414
  160    HB   ILE  25           HB       ILE  25   3.424  -3.969  -3.969
  161   1HG1  ILE  25          1HG1      ILE  25   5.578  -4.531  -4.531
  162   2HG1  ILE  25          2HG1      ILE  25   4.580  -4.433  -4.433
  163   1HG2  ILE  25          2HG2      ILE  25   3.215  -1.690  -1.690
  164   2HG2  ILE  25          3HG2      ILE  25   2.509  -3.307  -3.307
  165   3HG2  ILE  25          1HG2      ILE  25   1.958  -2.296  -2.296
  166   1HD1  ILE  25          2HD1      ILE  25   5.527  -2.089  -2.089
  167   2HD1  ILE  25          3HD1      ILE  25   6.659  -2.412  -2.412
  168   3HD1  ILE  25          1HD1      ILE  25   6.710  -3.399  -3.399
  169    H    CYS  26           H        CYS  26   3.511  -2.598  -2.598
  170    HA   CYS  26           HA       CYS  26   1.159  -0.984  -0.984
  171   1HB   CYS  26          1HB       CYS  26   1.468  -3.027  -3.027
  172   2HB   CYS  26          2HB       CYS  26   2.335  -2.033  -2.033
  173    H    GLU  27           H        GLU  27   4.298  -0.702  -0.702
  174    HA   GLU  27           HA       GLU  27   3.691   1.868   1.868
  175   1HB   GLU  27          1HB       GLU  27   5.591   0.275   0.275
  176   2HB   GLU  27          2HB       GLU  27   6.485   0.911   0.911
  177   1HG   GLU  27          1HG       GLU  27   5.994   3.262   3.262
  178   2HG   GLU  27          2HG       GLU  27   5.421   2.439   2.439
  179    H    LEU  28           H        LEU  28   5.165   0.773   0.773
  180    HA   LEU  28           HA       LEU  28   5.883   3.335   3.335
  181   1HB   LEU  28          1HB       LEU  28   5.433   0.585   0.585
  182   2HB   LEU  28          2HB       LEU  28   4.961   1.748   1.748
  183    HG   LEU  28           HG       LEU  28   7.221   0.851   0.851
  184   1HD1  LEU  28          3HD1      LEU  28   6.621   3.004   3.004
  185   2HD1  LEU  28          1HD1      LEU  28   7.089   3.861   3.861
  186   3HD1  LEU  28          2HD1      LEU  28   8.316   2.999   2.999
  187   1HD2  LEU  28          3HD2      LEU  28   7.872   0.665   0.665
  188   2HD2  LEU  28          1HD2      LEU  28   9.059   1.610   1.610
  189   3HD2  LEU  28          2HD2      LEU  28   7.941   2.435   2.435
  190    H    THR  29           H        THR  29   2.850   1.509   1.509
  191    HA   THR  29           HA       THR  29   1.464   3.470   3.470
  192    HB   THR  29           HB       THR  29   0.438   1.551   1.551
  193    HG1  THR  29          1HG       THR  29   1.444   0.454   0.454
  194   1HG2  THR  29          3HG2      THR  29  -1.060   3.157   3.157
  195   2HG2  THR  29          1HG2      THR  29  -1.763   1.772   1.772
  196   3HG2  THR  29          2HG2      THR  29  -1.269   3.205   3.205
  197    H    VAL  30           H        VAL  30   1.573   2.954   2.954
  198    HA   VAL  30           HA       VAL  30  -0.160   5.114   5.114
  199    HB   VAL  30           HB       VAL  30   1.901   3.650   3.650
  200   1HG1  VAL  30          2HG1      VAL  30   1.177   5.880   5.880
  201   2HG1  VAL  30          3HG1      VAL  30  -0.495   5.282   5.282
  202   3HG1  VAL  30          1HG1      VAL  30   0.653   4.478   4.478
  203   1HG2  VAL  30          2HG2      VAL  30  -1.132   3.382   3.382
  204   2HG2  VAL  30          3HG2      VAL  30   0.013   2.217   2.217
  205   3HG2  VAL  30          1HG2      VAL  30  -0.153   2.451   2.451
  206    H    MET  31           H        MET  31   3.431   5.026   5.026
  207    HA   MET  31           HA       MET  31   3.875   7.736   7.736
  208   1HB   MET  31          1HB       MET  31   5.497   5.636   5.636
  209   2HB   MET  31          2HB       MET  31   5.531   6.568   6.568
  210   1HG   MET  31          1HG       MET  31   6.051   8.625   8.625
  211   2HG   MET  31          2HG       MET  31   6.339   7.472   7.472
  212   1HE   MET  31          2HE       MET  31   8.431   9.641   9.641
  213   2HE   MET  31          3HE       MET  31   8.765   8.454   8.454
  214   3HE   MET  31          1HE       MET  31   9.926   8.680   8.680
  215    H    GLN  32           H        GLN  32   3.121   6.171   6.171
  216    HA   GLN  32           HA       GLN  32   3.482   8.442   8.442
  217   1HB   GLN  32          1HB       GLN  32   3.158   5.799   5.799
  218   2HB   GLN  32          2HB       GLN  32   1.527   6.370   6.370
  219   1HG   GLN  32          1HG       GLN  32   2.895   6.357   6.357
  220   2HG   GLN  32          2HG       GLN  32   2.507   8.032   8.032
  221   1HE2  GLN  32          2HE2      GLN  32   5.964   8.880   8.880
  222   2HE2  GLN  32          1HE2      GLN  32   4.293   9.417   9.417
  223    H    ASN  33           H        ASN  33   0.527   7.126   7.126
  224    HA   ASN  33           HA       ASN  33  -1.036   9.340   9.340
  225   1HB   ASN  33          1HB       ASN  33  -2.732   8.191   8.191
  226   2HB   ASN  33          2HB       ASN  33  -2.702   7.998   7.998
  227   1HD2  ASN  33          2HD2      ASN  33  -1.962   4.806   4.806
  228   2HD2  ASN  33          1HD2      ASN  33  -1.940   6.377   6.377
  229    H    CYS  34           H        CYS  34  -0.005   8.362   8.362
  230    HA   CYS  34           HA       CYS  34  -0.990  10.986  10.986
  231   1HB   CYS  34          1HB       CYS  34  -1.961   9.925   9.925
  232   2HB   CYS  34          2HB       CYS  34  -2.398   8.847   8.847
  233    H    GLU  35           H        GLU  35  -0.019  10.971  10.971
  234    HA   GLU  35           HA       GLU  35   2.919  10.543  10.543
  235   1HB   GLU  35          1HB       GLU  35   2.053  12.841  12.841
  236   2HB   GLU  35          2HB       GLU  35   1.477  12.289  12.289
  237   1HG   GLU  35          1HG       GLU  35   3.788  11.605  11.605
  238   2HG   GLU  35          2HG       GLU  35   4.364  12.085  12.085
  239    HA   PRO  36           HA       PRO  36   1.922   7.462   7.462
  240   1HB   PRO  36          1HB       PRO  36   3.888   5.632   5.632
  241   2HB   PRO  36          2HB       PRO  36   2.329   5.734   5.734
  242   1HG   PRO  36          1HG       PRO  36   5.039   6.840   6.840
  243   2HG   PRO  36          2HG       PRO  36   3.890   5.946   5.946
  244   1HD   PRO  36          1HD       PRO  36   4.121   8.711   8.711
  245   2HD   PRO  36          2HD       PRO  36   2.581   7.885   7.885
  246    HA   PRO  37           HA       PRO  37   3.014   5.602   5.602
  247   1HB   PRO  37          1HB       PRO  37   3.250   5.545   5.545
  248   2HB   PRO  37          2HB       PRO  37   4.552   4.986   4.986
  249   1HG   PRO  37          1HG       PRO  37   4.294   7.712   7.712
  250   2HG   PRO  37          2HG       PRO  37   5.729   6.641   6.641
  251   1HD   PRO  37          1HD       PRO  37   5.468   8.668   8.668
  252   2HD   PRO  37          2HD       PRO  37   6.143   7.097   7.097
  253    H    PHE  38           H        PHE  38   0.683   5.563   5.563
  254    HA   PHE  38           HA       PHE  38  -0.436   8.190   8.190
  255   1HB   PHE  38          1HB       PHE  38  -1.564   7.335   7.335
  256   2HB   PHE  38          2HB       PHE  38  -1.124   5.700   5.700
  257    HD1  PHE  38          1HD       PHE  38  -2.294   4.440   4.440
  258    HD2  PHE  38          2HD       PHE  38  -3.635   8.103   8.103
  259    HE1  PHE  38          1HE       PHE  38  -4.515   4.112   4.112
  260    HE2  PHE  38          2HE       PHE  38  -5.923   7.742   7.742
  261   1HZ   PHE  38           HZ       PHE  38  -6.372   5.671   5.671
  262    H    SER  39           H        SER  39  -2.202   8.281   8.281
  263    HA   SER  39           HA       SER  39  -1.152   7.063   7.063
  264   1HB   SER  39          1HB       SER  39  -3.061   8.748   8.748
  265   2HB   SER  39          2HB       SER  39  -1.371   9.172   9.172
  266    HG   SER  39           HG       SER  39  -1.865  10.497  10.497

  Start of MODEL    8
    1    HA   ASP   1           HA       ASP   1  -6.588 -10.471 -10.471
    2   1HB   ASP   1          1HB       ASP   1  -4.775  -9.143  -9.143
    3   2HB   ASP   1          2HB       ASP   1  -5.231 -10.062 -10.062
    4    H    GLU   2           H        GLU   2  -6.044  -8.739  -8.739
    5    HA   GLU   2           HA       GLU   2  -7.967  -6.462  -6.462
    6   1HB   GLU   2          1HB       GLU   2  -6.993  -8.301  -8.301
    7   2HB   GLU   2          2HB       GLU   2  -7.958  -6.834  -6.834
    8   1HG   GLU   2          1HG       GLU   2  -9.811  -7.770  -7.770
    9   2HG   GLU   2          2HG       GLU   2  -8.868  -9.202  -9.202
   10    H    CYS   3           H        CYS   3  -4.716  -7.710  -7.710
   11    HA   CYS   3           HA       CYS   3  -3.286  -5.618  -5.618
   12   1HB   CYS   3          1HB       CYS   3  -2.167  -7.630  -7.630
   13   2HB   CYS   3          2HB       CYS   3  -2.697  -7.403  -7.403
   14    H    ALA   4           H        ALA   4  -4.716  -5.750  -5.750
   15    HA   ALA   4           HA       ALA   4  -3.540  -3.286  -3.286
   16   1HB   ALA   4          3HB       ALA   4  -4.448  -4.973  -4.973
   17   2HB   ALA   4          1HB       ALA   4  -6.099  -4.611  -4.611
   18   3HB   ALA   4          2HB       ALA   4  -5.151  -3.368  -3.368
   19    H    ASN   5           H        ASN   5  -6.618  -4.126  -4.126
   20    HA   ASN   5           HA       ASN   5  -7.816  -1.543  -1.543
   21   1HB   ASN   5          1HB       ASN   5  -8.084  -3.673  -3.673
   22   2HB   ASN   5          2HB       ASN   5  -9.086  -2.234  -2.234
   23   1HD2  ASN   5          2HD2      ASN   5 -10.658  -5.321  -5.321
   24   2HD2  ASN   5          1HD2      ASN   5  -9.782  -5.178  -5.178
   25    H    ALA   6           H        ALA   6  -5.584  -3.002  -3.002
   26    HA   ALA   6           HA       ALA   6  -5.436  -0.831  -0.831
   27   1HB   ALA   6          2HB       ALA   6  -4.335  -2.991  -2.991
   28   2HB   ALA   6          3HB       ALA   6  -3.162  -2.653  -2.653
   29   3HB   ALA   6          1HB       ALA   6  -3.210  -1.614  -1.614
   30    H    ALA   7           H        ALA   7  -3.729  -1.266  -1.266
   31    HA   ALA   7           HA       ALA   7  -2.077   1.077   1.077
   32   1HB   ALA   7          2HB       ALA   7  -1.672  -0.780  -0.780
   33   2HB   ALA   7          3HB       ALA   7  -3.042  -0.167  -0.167
   34   3HB   ALA   7          1HB       ALA   7  -1.626   0.855   0.855
   35    H    ALA   8           H        ALA   8  -5.235   0.429   0.429
   36    HA   ALA   8           HA       ALA   8  -5.698   3.081   3.081
   37   1HB   ALA   8          1HB       ALA   8  -6.997   1.111   1.111
   38   2HB   ALA   8          2HB       ALA   8  -7.752   1.006   1.006
   39   3HB   ALA   8          3HB       ALA   8  -8.040   2.423   2.423
   40    H    GLN   9           H        GLN   9  -6.184   1.585   1.585
   41    HA   GLN   9           HA       GLN   9  -7.704   3.736   3.736
   42   1HB   GLN   9          1HB       GLN   9  -7.501   1.267   1.267
   43   2HB   GLN   9          2HB       GLN   9  -6.023   1.689   1.689
   44   1HG   GLN   9          1HG       GLN   9  -8.677   3.110   3.110
   45   2HG   GLN   9          2HG       GLN   9  -8.324   1.528   1.528
   46   1HE2  GLN   9          2HE2      GLN   9  -7.413   3.457   3.457
   47   2HE2  GLN   9          1HE2      GLN   9  -8.846   2.936   2.936
   48    H    CYS  10           H        CYS  10  -4.317   3.262   3.262
   49    HA   CYS  10           HA       CYS  10  -2.473   4.424   4.424
   50   1HB   CYS  10          1HB       CYS  10  -4.284   6.731   6.731
   51   2HB   CYS  10          2HB       CYS  10  -2.534   6.815   6.815
   52    H    SER  11           H        SER  11  -2.720   2.537   2.537
   53    HA   SER  11           HA       SER  11  -1.405   3.814   3.814
   54   1HB   SER  11          1HB       SER  11  -3.761   3.507   3.507
   55   2HB   SER  11          2HB       SER  11  -3.808   1.903   1.903
   56    HG   SER  11           HG       SER  11  -2.936   2.652   2.652
   57    H    ILE  12           H        ILE  12   0.337   3.019   3.019
   58    HA   ILE  12           HA       ILE  12   1.432   0.692   0.692
   59    HB   ILE  12           HB       ILE  12   2.187   2.762   2.762
   60   1HG1  ILE  12          1HG1      ILE  12   3.940   3.199   3.199
   61   2HG1  ILE  12          2HG1      ILE  12   3.357   1.756   1.756
   62   1HG2  ILE  12          3HG2      ILE  12   3.793   0.302   0.302
   63   2HG2  ILE  12          1HG2      ILE  12   4.451   1.719   1.719
   64   3HG2  ILE  12          2HG2      ILE  12   3.225   0.710   0.710
   65   1HD1  ILE  12          2HD1      ILE  12   1.672   4.225   4.225
   66   2HD1  ILE  12          3HD1      ILE  12   2.744   3.772   3.772
   67   3HD1  ILE  12          1HD1      ILE  12   1.390   2.750   2.750
   68    H    THR  13           H        THR  13  -0.179   1.356   1.356
   69    HA   THR  13           HA       THR  13   0.532  -1.178  -1.178
   70    HB   THR  13           HB       THR  13  -1.718   0.798   0.798
   71    HG1  THR  13          1HG       THR  13  -0.052   1.585   1.585
   72   1HG2  THR  13          1HG2      THR  13  -0.372  -1.324  -1.324
   73   2HG2  THR  13          2HG2      THR  13  -1.454  -0.049  -0.049
   74   3HG2  THR  13          3HG2      THR  13  -2.085  -1.267  -1.267
   75    H    LEU  14           H        LEU  14  -2.374  -0.001  -0.001
   76    HA   LEU  14           HA       LEU  14  -3.602  -2.648  -2.648
   77   1HB   LEU  14          1HB       LEU  14  -4.130  -0.224  -0.224
   78   2HB   LEU  14          2HB       LEU  14  -4.920  -1.739  -1.739
   79    HG   LEU  14           HG       LEU  14  -4.927  -0.740  -0.740
   80   1HD1  LEU  14          1HD1      LEU  14  -6.588   0.503   0.503
   81   2HD1  LEU  14          2HD1      LEU  14  -6.944   0.656   0.656
   82   3HD1  LEU  14          3HD1      LEU  14  -5.456   1.351   1.351
   83   1HD2  LEU  14          3HD2      LEU  14  -5.944  -2.859  -2.859
   84   2HD2  LEU  14          1HD2      LEU  14  -7.191  -1.717  -1.717
   85   3HD2  LEU  14          2HD2      LEU  14  -6.950  -1.943  -1.943
   86    H    CYS  15           H        CYS  15  -1.159  -1.131  -1.131
   87    HA   CYS  15           HA       CYS  15  -1.152  -3.152  -3.152
   88   1HB   CYS  15          1HB       CYS  15   1.283  -1.635  -1.635
   89   2HB   CYS  15          2HB       CYS  15   1.240  -2.663  -2.663
   90    H    ASN  16           H        ASN  16   1.066  -2.888  -2.888
   91    HA   ASN  16           HA       ASN  16   2.064  -5.536  -5.536
   92   1HB   ASN  16          1HB       ASN  16   3.228  -5.236  -5.236
   93   2HB   ASN  16          2HB       ASN  16   3.370  -3.802  -3.802
   94   1HD2  ASN  16          2HD2      ASN  16   2.602  -1.803  -1.803
   95   2HD2  ASN  16          1HD2      ASN  16   3.674  -2.178  -2.178
   96    H    LEU  17           H        LEU  17  -0.838  -4.540  -4.540
   97    HA   LEU  17           HA       LEU  17  -1.314  -6.825  -6.825
   98   1HB   LEU  17          1HB       LEU  17  -2.673  -4.765  -4.765
   99   2HB   LEU  17          2HB       LEU  17  -3.380  -5.386  -5.386
  100    HG   LEU  17           HG       LEU  17  -4.614  -5.598  -5.598
  101   1HD1  LEU  17          1HD1      LEU  17  -5.225  -6.744  -6.744
  102   2HD1  LEU  17          2HD1      LEU  17  -4.233  -8.133  -8.133
  103   3HD1  LEU  17          3HD1      LEU  17  -5.651  -7.668  -7.668
  104   1HD2  LEU  17          2HD2      LEU  17  -2.733  -6.537  -6.537
  105   2HD2  LEU  17          3HD2      LEU  17  -4.181  -7.551  -7.551
  106   3HD2  LEU  17          1HD2      LEU  17  -2.816  -8.042  -8.042
  107    H    TYR  18           H        TYR  18  -1.443  -6.602  -6.602
  108    HA   TYR  18           HA       TYR  18  -1.767  -9.605  -9.605
  109   1HB   TYR  18          1HB       TYR  18  -3.135  -7.503  -7.503
  110   2HB   TYR  18          2HB       TYR  18  -3.130  -9.212  -9.212
  111    HD1  TYR  18          2HD       TYR  18  -3.676 -10.470 -10.470
  112    HD2  TYR  18          1HD       TYR  18  -5.441  -7.077  -7.077
  113    HE1  TYR  18          2HE       TYR  18  -5.656 -10.649 -10.649
  114    HE2  TYR  18          1HE       TYR  18  -7.474  -7.335  -7.335
  115    HH   TYR  18           HH       TYR  18  -7.441  -9.445  -9.445
  116    H    CYS  19           H        CYS  19  -0.081  -6.888  -6.888
  117    HA   CYS  19           HA       CYS  19   0.133  -7.934  -7.934
  118   1HB   CYS  19          1HB       CYS  19   1.449  -5.634  -5.634
  119   2HB   CYS  19          2HB       CYS  19   1.767  -6.060  -6.060
  120    H    GLY  20           H        GLY  20   2.421  -8.439  -8.439
  121   1HA   GLY  20          1HA       GLY  20   4.565  -9.175  -9.175
  122   2HA   GLY  20          2HA       GLY  20   3.985 -10.383 -10.383
  123    HA   PRO  21           HA       PRO  21   7.350  -8.518  -8.518
  124   1HB   PRO  21          1HB       PRO  21   6.890  -9.671  -9.671
  125   2HB   PRO  21          2HB       PRO  21   7.573 -10.583 -10.583
  126   1HG   PRO  21          1HG       PRO  21   4.670 -10.458 -10.458
  127   2HG   PRO  21          2HG       PRO  21   5.639 -11.916 -11.916
  128   1HD   PRO  21          1HD       PRO  21   4.001 -10.870 -10.870
  129   2HD   PRO  21          2HD       PRO  21   5.591 -11.512 -11.512
  130    H    LEU  22           H        LEU  22   3.886  -8.413  -8.413
  131    HA   LEU  22           HA       LEU  22   4.206  -6.296  -6.296
  132   1HB   LEU  22          1HB       LEU  22   1.683  -7.162  -7.162
  133   2HB   LEU  22          2HB       LEU  22   1.832  -6.301  -6.301
  134    HG   LEU  22           HG       LEU  22   2.511  -9.222  -9.222
  135   1HD1  LEU  22          1HD1      LEU  22   0.119  -8.598  -8.598
  136   2HD1  LEU  22          2HD1      LEU  22   0.558  -7.929  -7.929
  137   3HD1  LEU  22          3HD1      LEU  22   0.745  -9.668  -9.668
  138   1HD2  LEU  22          2HD2      LEU  22   3.063  -7.535  -7.535
  139   2HD2  LEU  22          3HD2      LEU  22   4.242  -8.481  -8.481
  140   3HD2  LEU  22          1HD2      LEU  22   3.012  -9.319  -9.319
  141    H    ILE  23           H        ILE  23   4.652  -6.244  -6.244
  142    HA   ILE  23           HA       ILE  23   3.143  -3.915  -3.915
  143    HB   ILE  23           HB       ILE  23   5.796  -4.893  -4.893
  144   1HG1  ILE  23          1HG1      ILE  23   3.034  -4.923  -4.923
  145   2HG1  ILE  23          2HG1      ILE  23   3.612  -6.277  -6.277
  146   1HG2  ILE  23          3HG2      ILE  23   3.858  -2.773  -2.773
  147   2HG2  ILE  23          1HG2      ILE  23   5.290  -3.377  -3.377
  148   3HG2  ILE  23          2HG2      ILE  23   5.480  -2.455  -2.455
  149   1HD1  ILE  23          3HD1      ILE  23   5.521  -6.613  -6.613
  150   2HD1  ILE  23          1HD1      ILE  23   4.874  -5.341  -5.341
  151   3HD1  ILE  23          2HD1      ILE  23   3.937  -6.815  -6.815
  152    H    GLU  24           H        GLU  24   6.383  -4.443  -4.443
  153    HA   GLU  24           HA       GLU  24   6.884  -1.690  -1.690
  154   1HB   GLU  24          1HB       GLU  24   8.506  -3.685  -3.685
  155   2HB   GLU  24          2HB       GLU  24   7.672  -3.895  -3.895
  156   1HG   GLU  24          1HG       GLU  24   8.178  -1.408  -1.408
  157   2HG   GLU  24          2HG       GLU  24   9.203  -1.447  -1.447
  158    H    ILE  25           H        ILE  25   5.332  -3.801  -3.801
  159    HA   ILE  25           HA       ILE  25   4.838  -1.732  -1.732
  160    HB   ILE  25           HB       ILE  25   3.490  -4.362  -4.362
  161   1HG1  ILE  25          1HG1      ILE  25   4.153  -4.980  -4.980
  162   2HG1  ILE  25          2HG1      ILE  25   4.876  -3.377  -3.377
  163   1HG2  ILE  25          2HG2      ILE  25   2.386  -2.507  -2.507
  164   2HG2  ILE  25          3HG2      ILE  25   2.010  -4.232  -4.232
  165   3HG2  ILE  25          1HG2      ILE  25   1.545  -3.140  -3.140
  166   1HD1  ILE  25          3HD1      ILE  25   5.758  -5.532  -5.532
  167   2HD1  ILE  25          1HD1      ILE  25   6.539  -5.074  -5.074
  168   3HD1  ILE  25          2HD1      ILE  25   6.530  -3.942  -3.942
  169    H    CYS  26           H        CYS  26   3.098  -2.595  -2.595
  170    HA   CYS  26           HA       CYS  26   0.744  -0.987  -0.987
  171   1HB   CYS  26          1HB       CYS  26   0.991  -2.979  -2.979
  172   2HB   CYS  26          2HB       CYS  26   1.919  -1.988  -1.988
  173    H    GLU  27           H        GLU  27   3.775  -0.619  -0.619
  174    HA   GLU  27           HA       GLU  27   3.118   1.947   1.947
  175   1HB   GLU  27          1HB       GLU  27   4.751   0.215   0.215
  176   2HB   GLU  27          2HB       GLU  27   5.892   0.735   0.735
  177   1HG   GLU  27          1HG       GLU  27   5.966   2.976   2.976
  178   2HG   GLU  27          2HG       GLU  27   4.621   2.592   2.592
  179    H    LEU  28           H        LEU  28   4.766   0.778   0.778
  180    HA   LEU  28           HA       LEU  28   5.859   3.207   3.207
  181   1HB   LEU  28          1HB       LEU  28   5.454   0.401   0.401
  182   2HB   LEU  28          2HB       LEU  28   5.273   1.451   1.451
  183    HG   LEU  28           HG       LEU  28   7.549   0.510   0.510
  184   1HD1  LEU  28          3HD1      LEU  28   7.245   2.565   2.565
  185   2HD1  LEU  28          1HD1      LEU  28   7.483   3.558   3.558
  186   3HD1  LEU  28          2HD1      LEU  28   8.806   2.549   2.549
  187   1HD2  LEU  28          2HD2      LEU  28   7.515   0.764   0.764
  188   2HD2  LEU  28          3HD2      LEU  28   9.012   1.243   1.243
  189   3HD2  LEU  28          1HD2      LEU  28   7.895   2.477   2.477
  190    H    THR  29           H        THR  29   2.790   1.508   1.508
  191    HA   THR  29           HA       THR  29   1.667   3.533   3.533
  192    HB   THR  29           HB       THR  29   0.413   1.548   1.548
  193    HG1  THR  29          1HG       THR  29   1.440   0.641   0.641
  194   1HG2  THR  29          3HG2      THR  29  -0.978   3.335   3.335
  195   2HG2  THR  29          1HG2      THR  29  -1.721   1.982   1.982
  196   3HG2  THR  29          2HG2      THR  29  -1.166   3.391   3.391
  197    H    VAL  30           H        VAL  30   1.405   3.082   3.082
  198    HA   VAL  30           HA       VAL  30  -0.185   5.393   5.393
  199    HB   VAL  30           HB       VAL  30   1.738   4.062   4.062
  200   1HG1  VAL  30          1HG1      VAL  30   1.005   6.340   6.340
  201   2HG1  VAL  30          2HG1      VAL  30  -0.671   5.848   5.848
  202   3HG1  VAL  30          3HG1      VAL  30   0.301   5.054   5.054
  203   1HG2  VAL  30          2HG2      VAL  30  -1.188   3.623   3.623
  204   2HG2  VAL  30          3HG2      VAL  30   0.071   2.414   2.414
  205   3HG2  VAL  30          1HG2      VAL  30  -0.510   3.079   3.079
  206    H    MET  31           H        MET  31   3.367   5.104   5.104
  207    HA   MET  31           HA       MET  31   3.955   7.823   7.823
  208   1HB   MET  31          1HB       MET  31   5.361   5.532   5.532
  209   2HB   MET  31          2HB       MET  31   5.677   6.343   6.343
  210   1HG   MET  31          1HG       MET  31   6.490   8.338   8.338
  211   2HG   MET  31          2HG       MET  31   6.184   7.429   7.429
  212   1HE   MET  31          3HE       MET  31   7.424   5.096   5.096
  213   2HE   MET  31          1HE       MET  31   7.221   4.432   4.432
  214   3HE   MET  31          2HE       MET  31   8.820   4.492   4.492
  215    H    GLN  32           H        GLN  32   3.271   6.129   6.129
  216    HA   GLN  32           HA       GLN  32   3.794   8.330   8.330
  217   1HB   GLN  32          1HB       GLN  32   3.366   5.733   5.733
  218   2HB   GLN  32          2HB       GLN  32   1.761   6.373   6.373
  219   1HG   GLN  32          1HG       GLN  32   3.078   8.208   8.208
  220   2HG   GLN  32          2HG       GLN  32   4.481   7.164   7.164
  221   1HE2  GLN  32          2HE2      GLN  32   1.396   6.156   6.156
  222   2HE2  GLN  32          1HE2      GLN  32   1.184   7.401   7.401
  223    H    ASN  33           H        ASN  33   0.952   7.654   7.654
  224    HA   ASN  33           HA       ASN  33  -0.474   9.917   9.917
  225   1HB   ASN  33          1HB       ASN  33  -2.371   8.653   8.653
  226   2HB   ASN  33          2HB       ASN  33  -2.241   8.677   8.677
  227   1HD2  ASN  33          2HD2      ASN  33  -1.849   5.216   5.216
  228   2HD2  ASN  33          1HD2      ASN  33  -1.996   6.715   6.715
  229    H    CYS  34           H        CYS  34  -0.033   8.483   8.483
  230    HA   CYS  34           HA       CYS  34  -0.989  10.971  10.971
  231   1HB   CYS  34          1HB       CYS  34  -0.710   8.059   8.059
  232   2HB   CYS  34          2HB       CYS  34  -1.093   9.322   9.322
  233    H    GLU  35           H        GLU  35   0.251  10.820  10.820
  234    HA   GLU  35           HA       GLU  35   3.188  10.735  10.735
  235   1HB   GLU  35          1HB       GLU  35   2.533  13.010  13.010
  236   2HB   GLU  35          2HB       GLU  35   1.644  12.611  12.611
  237   1HG   GLU  35          1HG       GLU  35   3.758  13.648  13.648
  238   2HG   GLU  35          2HG       GLU  35   3.823  11.974  11.974
  239    HA   PRO  36           HA       PRO  36   2.337   7.683   7.683
  240   1HB   PRO  36          1HB       PRO  36   3.849   5.599   5.599
  241   2HB   PRO  36          2HB       PRO  36   2.237   6.049   6.049
  242   1HG   PRO  36          1HG       PRO  36   5.017   6.749   6.749
  243   2HG   PRO  36          2HG       PRO  36   3.659   6.096   6.096
  244   1HD   PRO  36          1HD       PRO  36   4.316   8.802   8.802
  245   2HD   PRO  36          2HD       PRO  36   2.639   8.235   8.235
  246    HA   PRO  37           HA       PRO  37   3.474   5.380   5.380
  247   1HB   PRO  37          1HB       PRO  37   4.047   4.963   4.963
  248   2HB   PRO  37          2HB       PRO  37   5.120   4.443   4.443
  249   1HG   PRO  37          1HG       PRO  37   5.348   6.950   6.950
  250   2HG   PRO  37          2HG       PRO  37   6.632   5.774   5.774
  251   1HD   PRO  37          1HD       PRO  37   6.313   8.095   8.095
  252   2HD   PRO  37          2HD       PRO  37   6.743   6.572   6.572
  253    H    PHE  38           H        PHE  38   1.299   5.389   5.389
  254    HA   PHE  38           HA       PHE  38  -0.101   7.438   7.438
  255   1HB   PHE  38          1HB       PHE  38  -1.110   5.709   5.709
  256   2HB   PHE  38          2HB       PHE  38  -0.089   4.454   4.454
  257    HD1  PHE  38          1HD       PHE  38  -0.336   3.595   3.595
  258    HD2  PHE  38          2HD       PHE  38  -3.208   5.854   5.854
  259    HE1  PHE  38          1HE       PHE  38  -2.108   2.878   2.878
  260    HE2  PHE  38          2HE       PHE  38  -5.058   5.058   5.058
  261   1HZ   PHE  38           HZ       PHE  38  -4.466   3.541   3.541
  262    H    SER  39           H        SER  39  -0.271   8.178   8.178
  263    HA   SER  39           HA       SER  39   1.544   7.129   7.129
  264   1HB   SER  39          1HB       SER  39   0.610   9.146   9.146
  265   2HB   SER  39          2HB       SER  39   1.711   9.353   9.353
  266    HG   SER  39           HG       SER  39  -1.001   9.965   9.965

  Start of MODEL    9
    1    HA   ASP   1           HA       ASP   1  -8.613  -9.198  -9.198
    2   1HB   ASP   1          1HB       ASP   1  -6.831  -9.751  -9.751
    3   2HB   ASP   1          2HB       ASP   1  -6.138  -8.112  -8.112
    4    H    GLU   2           H        GLU   2  -7.349  -8.713  -8.713
    5    HA   GLU   2           HA       GLU   2  -8.021  -6.040  -6.040
    6   1HB   GLU   2          1HB       GLU   2  -6.685  -8.445  -8.445
    7   2HB   GLU   2          2HB       GLU   2  -6.894  -6.872  -6.872
    8   1HG   GLU   2          1HG       GLU   2  -9.271  -8.415  -8.415
    9   2HG   GLU   2          2HG       GLU   2  -8.642  -8.620  -8.620
   10    H    CYS   3           H        CYS   3  -4.976  -7.687  -7.687
   11    HA   CYS   3           HA       CYS   3  -3.341  -5.532  -5.532
   12   1HB   CYS   3          1HB       CYS   3  -2.276  -7.590  -7.590
   13   2HB   CYS   3          2HB       CYS   3  -2.899  -7.368  -7.368
   14    H    ALA   4           H        ALA   4  -4.920  -6.121  -6.121
   15    HA   ALA   4           HA       ALA   4  -4.112  -3.727  -3.727
   16   1HB   ALA   4          1HB       ALA   4  -6.682  -5.350  -5.350
   17   2HB   ALA   4          2HB       ALA   4  -6.091  -4.123  -4.123
   18   3HB   ALA   4          3HB       ALA   4  -5.154  -5.604  -5.604
   19    H    ASN   5           H        ASN   5  -7.021  -4.419  -4.419
   20    HA   ASN   5           HA       ASN   5  -8.143  -1.802  -1.802
   21   1HB   ASN   5          1HB       ASN   5  -9.498  -3.577  -3.577
   22   2HB   ASN   5          2HB       ASN   5  -8.276  -3.909  -3.909
   23   1HD2  ASN   5          2HD2      ASN   5  -9.465  -1.500  -1.500
   24   2HD2  ASN   5          1HD2      ASN   5  -8.359  -2.807  -2.807
   25    H    ALA   6           H        ALA   6  -5.809  -3.212  -3.212
   26    HA   ALA   6           HA       ALA   6  -5.583  -1.090  -1.090
   27   1HB   ALA   6          2HB       ALA   6  -4.547  -3.319  -3.319
   28   2HB   ALA   6          3HB       ALA   6  -3.357  -2.970  -2.970
   29   3HB   ALA   6          1HB       ALA   6  -3.366  -2.019  -2.019
   30    H    ALA   7           H        ALA   7  -3.765  -1.647  -1.647
   31    HA   ALA   7           HA       ALA   7  -2.305   0.821   0.821
   32   1HB   ALA   7          1HB       ALA   7  -1.644  -1.039  -1.039
   33   2HB   ALA   7          2HB       ALA   7  -3.098  -0.742  -0.742
   34   3HB   ALA   7          3HB       ALA   7  -1.832   0.501   0.501
   35    H    ALA   8           H        ALA   8  -5.450   0.011   0.011
   36    HA   ALA   8           HA       ALA   8  -5.946   2.626   2.626
   37   1HB   ALA   8          3HB       ALA   8  -7.229   0.554   0.554
   38   2HB   ALA   8          1HB       ALA   8  -8.012   0.626   0.626
   39   3HB   ALA   8          2HB       ALA   8  -8.248   1.937   1.937
   40    H    GLN   9           H        GLN   9  -6.219   1.312   1.312
   41    HA   GLN   9           HA       GLN   9  -7.711   3.574   3.574
   42   1HB   GLN   9          1HB       GLN   9  -7.773   1.032   1.032
   43   2HB   GLN   9          2HB       GLN   9  -6.349   1.429   1.429
   44   1HG   GLN   9          1HG       GLN   9  -7.712   3.146   3.146
   45   2HG   GLN   9          2HG       GLN   9  -9.082   2.812   2.812
   46   1HE2  GLN   9          2HE2      GLN   9  -9.357   0.970   0.970
   47   2HE2  GLN   9          1HE2      GLN   9  -8.966   2.641   2.641
   48    H    CYS  10           H        CYS  10  -4.530   3.183   3.183
   49    HA   CYS  10           HA       CYS  10  -2.714   4.443   4.443
   50   1HB   CYS  10          1HB       CYS  10  -4.853   6.438   6.438
   51   2HB   CYS  10          2HB       CYS  10  -3.164   6.867   6.867
   52    H    SER  11           H        SER  11  -3.049   2.578   2.578
   53    HA   SER  11           HA       SER  11  -1.857   4.118   4.118
   54   1HB   SER  11          1HB       SER  11  -4.018   2.879   2.879
   55   2HB   SER  11          2HB       SER  11  -3.189   1.394   1.394
   56    HG   SER  11           HG       SER  11  -3.057   2.881   2.881
   57    H    ILE  12           H        ILE  12  -0.605   2.667   2.667
   58    HA   ILE  12           HA       ILE  12   1.408   1.138   1.138
   59    HB   ILE  12           HB       ILE  12   1.876   2.946   2.946
   60   1HG1  ILE  12          1HG1      ILE  12   1.635   4.302   4.302
   61   2HG1  ILE  12          2HG1      ILE  12   3.358   4.179   4.179
   62   1HG2  ILE  12          1HG2      ILE  12   3.792   1.110   1.110
   63   2HG2  ILE  12          2HG2      ILE  12   4.292   2.361   2.361
   64   3HG2  ILE  12          3HG2      ILE  12   3.321   0.995   0.995
   65   1HD1  ILE  12          2HD1      ILE  12   3.575   2.459   2.459
   66   2HD1  ILE  12          3HD1      ILE  12   1.910   2.836   2.836
   67   3HD1  ILE  12          1HD1      ILE  12   3.138   4.085   4.085
   68    H    THR  13           H        THR  13  -0.760   1.507   1.507
   69    HA   THR  13           HA       THR  13   0.254  -0.829  -0.829
   70    HB   THR  13           HB       THR  13  -2.324   0.797   0.797
   71    HG1  THR  13          1HG       THR  13   0.110   1.422   1.422
   72   1HG2  THR  13          2HG2      THR  13  -1.189  -1.346  -1.346
   73   2HG2  THR  13          3HG2      THR  13  -2.498  -0.223  -0.223
   74   3HG2  THR  13          1HG2      THR  13  -2.742  -1.401  -1.401
   75    H    LEU  14           H        LEU  14  -2.513  -0.080  -0.080
   76    HA   LEU  14           HA       LEU  14  -3.376  -2.815  -2.815
   77   1HB   LEU  14          1HB       LEU  14  -4.043  -0.553  -0.553
   78   2HB   LEU  14          2HB       LEU  14  -4.735  -2.134  -2.134
   79    HG   LEU  14           HG       LEU  14  -4.796  -0.808  -0.808
   80   1HD1  LEU  14          2HD1      LEU  14  -6.473   0.004   0.004
   81   2HD1  LEU  14          3HD1      LEU  14  -6.893   0.369   0.369
   82   3HD1  LEU  14          1HD1      LEU  14  -5.436   1.063   1.063
   83   1HD2  LEU  14          3HD2      LEU  14  -5.610  -3.119  -3.119
   84   2HD2  LEU  14          1HD2      LEU  14  -6.883  -2.039  -2.039
   85   3HD2  LEU  14          2HD2      LEU  14  -6.754  -2.382  -2.382
   86    H    CYS  15           H        CYS  15  -1.037  -1.018  -1.018
   87    HA   CYS  15           HA       CYS  15  -0.477  -3.030  -3.030
   88   1HB   CYS  15          1HB       CYS  15   1.611  -1.254  -1.254
   89   2HB   CYS  15          2HB       CYS  15   1.918  -2.359  -2.359
   90    H    ASN  16           H        ASN  16   1.331  -2.597  -2.597
   91    HA   ASN  16           HA       ASN  16   2.388  -5.244  -5.244
   92   1HB   ASN  16          1HB       ASN  16   2.319  -3.741  -3.741
   93   2HB   ASN  16          2HB       ASN  16   3.379  -5.072  -5.072
   94   1HD2  ASN  16          2HD2      ASN  16   4.423  -1.246  -1.246
   95   2HD2  ASN  16          1HD2      ASN  16   2.788  -1.545  -1.545
   96    H    LEU  17           H        LEU  17  -0.749  -4.335  -4.335
   97    HA   LEU  17           HA       LEU  17  -1.258  -6.451  -6.451
   98   1HB   LEU  17          1HB       LEU  17  -2.708  -4.497  -4.497
   99   2HB   LEU  17          2HB       LEU  17  -3.222  -5.569  -5.569
  100    HG   LEU  17           HG       LEU  17  -4.866  -5.668  -5.668
  101   1HD1  LEU  17          2HD1      LEU  17  -4.072  -8.009  -8.009
  102   2HD1  LEU  17          3HD1      LEU  17  -3.154  -7.984  -7.984
  103   3HD1  LEU  17          1HD1      LEU  17  -4.922  -7.852  -7.852
  104   1HD2  LEU  17          3HD2      LEU  17  -3.785  -4.380  -4.380
  105   2HD2  LEU  17          1HD2      LEU  17  -4.531  -5.831  -5.831
  106   3HD2  LEU  17          2HD2      LEU  17  -2.770  -5.769  -5.769
  107    H    TYR  18           H        TYR  18  -1.546  -6.480  -6.480
  108    HA   TYR  18           HA       TYR  18  -1.394  -9.496  -9.496
  109   1HB   TYR  18          1HB       TYR  18  -3.234  -7.688  -7.688
  110   2HB   TYR  18          2HB       TYR  18  -3.043  -9.413  -9.413
  111    HD1  TYR  18          2HD       TYR  18  -3.208 -10.863 -10.863
  112    HD2  TYR  18          1HD       TYR  18  -5.259  -7.191  -7.191
  113    HE1  TYR  18          2HE       TYR  18  -5.185 -11.601 -11.601
  114    HE2  TYR  18          1HE       TYR  18  -7.285  -8.037  -8.037
  115    HH   TYR  18           HH       TYR  18  -8.113  -9.789  -9.789
  116    H    CYS  19           H        CYS  19   0.033  -6.670  -6.670
  117    HA   CYS  19           HA       CYS  19  -0.156  -7.786  -7.786
  118   1HB   CYS  19          1HB       CYS  19   1.390  -5.444  -5.444
  119   2HB   CYS  19          2HB       CYS  19   1.539  -5.986  -5.986
  120    H    GLY  20           H        GLY  20   2.255  -8.532  -8.532
  121   1HA   GLY  20          1HA       GLY  20   4.296  -9.570  -9.570
  122   2HA   GLY  20          2HA       GLY  20   3.485 -10.583 -10.583
  123    HA   PRO  21           HA       PRO  21   6.819  -8.896  -8.896
  124   1HB   PRO  21          1HB       PRO  21   6.232  -9.972  -9.972
  125   2HB   PRO  21          2HB       PRO  21   6.819 -10.979 -10.979
  126   1HG   PRO  21          1HG       PRO  21   3.977 -10.575 -10.575
  127   2HG   PRO  21          2HG       PRO  21   4.770 -12.107 -12.107
  128   1HD   PRO  21          1HD       PRO  21   3.155 -10.704 -10.704
  129   2HD   PRO  21          2HD       PRO  21   4.508 -11.697 -11.697
  130    H    LEU  22           H        LEU  22   3.390  -8.419  -8.419
  131    HA   LEU  22           HA       LEU  22   3.804  -6.321  -6.321
  132   1HB   LEU  22          1HB       LEU  22   1.337  -7.034  -7.034
  133   2HB   LEU  22          2HB       LEU  22   1.454  -5.980  -5.980
  134    HG   LEU  22           HG       LEU  22   2.556  -8.307  -8.307
  135   1HD1  LEU  22          1HD1      LEU  22   0.323  -9.156  -9.156
  136   2HD1  LEU  22          2HD1      LEU  22   1.018 -10.163 -10.163
  137   3HD1  LEU  22          3HD1      LEU  22   2.011  -9.678  -9.678
  138   1HD2  LEU  22          3HD2      LEU  22   0.776  -6.917  -6.917
  139   2HD2  LEU  22          1HD2      LEU  22   0.425  -8.659  -8.659
  140   3HD2  LEU  22          2HD2      LEU  22  -0.405  -7.642  -7.642
  141    H    ILE  23           H        ILE  23   4.294  -6.485  -6.485
  142    HA   ILE  23           HA       ILE  23   3.213  -4.040  -4.040
  143    HB   ILE  23           HB       ILE  23   5.775  -5.460  -5.460
  144   1HG1  ILE  23          1HG1      ILE  23   3.143  -5.129  -5.129
  145   2HG1  ILE  23          2HG1      ILE  23   3.459  -6.463  -6.463
  146   1HG2  ILE  23          3HG2      ILE  23   6.004  -3.055  -3.055
  147   2HG2  ILE  23          1HG2      ILE  23   4.426  -3.112  -3.112
  148   3HG2  ILE  23          2HG2      ILE  23   5.805  -4.057  -4.057
  149   1HD1  ILE  23          3HD1      ILE  23   5.481  -7.072  -7.072
  150   2HD1  ILE  23          1HD1      ILE  23   4.933  -5.866  -5.866
  151   3HD1  ILE  23          2HD1      ILE  23   3.909  -7.255  -7.255
  152    H    GLU  24           H        GLU  24   6.244  -4.685  -4.685
  153    HA   GLU  24           HA       GLU  24   7.134  -1.985  -1.985
  154   1HB   GLU  24          1HB       GLU  24   8.576  -4.058  -4.058
  155   2HB   GLU  24          2HB       GLU  24   7.768  -4.198  -4.198
  156   1HG   GLU  24          1HG       GLU  24   8.771  -1.963  -1.963
  157   2HG   GLU  24          2HG       GLU  24   9.656  -1.978  -1.978
  158    H    ILE  25           H        ILE  25   5.631  -3.597  -3.597
  159    HA   ILE  25           HA       ILE  25   5.363  -1.234  -1.234
  160    HB   ILE  25           HB       ILE  25   3.547  -3.675  -3.675
  161   1HG1  ILE  25          1HG1      ILE  25   5.763  -4.452  -4.452
  162   2HG1  ILE  25          2HG1      ILE  25   4.764  -4.546  -4.546
  163   1HG2  ILE  25          3HG2      ILE  25   3.734  -1.553  -1.553
  164   2HG2  ILE  25          1HG2      ILE  25   2.871  -3.098  -3.098
  165   3HG2  ILE  25          2HG2      ILE  25   2.339  -1.940  -1.940
  166   1HD1  ILE  25          2HD1      ILE  25   5.801  -2.450  -2.450
  167   2HD1  ILE  25          3HD1      ILE  25   6.871  -2.423  -2.423
  168   3HD1  ILE  25          1HD1      ILE  25   6.954  -3.766  -3.766
  169    H    CYS  26           H        CYS  26   3.517  -2.442  -2.442
  170    HA   CYS  26           HA       CYS  26   1.191  -0.807  -0.807
  171   1HB   CYS  26          1HB       CYS  26   1.255  -2.857  -2.857
  172   2HB   CYS  26          2HB       CYS  26   2.286  -2.112  -2.112
  173    H    GLU  27           H        GLU  27   4.122  -0.651  -0.651
  174    HA   GLU  27           HA       GLU  27   3.522   1.894   1.894
  175   1HB   GLU  27          1HB       GLU  27   5.197   0.328   0.328
  176   2HB   GLU  27          2HB       GLU  27   6.258   0.612   0.612
  177   1HG   GLU  27          1HG       GLU  27   6.506   2.939   2.939
  178   2HG   GLU  27          2HG       GLU  27   5.185   2.848   2.848
  179    H    LEU  28           H        LEU  28   5.274   0.908   0.908
  180    HA   LEU  28           HA       LEU  28   6.174   3.490   3.490
  181   1HB   LEU  28          1HB       LEU  28   6.026   0.781   0.781
  182   2HB   LEU  28          2HB       LEU  28   5.811   1.971   1.971
  183    HG   LEU  28           HG       LEU  28   8.110   1.225   1.225
  184   1HD1  LEU  28          2HD1      LEU  28   7.702   3.448   3.448
  185   2HD1  LEU  28          3HD1      LEU  28   7.714   4.199   4.199
  186   3HD1  LEU  28          1HD1      LEU  28   9.189   3.472   3.472
  187   1HD2  LEU  28          1HD2      LEU  28   8.125   0.862   0.862
  188   2HD2  LEU  28          2HD2      LEU  28   9.480   1.862   1.862
  189   3HD2  LEU  28          3HD2      LEU  28   8.116   2.614   2.614
  190    H    THR  29           H        THR  29   3.291   1.766   1.766
  191    HA   THR  29           HA       THR  29   2.488   4.025   4.025
  192    HB   THR  29           HB       THR  29   0.813   1.747   1.747
  193    HG1  THR  29          1HG       THR  29   2.669   2.016   2.016
  194   1HG2  THR  29          2HG2      THR  29   0.326   3.673   3.673
  195   2HG2  THR  29          3HG2      THR  29  -0.681   2.268   2.268
  196   3HG2  THR  29          1HG2      THR  29  -0.588   3.627   3.627
  197    H    VAL  30           H        VAL  30   1.734   3.089   3.089
  198    HA   VAL  30           HA       VAL  30  -0.129   5.237   5.237
  199    HB   VAL  30           HB       VAL  30   1.558   3.659   3.659
  200   1HG1  VAL  30          1HG1      VAL  30  -0.693   5.649   5.649
  201   2HG1  VAL  30          2HG1      VAL  30   0.039   4.558   4.558
  202   3HG1  VAL  30          3HG1      VAL  30   1.003   5.840   5.840
  203   1HG2  VAL  30          1HG2      VAL  30  -1.356   3.584   3.584
  204   2HG2  VAL  30          2HG2      VAL  30  -0.186   2.334   2.334
  205   3HG2  VAL  30          3HG2      VAL  30  -0.733   2.646   2.646
  206    H    MET  31           H        MET  31   3.437   5.115   5.115
  207    HA   MET  31           HA       MET  31   3.749   7.786   7.786
  208   1HB   MET  31          1HB       MET  31   5.412   5.735   5.735
  209   2HB   MET  31          2HB       MET  31   5.691   6.453   6.453
  210   1HG   MET  31          1HG       MET  31   6.599   8.395   8.395
  211   2HG   MET  31          2HG       MET  31   5.875   8.200   8.200
  212   1HE   MET  31          1HE       MET  31   8.247   6.279   6.279
  213   2HE   MET  31          2HE       MET  31   9.297   5.405   5.405
  214   3HE   MET  31          3HE       MET  31   7.587   4.961   4.961
  215    H    GLN  32           H        GLN  32   3.705   6.387   6.387
  216    HA   GLN  32           HA       GLN  32   4.146   8.623   8.623
  217   1HB   GLN  32          1HB       GLN  32   3.989   6.129   6.129
  218   2HB   GLN  32          2HB       GLN  32   2.253   6.468   6.468
  219   1HG   GLN  32          1HG       GLN  32   2.922   8.357   8.357
  220   2HG   GLN  32          2HG       GLN  32   4.556   7.675   7.675
  221   1HE2  GLN  32          2HE2      GLN  32   2.595   6.268   6.268
  222   2HE2  GLN  32          1HE2      GLN  32   3.293   7.822   7.822
  223    H    ASN  33           H        ASN  33   1.077   7.523   7.523
  224    HA   ASN  33           HA       ASN  33  -0.358   9.783   9.783
  225   1HB   ASN  33          1HB       ASN  33  -2.075   8.457   8.457
  226   2HB   ASN  33          2HB       ASN  33  -0.816   7.205   7.205
  227   1HD2  ASN  33          2HD2      ASN  33  -2.118   5.589   5.589
  228   2HD2  ASN  33          1HD2      ASN  33  -0.638   5.953   5.953
  229    H    CYS  34           H        CYS  34   0.622   8.914   8.914
  230    HA   CYS  34           HA       CYS  34  -1.304  10.773  10.773
  231   1HB   CYS  34          1HB       CYS  34  -1.060   7.807   7.807
  232   2HB   CYS  34          2HB       CYS  34  -1.494   8.889   8.889
  233    H    GLU  35           H        GLU  35  -0.540  10.959  10.959
  234    HA   GLU  35           HA       GLU  35   2.440  11.228  11.228
  235   1HB   GLU  35          1HB       GLU  35   0.882  13.246  13.246
  236   2HB   GLU  35          2HB       GLU  35   0.498  12.733  12.733
  237   1HG   GLU  35          1HG       GLU  35   3.117  12.694  12.694
  238   2HG   GLU  35          2HG       GLU  35   3.110  13.663  13.663
  239    HA   PRO  36           HA       PRO  36   1.331   8.086   8.086
  240   1HB   PRO  36          1HB       PRO  36   3.299   6.210   6.210
  241   2HB   PRO  36          2HB       PRO  36   1.729   6.264   6.264
  242   1HG   PRO  36          1HG       PRO  36   4.401   7.456   7.456
  243   2HG   PRO  36          2HG       PRO  36   3.333   6.404   6.404
  244   1HD   PRO  36          1HD       PRO  36   3.290   9.119   9.119
  245   2HD   PRO  36          2HD       PRO  36   1.768   8.163   8.163
  246    HA   PRO  37           HA       PRO  37   2.558   6.245   6.245
  247   1HB   PRO  37          1HB       PRO  37   2.654   6.272   6.272
  248   2HB   PRO  37          2HB       PRO  37   4.057   5.840   5.840
  249   1HG   PRO  37          1HG       PRO  37   3.438   8.538   8.538
  250   2HG   PRO  37          2HG       PRO  37   4.976   7.625   7.625
  251   1HD   PRO  37          1HD       PRO  37   4.617   9.585   9.585
  252   2HD   PRO  37          2HD       PRO  37   5.476   8.083   8.083
  253    H    PHE  38           H        PHE  38   0.363   5.956   5.956
  254    HA   PHE  38           HA       PHE  38  -1.528   8.022   8.022
  255   1HB   PHE  38          1HB       PHE  38  -1.896   6.077   6.077
  256   2HB   PHE  38          2HB       PHE  38  -1.367   5.016   5.016
  257    HD1  PHE  38          2HD       PHE  38  -2.761   4.885   4.885
  258    HD2  PHE  38          1HD       PHE  38  -4.077   5.911   5.911
  259    HE1  PHE  38          2HE       PHE  38  -4.936   3.779   3.779
  260    HE2  PHE  38          1HE       PHE  38  -6.218   4.719   4.719
  261   1HZ   PHE  38           HZ       PHE  38  -6.646   3.637   3.637
  262    H    SER  39           H        SER  39  -2.107   9.088   9.088
  263    HA   SER  39           HA       SER  39  -0.800   8.614   8.614
  264   1HB   SER  39          1HB       SER  39  -3.433  10.090  10.090
  265   2HB   SER  39          2HB       SER  39  -2.167  10.386  10.386
  266    HG   SER  39           HG       SER  39  -2.057  11.878  11.878

  Start of MODEL   10
    1    HA   ASP   1           HA       ASP   1  -7.615  -9.093  -9.093
    2   1HB   ASP   1          1HB       ASP   1  -5.810  -9.227  -9.227
    3   2HB   ASP   1          2HB       ASP   1  -5.147  -7.708  -7.708
    4    H    GLU   2           H        GLU   2  -6.455  -8.558  -8.558
    5    HA   GLU   2           HA       GLU   2  -7.614  -6.047  -6.047
    6   1HB   GLU   2          1HB       GLU   2  -6.481  -8.493  -8.493
    7   2HB   GLU   2          2HB       GLU   2  -6.619  -6.964  -6.964
    8   1HG   GLU   2          1HG       GLU   2  -8.629  -8.486  -8.486
    9   2HG   GLU   2          2HG       GLU   2  -8.957  -6.828  -6.828
   10    H    CYS   3           H        CYS   3  -4.475  -7.304  -7.304
   11    HA   CYS   3           HA       CYS   3  -2.938  -5.192  -5.192
   12   1HB   CYS   3          1HB       CYS   3  -1.967  -7.260  -7.260
   13   2HB   CYS   3          2HB       CYS   3  -2.489  -6.651  -6.651
   14    H    ALA   4           H        ALA   4  -4.674  -5.531  -5.531
   15    HA   ALA   4           HA       ALA   4  -3.980  -2.960  -2.960
   16   1HB   ALA   4          2HB       ALA   4  -4.829  -4.798  -4.798
   17   2HB   ALA   4          3HB       ALA   4  -6.404  -4.681  -4.681
   18   3HB   ALA   4          1HB       ALA   4  -5.812  -3.320  -3.320
   19    H    ASN   5           H        ASN   5  -6.850  -4.161  -4.161
   20    HA   ASN   5           HA       ASN   5  -8.175  -1.653  -1.653
   21   1HB   ASN   5          1HB       ASN   5  -8.208  -4.011  -4.011
   22   2HB   ASN   5          2HB       ASN   5  -9.150  -2.561  -2.561
   23   1HD2  ASN   5          2HD2      ASN   5 -11.017  -5.208  -5.208
   24   2HD2  ASN   5          1HD2      ASN   5  -9.841  -5.599  -5.599
   25    H    ALA   6           H        ALA   6  -5.777  -3.052  -3.052
   26    HA   ALA   6           HA       ALA   6  -5.698  -0.916  -0.916
   27   1HB   ALA   6          1HB       ALA   6  -3.438  -2.749  -2.749
   28   2HB   ALA   6          2HB       ALA   6  -3.422  -1.685  -1.685
   29   3HB   ALA   6          3HB       ALA   6  -4.567  -3.042  -3.042
   30    H    ALA   7           H        ALA   7  -3.789  -1.381  -1.381
   31    HA   ALA   7           HA       ALA   7  -2.377   1.072   1.072
   32   1HB   ALA   7          3HB       ALA   7  -1.824  -0.748  -0.748
   33   2HB   ALA   7          1HB       ALA   7  -3.279  -0.308  -0.308
   34   3HB   ALA   7          2HB       ALA   7  -1.957   0.863   0.863
   35    H    ALA   8           H        ALA   8  -5.589   0.339   0.339
   36    HA   ALA   8           HA       ALA   8  -5.997   2.993   2.993
   37   1HB   ALA   8          1HB       ALA   8  -7.306   0.999   0.999
   38   2HB   ALA   8          2HB       ALA   8  -8.068   0.909   0.909
   39   3HB   ALA   8          3HB       ALA   8  -8.348   2.318   2.318
   40    H    GLN   9           H        GLN   9  -6.600   1.469   1.469
   41    HA   GLN   9           HA       GLN   9  -8.020   3.678   3.678
   42   1HB   GLN   9          1HB       GLN   9  -8.181   1.261   1.261
   43   2HB   GLN   9          2HB       GLN   9  -6.587   1.317   1.317
   44   1HG   GLN   9          1HG       GLN   9  -8.862   3.140   3.140
   45   2HG   GLN   9          2HG       GLN   9  -8.720   1.469   1.469
   46   1HE2  GLN   9          2HE2      GLN   9  -7.087   3.650   3.650
   47   2HE2  GLN   9          1HE2      GLN   9  -8.732   3.231   3.231
   48    H    CYS  10           H        CYS  10  -4.671   2.871   2.871
   49    HA   CYS  10           HA       CYS  10  -2.768   4.006   4.006
   50   1HB   CYS  10          1HB       CYS  10  -4.610   6.391   6.391
   51   2HB   CYS  10          2HB       CYS  10  -2.865   6.522   6.522
   52    H    SER  11           H        SER  11  -2.809   2.430   2.430
   53    HA   SER  11           HA       SER  11  -1.509   3.976   3.976
   54   1HB   SER  11          1HB       SER  11  -3.783   3.597   3.597
   55   2HB   SER  11          2HB       SER  11  -3.789   1.944   1.944
   56    HG   SER  11           HG       SER  11  -3.292   2.403   2.403
   57    H    ILE  12           H        ILE  12   0.155   3.079   3.079
   58    HA   ILE  12           HA       ILE  12   1.359   0.883   0.883
   59    HB   ILE  12           HB       ILE  12   2.340   2.590   2.590
   60   1HG1  ILE  12          1HG1      ILE  12   1.885   4.041   4.041
   61   2HG1  ILE  12          2HG1      ILE  12   3.610   3.700   3.700
   62   1HG2  ILE  12          2HG2      ILE  12   3.759   0.647   0.647
   63   2HG2  ILE  12          3HG2      ILE  12   4.595   1.856   1.856
   64   3HG2  ILE  12          1HG2      ILE  12   3.657   0.579   0.579
   65   1HD1  ILE  12          1HD1      ILE  12   3.077   1.907   1.907
   66   2HD1  ILE  12          2HD1      ILE  12   1.460   2.645   2.645
   67   3HD1  ILE  12          3HD1      ILE  12   2.889   3.593   3.593
   68    H    THR  13           H        THR  13  -0.180   1.354   1.354
   69    HA   THR  13           HA       THR  13   0.798  -1.157  -1.157
   70    HB   THR  13           HB       THR  13  -1.833  -0.017  -0.017
   71    HG1  THR  13          1HG       THR  13  -0.962   1.757   1.757
   72   1HG2  THR  13          1HG2      THR  13  -0.616  -1.831  -1.831
   73   2HG2  THR  13          2HG2      THR  13   0.743  -0.716  -0.716
   74   3HG2  THR  13          3HG2      THR  13  -0.842  -0.377  -0.377
   75    H    LEU  14           H        LEU  14  -2.244  -0.012  -0.012
   76    HA   LEU  14           HA       LEU  14  -3.397  -2.679  -2.679
   77   1HB   LEU  14          1HB       LEU  14  -3.907  -0.173  -0.173
   78   2HB   LEU  14          2HB       LEU  14  -4.854  -1.654  -1.654
   79    HG   LEU  14           HG       LEU  14  -4.850   0.566   0.566
   80   1HD1  LEU  14          1HD1      LEU  14  -6.589   0.155   0.155
   81   2HD1  LEU  14          2HD1      LEU  14  -7.050  -1.333  -1.333
   82   3HD1  LEU  14          3HD1      LEU  14  -7.242   0.241   0.241
   83   1HD2  LEU  14          1HD2      LEU  14  -5.463  -2.281  -2.281
   84   2HD2  LEU  14          2HD2      LEU  14  -4.229  -1.188  -1.188
   85   3HD2  LEU  14          3HD2      LEU  14  -5.954  -0.813  -0.813
   86    H    CYS  15           H        CYS  15  -1.298  -0.943  -0.943
   87    HA   CYS  15           HA       CYS  15  -1.176  -2.937  -2.937
   88   1HB   CYS  15          1HB       CYS  15   1.058  -1.207  -1.207
   89   2HB   CYS  15          2HB       CYS  15   1.304  -2.336  -2.336
   90    H    ASN  16           H        ASN  16   0.942  -2.583  -2.583
   91    HA   ASN  16           HA       ASN  16   2.063  -5.211  -5.211
   92   1HB   ASN  16          1HB       ASN  16   3.699  -4.705  -4.705
   93   2HB   ASN  16          2HB       ASN  16   3.419  -3.240  -3.240
   94   1HD2  ASN  16          2HD2      ASN  16   3.484  -1.507  -1.507
   95   2HD2  ASN  16          1HD2      ASN  16   4.105  -1.721  -1.721
   96    H    LEU  17           H        LEU  17  -0.661  -4.382  -4.382
   97    HA   LEU  17           HA       LEU  17  -0.701  -6.602  -6.602
   98   1HB   LEU  17          1HB       LEU  17  -2.322  -4.704  -4.704
   99   2HB   LEU  17          2HB       LEU  17  -3.060  -5.431  -5.431
  100    HG   LEU  17           HG       LEU  17  -4.211  -5.724  -5.724
  101   1HD1  LEU  17          2HD1      LEU  17  -4.684  -7.281  -7.281
  102   2HD1  LEU  17          3HD1      LEU  17  -3.359  -8.361  -8.361
  103   3HD1  LEU  17          1HD1      LEU  17  -4.742  -8.108  -8.108
  104   1HD2  LEU  17          1HD2      LEU  17  -2.114  -6.003  -6.003
  105   2HD2  LEU  17          2HD2      LEU  17  -3.451  -7.112  -7.112
  106   3HD2  LEU  17          3HD2      LEU  17  -2.052  -7.689  -7.689
  107    H    TYR  18           H        TYR  18  -1.805  -6.419  -6.419
  108    HA   TYR  18           HA       TYR  18  -1.714  -9.414  -9.414
  109   1HB   TYR  18          1HB       TYR  18  -3.470  -7.410  -7.410
  110   2HB   TYR  18          2HB       TYR  18  -3.383  -9.099  -9.099
  111    HD1  TYR  18          2HD       TYR  18  -3.393 -10.683 -10.683
  112    HD2  TYR  18          1HD       TYR  18  -5.636  -7.129  -7.129
  113    HE1  TYR  18          2HE       TYR  18  -5.099 -11.295 -11.295
  114    HE2  TYR  18          1HE       TYR  18  -7.474  -7.897  -7.897
  115    HH   TYR  18           HH       TYR  18  -7.346 -10.962 -10.962
  116    H    CYS  19           H        CYS  19  -0.218  -6.737  -6.737
  117    HA   CYS  19           HA       CYS  19  -0.328  -7.802  -7.802
  118   1HB   CYS  19          1HB       CYS  19   1.507  -5.792  -5.792
  119   2HB   CYS  19          2HB       CYS  19   1.681  -6.271  -6.271
  120    H    GLY  20           H        GLY  20   2.249  -8.456  -8.456
  121   1HA   GLY  20          1HA       GLY  20   3.994  -9.921  -9.921
  122   2HA   GLY  20          2HA       GLY  20   3.274 -10.682 -10.682
  123    HA   PRO  21           HA       PRO  21   7.112  -8.748  -8.748
  124   1HB   PRO  21          1HB       PRO  21   6.955  -9.626  -9.626
  125   2HB   PRO  21          2HB       PRO  21   7.401 -10.713 -10.713
  126   1HG   PRO  21          1HG       PRO  21   4.716 -10.439 -10.439
  127   2HG   PRO  21          2HG       PRO  21   5.559 -11.933 -11.933
  128   1HD   PRO  21          1HD       PRO  21   3.570 -10.767 -10.767
  129   2HD   PRO  21          2HD       PRO  21   4.880 -11.694 -11.694
  130    H    LEU  22           H        LEU  22   3.919  -8.522  -8.522
  131    HA   LEU  22           HA       LEU  22   4.479  -6.120  -6.120
  132   1HB   LEU  22          1HB       LEU  22   1.805  -7.199  -7.199
  133   2HB   LEU  22          2HB       LEU  22   2.092  -6.050  -6.050
  134    HG   LEU  22           HG       LEU  22   2.879  -9.005  -9.005
  135   1HD1  LEU  22          1HD1      LEU  22   0.513  -8.499  -8.499
  136   2HD1  LEU  22          2HD1      LEU  22   1.008  -7.454  -7.454
  137   3HD1  LEU  22          3HD1      LEU  22   1.361  -9.191  -9.191
  138   1HD2  LEU  22          1HD2      LEU  22   3.510  -6.877  -6.877
  139   2HD2  LEU  22          2HD2      LEU  22   4.692  -7.848  -7.848
  140   3HD2  LEU  22          3HD2      LEU  22   3.648  -8.628  -8.628
  141    H    ILE  23           H        ILE  23   4.510  -6.500  -6.500
  142    HA   ILE  23           HA       ILE  23   3.213  -4.161  -4.161
  143    HB   ILE  23           HB       ILE  23   5.833  -5.565  -5.565
  144   1HG1  ILE  23          1HG1      ILE  23   3.216  -5.087  -5.087
  145   2HG1  ILE  23          2HG1      ILE  23   3.488  -6.529  -6.529
  146   1HG2  ILE  23          1HG2      ILE  23   4.571  -3.131  -3.131
  147   2HG2  ILE  23          2HG2      ILE  23   5.865  -4.112  -4.112
  148   3HG2  ILE  23          3HG2      ILE  23   6.186  -3.201  -3.201
  149   1HD1  ILE  23          2HD1      ILE  23   5.433  -7.127  -7.127
  150   2HD1  ILE  23          3HD1      ILE  23   4.938  -5.830  -5.830
  151   3HD1  ILE  23          1HD1      ILE  23   3.849  -7.186  -7.186
  152    H    GLU  24           H        GLU  24   6.356  -4.647  -4.647
  153    HA   GLU  24           HA       GLU  24   7.004  -1.871  -1.871
  154   1HB   GLU  24          1HB       GLU  24   8.633  -3.822  -3.822
  155   2HB   GLU  24          2HB       GLU  24   8.054  -4.054  -4.054
  156   1HG   GLU  24          1HG       GLU  24   8.839  -1.816  -1.816
  157   2HG   GLU  24          2HG       GLU  24   9.228  -1.400  -1.400
  158    H    ILE  25           H        ILE  25   5.687  -3.745  -3.745
  159    HA   ILE  25           HA       ILE  25   5.469  -1.588  -1.588
  160    HB   ILE  25           HB       ILE  25   3.638  -3.992  -3.992
  161   1HG1  ILE  25          1HG1      ILE  25   5.830  -4.888  -4.888
  162   2HG1  ILE  25          2HG1      ILE  25   4.982  -5.058  -5.058
  163   1HG2  ILE  25          2HG2      ILE  25   3.966  -2.154  -2.154
  164   2HG2  ILE  25          3HG2      ILE  25   3.153  -3.737  -3.737
  165   3HG2  ILE  25          1HG2      ILE  25   2.508  -2.451  -2.451
  166   1HD1  ILE  25          2HD1      ILE  25   6.192  -2.974  -2.974
  167   2HD1  ILE  25          3HD1      ILE  25   7.135  -3.013  -3.013
  168   3HD1  ILE  25          1HD1      ILE  25   7.246  -4.353  -4.353
  169    H    CYS  26           H        CYS  26   3.488  -2.524  -2.524
  170    HA   CYS  26           HA       CYS  26   1.206  -0.938  -0.938
  171   1HB   CYS  26          1HB       CYS  26   1.167  -2.944  -2.944
  172   2HB   CYS  26          2HB       CYS  26   2.013  -2.142  -2.142
  173    H    GLU  27           H        GLU  27   3.939  -0.696  -0.696
  174    HA   GLU  27           HA       GLU  27   3.390   1.881   1.881
  175   1HB   GLU  27          1HB       GLU  27   5.059   0.247   0.247
  176   2HB   GLU  27          2HB       GLU  27   6.098   0.562   0.562
  177   1HG   GLU  27          1HG       GLU  27   6.386   2.883   2.883
  178   2HG   GLU  27          2HG       GLU  27   5.188   2.716   2.716
  179    H    LEU  28           H        LEU  28   5.222   0.824   0.824
  180    HA   LEU  28           HA       LEU  28   6.033   3.407   3.407
  181   1HB   LEU  28          1HB       LEU  28   6.478   0.817   0.817
  182   2HB   LEU  28          2HB       LEU  28   5.740   1.621   1.621
  183    HG   LEU  28           HG       LEU  28   7.779   3.339   3.339
  184   1HD1  LEU  28          3HD1      LEU  28   8.668   1.197   1.197
  185   2HD1  LEU  28          1HD1      LEU  28   8.715   0.677   0.677
  186   3HD1  LEU  28          2HD1      LEU  28   9.709   2.047   2.047
  187   1HD2  LEU  28          3HD2      LEU  28   7.565   2.209   2.209
  188   2HD2  LEU  28          1HD2      LEU  28   6.891   3.758   3.758
  189   3HD2  LEU  28          2HD2      LEU  28   8.650   3.513   3.513
  190    H    THR  29           H        THR  29   3.200   1.548   1.548
  191    HA   THR  29           HA       THR  29   2.198   3.500   3.500
  192    HB   THR  29           HB       THR  29   0.665   1.557   1.557
  193    HG1  THR  29          1HG       THR  29   2.242   0.576   0.576
  194   1HG2  THR  29          1HG2      THR  29  -0.135   3.087   3.087
  195   2HG2  THR  29          2HG2      THR  29  -1.063   1.740   1.740
  196   3HG2  THR  29          3HG2      THR  29  -0.840   3.212   3.212
  197    H    VAL  30           H        VAL  30   1.559   3.016   3.016
  198    HA   VAL  30           HA       VAL  30  -0.226   5.224   5.224
  199    HB   VAL  30           HB       VAL  30   1.540   3.782   3.782
  200   1HG1  VAL  30          2HG1      VAL  30   0.873   6.030   6.030
  201   2HG1  VAL  30          3HG1      VAL  30  -0.816   5.629   5.629
  202   3HG1  VAL  30          1HG1      VAL  30   0.091   4.696   4.696
  203   1HG2  VAL  30          3HG2      VAL  30  -1.423   3.601   3.601
  204   2HG2  VAL  30          1HG2      VAL  30  -0.240   2.380   2.380
  205   3HG2  VAL  30          2HG2      VAL  30  -0.620   2.676   2.676
  206    H    MET  31           H        MET  31   3.354   5.052   5.052
  207    HA   MET  31           HA       MET  31   3.811   7.749   7.749
  208   1HB   MET  31          1HB       MET  31   5.269   5.563   5.563
  209   2HB   MET  31          2HB       MET  31   5.636   6.194   6.194
  210   1HG   MET  31          1HG       MET  31   7.055   7.705   7.705
  211   2HG   MET  31          2HG       MET  31   5.950   8.231   8.231
  212   1HE   MET  31          1HE       MET  31   8.187   5.185   5.185
  213   2HE   MET  31          2HE       MET  31   8.640   4.497   4.497
  214   3HE   MET  31          3HE       MET  31   6.981   4.346   4.346
  215    H    GLN  32           H        GLN  32   3.525   6.166   6.166
  216    HA   GLN  32           HA       GLN  32   3.971   8.356   8.356
  217   1HB   GLN  32          1HB       GLN  32   3.445   5.720   5.720
  218   2HB   GLN  32          2HB       GLN  32   1.897   6.408   6.408
  219   1HG   GLN  32          1HG       GLN  32   3.135   6.343   6.343
  220   2HG   GLN  32          2HG       GLN  32   3.299   8.031   8.031
  221   1HE2  GLN  32          2HE2      GLN  32   6.596   5.651   5.651
  222   2HE2  GLN  32          1HE2      GLN  32   4.993   5.031   5.031
  223    H    ASN  33           H        ASN  33   0.800   7.160   7.160
  224    HA   ASN  33           HA       ASN  33  -0.491   9.538   9.538
  225   1HB   ASN  33          1HB       ASN  33  -2.457   8.169   8.169
  226   2HB   ASN  33          2HB       ASN  33  -2.218   8.204   8.204
  227   1HD2  ASN  33          2HD2      ASN  33  -1.783   4.724   4.724
  228   2HD2  ASN  33          1HD2      ASN  33  -2.646   6.103   6.103
  229    H    CYS  34           H        CYS  34  -0.223   8.126   8.126
  230    HA   CYS  34           HA       CYS  34  -1.484  10.498  10.498
  231   1HB   CYS  34          1HB       CYS  34  -1.016   7.609   7.609
  232   2HB   CYS  34          2HB       CYS  34  -1.615   8.795   8.795
  233    H    GLU  35           H        GLU  35  -0.341  10.293  10.293
  234    HA   GLU  35           HA       GLU  35   2.608  10.168  10.168
  235   1HB   GLU  35          1HB       GLU  35   2.000  12.505  12.505
  236   2HB   GLU  35          2HB       GLU  35   1.291  12.294  12.294
  237   1HG   GLU  35          1HG       GLU  35   3.451  11.667  11.667
  238   2HG   GLU  35          2HG       GLU  35   4.126  11.412  11.412
  239    HA   PRO  36           HA       PRO  36   1.909   7.612   7.612
  240   1HB   PRO  36          1HB       PRO  36   3.560   5.547   5.547
  241   2HB   PRO  36          2HB       PRO  36   1.942   5.768   5.768
  242   1HG   PRO  36          1HG       PRO  36   4.700   6.486   6.486
  243   2HG   PRO  36          2HG       PRO  36   3.372   5.694   5.694
  244   1HD   PRO  36          1HD       PRO  36   3.957   8.447   8.447
  245   2HD   PRO  36          2HD       PRO  36   2.345   7.774   7.774
  246    HA   PRO  37           HA       PRO  37   3.256   5.711   5.711
  247   1HB   PRO  37          1HB       PRO  37   3.750   5.898   5.898
  248   2HB   PRO  37          2HB       PRO  37   4.929   5.267   5.267
  249   1HG   PRO  37          1HG       PRO  37   4.787   8.079   8.079
  250   2HG   PRO  37          2HG       PRO  37   6.218   7.010   7.010
  251   1HD   PRO  37          1HD       PRO  37   5.719   8.923   8.923
  252   2HD   PRO  37          2HD       PRO  37   6.357   7.323   7.323
  253    H    PHE  38           H        PHE  38   0.997   5.697   5.697
  254    HA   PHE  38           HA       PHE  38  -0.542   7.930   7.930
  255   1HB   PHE  38          1HB       PHE  38  -1.479   6.031   6.031
  256   2HB   PHE  38          2HB       PHE  38  -0.699   4.919   4.919
  257    HD1  PHE  38          2HD       PHE  38  -3.254   7.592   7.592
  258    HD2  PHE  38          1HD       PHE  38  -1.834   4.036   4.036
  259    HE1  PHE  38          2HE       PHE  38  -5.258   7.603   7.603
  260    HE2  PHE  38          1HE       PHE  38  -3.910   3.949   3.949
  261   1HZ   PHE  38           HZ       PHE  38  -5.526   5.842   5.842
  262    H    SER  39           H        SER  39  -1.460   8.694   8.694
  263    HA   SER  39           HA       SER  39  -0.035   7.834   7.834
  264   1HB   SER  39          1HB       SER  39  -1.002  10.245  10.245
  265   2HB   SER  39          2HB       SER  39   0.590   9.980   9.980
  266    HG   SER  39           HG       SER  39  -0.284  10.465  10.465

  Start of MODEL   11
    1    HA   ASP   1           HA       ASP   1  -6.625  -9.765  -9.765
    2   1HB   ASP   1          1HB       ASP   1  -4.216  -9.807  -9.807
    3   2HB   ASP   1          2HB       ASP   1  -3.984  -8.234  -8.234
    4    H    GLU   2           H        GLU   2  -6.220  -8.921  -8.921
    5    HA   GLU   2           HA       GLU   2  -7.746  -6.476  -6.476
    6   1HB   GLU   2          1HB       GLU   2  -7.560  -8.440  -8.440
    7   2HB   GLU   2          2HB       GLU   2  -5.916  -7.849  -7.849
    8   1HG   GLU   2          1HG       GLU   2  -7.107  -6.721  -6.721
    9   2HG   GLU   2          2HG       GLU   2  -7.199  -5.512  -5.512
   10    H    CYS   3           H        CYS   3  -4.354  -7.457  -7.457
   11    HA   CYS   3           HA       CYS   3  -3.056  -5.275  -5.275
   12   1HB   CYS   3          1HB       CYS   3  -1.926  -7.284  -7.284
   13   2HB   CYS   3          2HB       CYS   3  -2.322  -6.802  -6.802
   14    H    ALA   4           H        ALA   4  -4.587  -5.449  -5.449
   15    HA   ALA   4           HA       ALA   4  -3.677  -2.913  -2.913
   16   1HB   ALA   4          1HB       ALA   4  -4.636  -4.678  -4.678
   17   2HB   ALA   4          2HB       ALA   4  -6.219  -4.454  -4.454
   18   3HB   ALA   4          3HB       ALA   4  -5.497  -3.139  -3.139
   19    H    ASN   5           H        ASN   5  -6.441  -3.965  -3.965
   20    HA   ASN   5           HA       ASN   5  -7.859  -1.444  -1.444
   21   1HB   ASN   5          1HB       ASN   5  -8.011  -3.650  -3.650
   22   2HB   ASN   5          2HB       ASN   5  -9.182  -2.370  -2.370
   23   1HD2  ASN   5          2HD2      ASN   5 -10.119  -5.691  -5.691
   24   2HD2  ASN   5          1HD2      ASN   5  -9.570  -5.292  -5.292
   25    H    ALA   6           H        ALA   6  -5.665  -3.005  -3.005
   26    HA   ALA   6           HA       ALA   6  -5.577  -0.967  -0.967
   27   1HB   ALA   6          1HB       ALA   6  -3.388  -2.905  -2.905
   28   2HB   ALA   6          2HB       ALA   6  -3.301  -1.931  -1.931
   29   3HB   ALA   6          3HB       ALA   6  -4.549  -3.183  -3.183
   30    H    ALA   7           H        ALA   7  -3.573  -1.260  -1.260
   31    HA   ALA   7           HA       ALA   7  -2.211   1.199   1.199
   32   1HB   ALA   7          1HB       ALA   7  -1.455  -0.416  -0.416
   33   2HB   ALA   7          2HB       ALA   7  -2.927  -0.102  -0.102
   34   3HB   ALA   7          3HB       ALA   7  -1.737   1.184   1.184
   35    H    ALA   8           H        ALA   8  -5.243   0.520   0.520
   36    HA   ALA   8           HA       ALA   8  -5.707   3.211   3.211
   37   1HB   ALA   8          3HB       ALA   8  -7.654   0.939   0.939
   38   2HB   ALA   8          1HB       ALA   8  -8.084   2.476   2.476
   39   3HB   ALA   8          2HB       ALA   8  -6.916   1.396   1.396
   40    H    GLN   9           H        GLN   9  -6.214   1.605   1.605
   41    HA   GLN   9           HA       GLN   9  -7.942   3.602   3.602
   42   1HB   GLN   9          1HB       GLN   9  -7.402   1.053   1.053
   43   2HB   GLN   9          2HB       GLN   9  -6.226   1.727   1.727
   44   1HG   GLN   9          1HG       GLN   9  -8.016   2.838   2.838
   45   2HG   GLN   9          2HG       GLN   9  -9.181   2.557   2.557
   46   1HE2  GLN   9          2HE2      GLN   9  -9.509  -1.021  -1.021
   47   2HE2  GLN   9          1HE2      GLN   9  -9.118  -0.070  -0.070
   48    H    CYS  10           H        CYS  10  -4.491   3.213   3.213
   49    HA   CYS  10           HA       CYS  10  -2.668   4.327   4.327
   50   1HB   CYS  10          1HB       CYS  10  -3.440   6.364   6.364
   51   2HB   CYS  10          2HB       CYS  10  -4.483   6.706   6.706
   52    H    SER  11           H        SER  11  -2.756   2.567   2.567
   53    HA   SER  11           HA       SER  11  -1.715   3.965   3.965
   54   1HB   SER  11          1HB       SER  11  -3.958   3.406   3.406
   55   2HB   SER  11          2HB       SER  11  -3.887   1.825   1.825
   56    HG   SER  11           HG       SER  11  -3.519   1.954   1.954
   57    H    ILE  12           H        ILE  12   0.056   3.119   3.119
   58    HA   ILE  12           HA       ILE  12   1.321   1.067   1.067
   59    HB   ILE  12           HB       ILE  12   2.345   2.776   2.776
   60   1HG1  ILE  12          1HG1      ILE  12   1.721   4.203   4.203
   61   2HG1  ILE  12          2HG1      ILE  12   3.463   4.028   4.028
   62   1HG2  ILE  12          1HG2      ILE  12   3.720   0.831   0.831
   63   2HG2  ILE  12          2HG2      ILE  12   4.581   2.069   2.069
   64   3HG2  ILE  12          3HG2      ILE  12   3.687   0.799   0.799
   65   1HD1  ILE  12          2HD1      ILE  12   3.188   2.272   2.272
   66   2HD1  ILE  12          3HD1      ILE  12   1.488   2.789   2.789
   67   3HD1  ILE  12          1HD1      ILE  12   2.782   3.939   3.939
   68    H    THR  13           H        THR  13  -0.208   1.546   1.546
   69    HA   THR  13           HA       THR  13   0.756  -0.964  -0.964
   70    HB   THR  13           HB       THR  13  -1.685   0.714   0.714
   71    HG1  THR  13          1HG       THR  13   1.066   0.910   0.910
   72   1HG2  THR  13          1HG2      THR  13  -0.144  -1.427  -1.427
   73   2HG2  THR  13          2HG2      THR  13  -1.373  -0.332  -0.332
   74   3HG2  THR  13          3HG2      THR  13  -1.824  -1.511  -1.511
   75    H    LEU  14           H        LEU  14  -2.278   0.089   0.089
   76    HA   LEU  14           HA       LEU  14  -3.272  -2.611  -2.611
   77   1HB   LEU  14          1HB       LEU  14  -3.939  -0.184  -0.184
   78   2HB   LEU  14          2HB       LEU  14  -4.578  -1.756  -1.756
   79    HG   LEU  14           HG       LEU  14  -4.785  -0.997  -0.997
   80   1HD1  LEU  14          2HD1      LEU  14  -6.233   0.584   0.584
   81   2HD1  LEU  14          3HD1      LEU  14  -6.929   0.319   0.319
   82   3HD1  LEU  14          1HD1      LEU  14  -5.411   1.181   1.181
   83   1HD2  LEU  14          1HD2      LEU  14  -5.678  -3.046  -3.046
   84   2HD2  LEU  14          2HD2      LEU  14  -6.954  -2.058  -2.058
   85   3HD2  LEU  14          3HD2      LEU  14  -6.726  -2.009  -2.009
   86    H    CYS  15           H        CYS  15  -0.932  -0.862  -0.862
   87    HA   CYS  15           HA       CYS  15  -0.711  -2.883  -2.883
   88   1HB   CYS  15          1HB       CYS  15   1.543  -1.192  -1.192
   89   2HB   CYS  15          2HB       CYS  15   1.725  -2.325  -2.325
   90    H    ASN  16           H        ASN  16   1.199  -2.560  -2.560
   91    HA   ASN  16           HA       ASN  16   2.409  -5.105  -5.105
   92   1HB   ASN  16          1HB       ASN  16   1.818  -3.805  -3.805
   93   2HB   ASN  16          2HB       ASN  16   3.141  -4.911  -4.911
   94   1HD2  ASN  16          2HD2      ASN  16   3.907  -1.043  -1.043
   95   2HD2  ASN  16          1HD2      ASN  16   2.861  -1.907  -1.907
   96    H    LEU  17           H        LEU  17  -0.646  -4.269  -4.269
   97    HA   LEU  17           HA       LEU  17  -1.276  -6.421  -6.421
   98   1HB   LEU  17          1HB       LEU  17  -2.601  -4.397  -4.397
   99   2HB   LEU  17          2HB       LEU  17  -3.163  -5.058  -5.058
  100    HG   LEU  17           HG       LEU  17  -4.744  -5.149  -5.149
  101   1HD1  LEU  17          3HD1      LEU  17  -4.799  -6.652  -6.652
  102   2HD1  LEU  17          1HD1      LEU  17  -4.103  -7.917  -7.917
  103   3HD1  LEU  17          2HD1      LEU  17  -5.676  -7.204  -7.204
  104   1HD2  LEU  17          1HD2      LEU  17  -3.107  -5.739  -5.739
  105   2HD2  LEU  17          2HD2      LEU  17  -4.552  -6.761  -6.761
  106   3HD2  LEU  17          3HD2      LEU  17  -3.010  -7.385  -7.385
  107    H    TYR  18           H        TYR  18  -1.611  -6.433  -6.433
  108    HA   TYR  18           HA       TYR  18  -1.374  -9.405  -9.405
  109   1HB   TYR  18          1HB       TYR  18  -3.481  -7.782  -7.782
  110   2HB   TYR  18          2HB       TYR  18  -3.151  -9.474  -9.474
  111    HD1  TYR  18          1HD       TYR  18  -2.823 -10.470 -10.470
  112    HD2  TYR  18          2HD       TYR  18  -5.741  -7.939  -7.939
  113    HE1  TYR  18          1HE       TYR  18  -4.511 -11.296 -11.296
  114    HE2  TYR  18          2HE       TYR  18  -7.486  -8.816  -8.816
  115    HH   TYR  18           HH       TYR  18  -6.827 -11.520 -11.520
  116    H    CYS  19           H        CYS  19   0.090  -6.698  -6.698
  117    HA   CYS  19           HA       CYS  19  -0.211  -7.754  -7.754
  118   1HB   CYS  19          1HB       CYS  19   1.527  -5.605  -5.605
  119   2HB   CYS  19          2HB       CYS  19   1.660  -6.159  -6.159
  120    H    GLY  20           H        GLY  20   2.268  -8.328  -8.328
  121   1HA   GLY  20          1HA       GLY  20   4.029  -9.775  -9.775
  122   2HA   GLY  20          2HA       GLY  20   3.328 -10.606 -10.606
  123    HA   PRO  21           HA       PRO  21   7.119  -8.617  -8.617
  124   1HB   PRO  21          1HB       PRO  21   6.938  -9.652  -9.652
  125   2HB   PRO  21          2HB       PRO  21   7.719 -10.449 -10.449
  126   1HG   PRO  21          1HG       PRO  21   5.074 -11.040 -11.040
  127   2HG   PRO  21          2HG       PRO  21   6.181 -12.116 -12.116
  128   1HD   PRO  21          1HD       PRO  21   3.815 -10.920 -10.920
  129   2HD   PRO  21          2HD       PRO  21   5.084 -11.681 -11.681
  130    H    LEU  22           H        LEU  22   3.887  -8.647  -8.647
  131    HA   LEU  22           HA       LEU  22   4.306  -6.351  -6.351
  132   1HB   LEU  22          1HB       LEU  22   1.734  -7.406  -7.406
  133   2HB   LEU  22          2HB       LEU  22   1.857  -6.234  -6.234
  134    HG   LEU  22           HG       LEU  22   2.814  -9.133  -9.133
  135   1HD1  LEU  22          1HD1      LEU  22   0.345  -8.865  -8.865
  136   2HD1  LEU  22          2HD1      LEU  22   0.415  -7.765  -7.765
  137   3HD1  LEU  22          3HD1      LEU  22   0.894  -9.465  -9.465
  138   1HD2  LEU  22          2HD2      LEU  22   2.775  -6.874  -6.874
  139   2HD2  LEU  22          3HD2      LEU  22   4.184  -7.807  -7.807
  140   3HD2  LEU  22          1HD2      LEU  22   2.938  -8.582  -8.582
  141    H    ILE  23           H        ILE  23   4.465  -6.483  -6.483
  142    HA   ILE  23           HA       ILE  23   3.259  -4.004  -4.004
  143    HB   ILE  23           HB       ILE  23   5.748  -5.421  -5.421
  144   1HG1  ILE  23          1HG1      ILE  23   3.048  -4.981  -4.981
  145   2HG1  ILE  23          2HG1      ILE  23   3.402  -6.416  -6.416
  146   1HG2  ILE  23          1HG2      ILE  23   4.341  -2.974  -2.974
  147   2HG2  ILE  23          2HG2      ILE  23   5.618  -3.911  -3.911
  148   3HG2  ILE  23          3HG2      ILE  23   5.983  -3.049  -3.049
  149   1HD1  ILE  23          1HD1      ILE  23   5.354  -6.899  -6.899
  150   2HD1  ILE  23          2HD1      ILE  23   4.734  -5.628  -5.628
  151   3HD1  ILE  23          3HD1      ILE  23   3.740  -7.046  -7.046
  152    H    GLU  24           H        GLU  24   6.224  -4.828  -4.828
  153    HA   GLU  24           HA       GLU  24   7.082  -2.063  -2.063
  154   1HB   GLU  24          1HB       GLU  24   8.588  -4.112  -4.112
  155   2HB   GLU  24          2HB       GLU  24   7.777  -4.210  -4.210
  156   1HG   GLU  24          1HG       GLU  24   8.439  -1.893  -1.893
  157   2HG   GLU  24          2HG       GLU  24   9.168  -1.671  -1.671
  158    H    ILE  25           H        ILE  25   5.516  -3.901  -3.901
  159    HA   ILE  25           HA       ILE  25   5.127  -1.621  -1.621
  160    HB   ILE  25           HB       ILE  25   3.413  -4.131  -4.131
  161   1HG1  ILE  25          1HG1      ILE  25   4.391  -4.875  -4.875
  162   2HG1  ILE  25          2HG1      ILE  25   5.369  -3.412  -3.412
  163   1HG2  ILE  25          3HG2      ILE  25   3.306  -1.927  -1.927
  164   2HG2  ILE  25          1HG2      ILE  25   2.547  -3.516  -3.516
  165   3HG2  ILE  25          2HG2      ILE  25   1.993  -2.444  -2.444
  166   1HD1  ILE  25          1HD1      ILE  25   5.680  -5.515  -5.515
  167   2HD1  ILE  25          2HD1      ILE  25   6.608  -5.457  -5.457
  168   3HD1  ILE  25          3HD1      ILE  25   6.778  -4.146  -4.146
  169    H    CYS  26           H        CYS  26   3.354  -2.676  -2.676
  170    HA   CYS  26           HA       CYS  26   1.035  -1.001  -1.001
  171   1HB   CYS  26          1HB       CYS  26   1.128  -3.018  -3.018
  172   2HB   CYS  26          2HB       CYS  26   2.159  -2.223  -2.223
  173    H    GLU  27           H        GLU  27   4.032  -0.841  -0.841
  174    HA   GLU  27           HA       GLU  27   3.447   1.726   1.726
  175   1HB   GLU  27          1HB       GLU  27   5.162   0.184   0.184
  176   2HB   GLU  27          2HB       GLU  27   6.158   0.442   0.442
  177   1HG   GLU  27          1HG       GLU  27   6.419   2.792   2.792
  178   2HG   GLU  27          2HG       GLU  27   5.215   2.660   2.660
  179    H    LEU  28           H        LEU  28   5.090   0.679   0.679
  180    HA   LEU  28           HA       LEU  28   5.986   3.221   3.221
  181   1HB   LEU  28          1HB       LEU  28   5.754   0.440   0.440
  182   2HB   LEU  28          2HB       LEU  28   5.609   1.582   1.582
  183    HG   LEU  28           HG       LEU  28   7.900   0.755   0.755
  184   1HD1  LEU  28          2HD1      LEU  28   7.558   2.970   2.970
  185   2HD1  LEU  28          3HD1      LEU  28   7.707   3.755   3.755
  186   3HD1  LEU  28          1HD1      LEU  28   9.083   2.872   2.872
  187   1HD2  LEU  28          3HD2      LEU  28   7.811   0.517   0.517
  188   2HD2  LEU  28          1HD2      LEU  28   9.240   1.396   1.396
  189   3HD2  LEU  28          2HD2      LEU  28   7.898   2.283   2.283
  190    H    THR  29           H        THR  29   3.014   1.404   1.404
  191    HA   THR  29           HA       THR  29   1.963   3.398   3.398
  192    HB   THR  29           HB       THR  29   0.484   1.386   1.386
  193    HG1  THR  29          1HG       THR  29   2.068   0.491   0.491
  194   1HG2  THR  29          3HG2      THR  29  -0.999   3.126   3.126
  195   2HG2  THR  29          1HG2      THR  29  -0.371   2.746   2.746
  196   3HG2  THR  29          2HG2      THR  29  -1.290   1.529   1.529
  197    H    VAL  30           H        VAL  30   1.604   2.919   2.919
  198    HA   VAL  30           HA       VAL  30  -0.216   5.100   5.100
  199    HB   VAL  30           HB       VAL  30   1.729   3.796   3.796
  200   1HG1  VAL  30          1HG1      VAL  30  -0.636   5.654   5.654
  201   2HG1  VAL  30          2HG1      VAL  30   0.282   4.829   4.829
  202   3HG1  VAL  30          3HG1      VAL  30   1.061   6.076   6.076
  203   1HG2  VAL  30          1HG2      VAL  30  -0.131   2.315   2.315
  204   2HG2  VAL  30          2HG2      VAL  30  -0.306   2.649   2.649
  205   3HG2  VAL  30          3HG2      VAL  30  -1.290   3.521   3.521
  206    H    MET  31           H        MET  31   3.374   4.950   4.950
  207    HA   MET  31           HA       MET  31   3.952   7.632   7.632
  208   1HB   MET  31          1HB       MET  31   5.267   5.363   5.363
  209   2HB   MET  31          2HB       MET  31   5.783   6.726   6.726
  210   1HG   MET  31          1HG       MET  31   6.502   7.902   7.902
  211   2HG   MET  31          2HG       MET  31   5.798   6.643   6.643
  212   1HE   MET  31          2HE       MET  31   8.689   7.792   7.792
  213   2HE   MET  31          3HE       MET  31   8.118   6.544   6.544
  214   3HE   MET  31          1HE       MET  31   9.670   6.323   6.323
  215    H    GLN  32           H        GLN  32   3.067   5.991   5.991
  216    HA   GLN  32           HA       GLN  32   3.444   8.274   8.274
  217   1HB   GLN  32          1HB       GLN  32   3.091   5.430   5.430
  218   2HB   GLN  32          2HB       GLN  32   1.911   6.145   6.145
  219   1HG   GLN  32          1HG       GLN  32   4.034   5.694   5.694
  220   2HG   GLN  32          2HG       GLN  32   3.752   7.436   7.436
  221   1HE2  GLN  32          2HE2      GLN  32   6.587   6.161   6.161
  222   2HE2  GLN  32          1HE2      GLN  32   5.036   5.355   5.355
  223    H    ASN  33           H        ASN  33   1.008   7.926   7.926
  224    HA   ASN  33           HA       ASN  33  -0.751   9.636   9.636
  225   1HB   ASN  33          1HB       ASN  33  -2.716   8.476   8.476
  226   2HB   ASN  33          2HB       ASN  33  -1.566   7.272   7.272
  227   1HD2  ASN  33          2HD2      ASN  33  -2.172   5.098   5.098
  228   2HD2  ASN  33          1HD2      ASN  33  -1.061   5.508   5.508
  229    H    CYS  34           H        CYS  34  -0.330   8.138   8.138
  230    HA   CYS  34           HA       CYS  34  -1.651  10.371  10.371
  231   1HB   CYS  34          1HB       CYS  34  -1.850   7.780   7.780
  232   2HB   CYS  34          2HB       CYS  34  -0.298   7.969   7.969
  233    H    GLU  35           H        GLU  35  -0.290  10.772  10.772
  234    HA   GLU  35           HA       GLU  35   2.643  10.960  10.960
  235   1HB   GLU  35          1HB       GLU  35   0.766  13.034  13.034
  236   2HB   GLU  35          2HB       GLU  35   1.752  12.802  12.802
  237   1HG   GLU  35          1HG       GLU  35   3.028  13.027  13.027
  238   2HG   GLU  35          2HG       GLU  35   2.538  14.445  14.445
  239    HA   PRO  36           HA       PRO  36   1.781   8.089   8.089
  240   1HB   PRO  36          1HB       PRO  36   3.499   6.044   6.044
  241   2HB   PRO  36          2HB       PRO  36   1.908   6.325   6.325
  242   1HG   PRO  36          1HG       PRO  36   4.686   7.197   7.197
  243   2HG   PRO  36          2HG       PRO  36   3.468   6.346   6.346
  244   1HD   PRO  36          1HD       PRO  36   3.849   9.079   9.079
  245   2HD   PRO  36          2HD       PRO  36   2.242   8.346   8.346
  246    HA   PRO  37           HA       PRO  37   2.987   6.010   6.010
  247   1HB   PRO  37          1HB       PRO  37   3.426   5.722   5.722
  248   2HB   PRO  37          2HB       PRO  37   4.656   5.300   5.300
  249   1HG   PRO  37          1HG       PRO  37   4.449   7.807   7.807
  250   2HG   PRO  37          2HG       PRO  37   5.913   6.833   6.833
  251   1HD   PRO  37          1HD       PRO  37   5.326   9.114   9.114
  252   2HD   PRO  37          2HD       PRO  37   6.149   7.723   7.723
  253    H    PHE  38           H        PHE  38   0.788   5.814   5.814
  254    HA   PHE  38           HA       PHE  38  -0.712   8.139   8.139
  255   1HB   PHE  38          1HB       PHE  38  -1.559   6.132   6.132
  256   2HB   PHE  38          2HB       PHE  38  -0.971   5.232   5.232
  257    HD1  PHE  38          2HD       PHE  38  -3.364   7.910   7.910
  258    HD2  PHE  38          1HD       PHE  38  -2.473   4.362   4.362
  259    HE1  PHE  38          2HE       PHE  38  -5.720   7.900   7.900
  260    HE2  PHE  38          1HE       PHE  38  -4.831   4.270   4.270
  261   1HZ   PHE  38           HZ       PHE  38  -6.445   6.067   6.067
  262    H    SER  39           H        SER  39  -0.810   9.644   9.644
  263    HA   SER  39           HA       SER  39  -0.475   8.931   8.931
  264   1HB   SER  39          1HB       SER  39  -0.695  11.477  11.477
  265   2HB   SER  39          2HB       SER  39   0.781  10.846  10.846
  266    HG   SER  39           HG       SER  39  -0.057  11.323  11.323

  Start of MODEL   12
    1    HA   ASP   1           HA       ASP   1  -8.240  -8.862  -8.862
    2   1HB   ASP   1          1HB       ASP   1  -6.523  -9.267  -9.267
    3   2HB   ASP   1          2HB       ASP   1  -5.607  -7.885  -7.885
    4    H    GLU   2           H        GLU   2  -6.949  -8.494  -8.494
    5    HA   GLU   2           HA       GLU   2  -7.645  -5.968  -5.968
    6   1HB   GLU   2          1HB       GLU   2  -5.914  -8.252  -8.252
    7   2HB   GLU   2          2HB       GLU   2  -6.500  -6.889  -6.889
    8   1HG   GLU   2          1HG       GLU   2  -8.366  -8.838  -8.838
    9   2HG   GLU   2          2HG       GLU   2  -7.809  -9.002  -9.002
   10    H    CYS   3           H        CYS   3  -4.600  -7.341  -7.341
   11    HA   CYS   3           HA       CYS   3  -2.966  -5.259  -5.259
   12   1HB   CYS   3          1HB       CYS   3  -2.024  -7.318  -7.318
   13   2HB   CYS   3          2HB       CYS   3  -2.576  -6.893  -6.893
   14    H    ALA   4           H        ALA   4  -4.437  -5.611  -5.611
   15    HA   ALA   4           HA       ALA   4  -3.766  -3.082  -3.082
   16   1HB   ALA   4          2HB       ALA   4  -4.694  -4.915  -4.915
   17   2HB   ALA   4          3HB       ALA   4  -6.262  -4.755  -4.755
   18   3HB   ALA   4          1HB       ALA   4  -5.648  -3.426  -3.426
   19    H    ASN   5           H        ASN   5  -6.642  -4.114  -4.114
   20    HA   ASN   5           HA       ASN   5  -8.010  -1.643  -1.643
   21   1HB   ASN   5          1HB       ASN   5  -9.036  -3.749  -3.749
   22   2HB   ASN   5          2HB       ASN   5  -7.788  -3.960  -3.960
   23   1HD2  ASN   5          2HD2      ASN   5 -10.340  -3.082  -3.082
   24   2HD2  ASN   5          1HD2      ASN   5  -9.550  -4.433  -4.433
   25    H    ALA   6           H        ALA   6  -5.464  -2.898  -2.898
   26    HA   ALA   6           HA       ALA   6  -5.450  -0.683  -0.683
   27   1HB   ALA   6          3HB       ALA   6  -4.249  -2.814  -2.814
   28   2HB   ALA   6          1HB       ALA   6  -3.102  -2.449  -2.449
   29   3HB   ALA   6          2HB       ALA   6  -3.179  -1.396  -1.396
   30    H    ALA   7           H        ALA   7  -3.626  -1.266  -1.266
   31    HA   ALA   7           HA       ALA   7  -2.240   1.212   1.212
   32   1HB   ALA   7          3HB       ALA   7  -1.622  -0.640  -0.640
   33   2HB   ALA   7          1HB       ALA   7  -3.115  -0.358  -0.358
   34   3HB   ALA   7          2HB       ALA   7  -1.866   0.893   0.893
   35    H    ALA   8           H        ALA   8  -5.447   0.354   0.354
   36    HA   ALA   8           HA       ALA   8  -5.930   2.953   2.953
   37   1HB   ALA   8          3HB       ALA   8  -7.133   0.908   0.908
   38   2HB   ALA   8          1HB       ALA   8  -7.911   0.815   0.815
   39   3HB   ALA   8          2HB       ALA   8  -8.252   2.184   2.184
   40    H    GLN   9           H        GLN   9  -6.409   1.561   1.561
   41    HA   GLN   9           HA       GLN   9  -7.973   3.793   3.793
   42   1HB   GLN   9          1HB       GLN   9  -8.247   1.454   1.454
   43   2HB   GLN   9          2HB       GLN   9  -6.637   1.432   1.432
   44   1HG   GLN   9          1HG       GLN   9  -7.391   3.099   3.099
   45   2HG   GLN   9          2HG       GLN   9  -8.959   3.227   3.227
   46   1HE2  GLN   9          2HE2      GLN   9  -9.160  -0.552  -0.552
   47   2HE2  GLN   9          1HE2      GLN   9  -8.640   0.022   0.022
   48    H    CYS  10           H        CYS  10  -4.604   3.145   3.145
   49    HA   CYS  10           HA       CYS  10  -2.734   4.288   4.288
   50   1HB   CYS  10          1HB       CYS  10  -4.561   6.614   6.614
   51   2HB   CYS  10          2HB       CYS  10  -2.812   6.652   6.652
   52    H    SER  11           H        SER  11  -2.931   2.389   2.389
   53    HA   SER  11           HA       SER  11  -1.657   3.799   3.799
   54   1HB   SER  11          1HB       SER  11  -3.865   3.474   3.474
   55   2HB   SER  11          2HB       SER  11  -3.974   1.850   1.850
   56    HG   SER  11           HG       SER  11  -2.147   2.693   2.693
   57    H    ILE  12           H        ILE  12  -0.067   2.840   2.840
   58    HA   ILE  12           HA       ILE  12   1.284   0.782   0.782
   59    HB   ILE  12           HB       ILE  12   2.188   2.547   2.547
   60   1HG1  ILE  12          1HG1      ILE  12   1.507   3.979   3.979
   61   2HG1  ILE  12          2HG1      ILE  12   3.248   3.831   3.831
   62   1HG2  ILE  12          3HG2      ILE  12   3.795   0.831   0.831
   63   2HG2  ILE  12          1HG2      ILE  12   4.470   2.043   2.043
   64   3HG2  ILE  12          2HG2      ILE  12   3.647   0.617   0.617
   65   1HD1  ILE  12          2HD1      ILE  12   2.873   1.983   1.983
   66   2HD1  ILE  12          3HD1      ILE  12   1.226   2.626   2.626
   67   3HD1  ILE  12          1HD1      ILE  12   2.605   3.666   3.666
   68    H    THR  13           H        THR  13  -0.057   1.356   1.356
   69    HA   THR  13           HA       THR  13   0.916  -1.192  -1.192
   70    HB   THR  13           HB       THR  13  -1.331   0.589   0.589
   71    HG1  THR  13          1HG       THR  13   0.548   1.761   1.761
   72   1HG2  THR  13          3HG2      THR  13   0.424  -1.463  -1.463
   73   2HG2  THR  13          1HG2      THR  13  -0.774  -0.408  -0.408
   74   3HG2  THR  13          2HG2      THR  13  -1.298  -1.662  -1.662
   75    H    LEU  14           H        LEU  14  -2.207  -0.027  -0.027
   76    HA   LEU  14           HA       LEU  14  -3.334  -2.704  -2.704
   77   1HB   LEU  14          1HB       LEU  14  -3.853  -0.200  -0.200
   78   2HB   LEU  14          2HB       LEU  14  -4.488  -1.743  -1.743
   79    HG   LEU  14           HG       LEU  14  -4.906  -1.061  -1.061
   80   1HD1  LEU  14          3HD1      LEU  14  -6.263   0.438   0.438
   81   2HD1  LEU  14          1HD1      LEU  14  -6.962   0.289   0.289
   82   3HD1  LEU  14          2HD1      LEU  14  -5.421   1.122   1.122
   83   1HD2  LEU  14          3HD2      LEU  14  -5.685  -3.120  -3.120
   84   2HD2  LEU  14          1HD2      LEU  14  -7.025  -2.160  -2.160
   85   3HD2  LEU  14          2HD2      LEU  14  -6.666  -2.076  -2.076
   86    H    CYS  15           H        CYS  15  -1.145  -1.039  -1.039
   87    HA   CYS  15           HA       CYS  15  -1.011  -3.084  -3.084
   88   1HB   CYS  15          1HB       CYS  15   1.318  -1.397  -1.397
   89   2HB   CYS  15          2HB       CYS  15   1.416  -2.513  -2.513
   90    H    ASN  16           H        ASN  16   1.222  -2.722  -2.722
   91    HA   ASN  16           HA       ASN  16   2.250  -5.379  -5.379
   92   1HB   ASN  16          1HB       ASN  16   3.740  -5.002  -5.002
   93   2HB   ASN  16          2HB       ASN  16   3.686  -3.573  -3.573
   94   1HD2  ASN  16          2HD2      ASN  16   3.625  -1.769  -1.769
   95   2HD2  ASN  16          1HD2      ASN  16   4.594  -2.298  -2.298
   96    H    LEU  17           H        LEU  17  -0.479  -4.389  -4.389
   97    HA   LEU  17           HA       LEU  17  -0.706  -6.633  -6.633
   98   1HB   LEU  17          1HB       LEU  17  -2.257  -4.601  -4.601
   99   2HB   LEU  17          2HB       LEU  17  -3.038  -5.461  -5.461
  100    HG   LEU  17           HG       LEU  17  -4.248  -5.638  -5.638
  101   1HD1  LEU  17          2HD1      LEU  17  -3.820  -7.766  -7.766
  102   2HD1  LEU  17          3HD1      LEU  17  -2.956  -8.346  -8.346
  103   3HD1  LEU  17          1HD1      LEU  17  -4.677  -7.920  -7.920
  104   1HD2  LEU  17          3HD2      LEU  17  -2.332  -5.156  -5.156
  105   2HD2  LEU  17          1HD2      LEU  17  -3.367  -6.474  -6.474
  106   3HD2  LEU  17          2HD2      LEU  17  -1.813  -6.842  -6.842
  107    H    TYR  18           H        TYR  18  -1.504  -6.366  -6.366
  108    HA   TYR  18           HA       TYR  18  -1.911  -9.351  -9.351
  109   1HB   TYR  18          1HB       TYR  18  -3.276  -7.098  -7.098
  110   2HB   TYR  18          2HB       TYR  18  -3.509  -8.812  -8.812
  111    HD1  TYR  18          2HD       TYR  18  -3.994 -10.273 -10.273
  112    HD2  TYR  18          1HD       TYR  18  -5.036  -6.127  -6.127
  113    HE1  TYR  18          2HE       TYR  18  -5.836 -10.523 -10.523
  114    HE2  TYR  18          1HE       TYR  18  -6.984  -6.425  -6.425
  115    HH   TYR  18           HH       TYR  18  -8.279  -7.948  -7.948
  116    H    CYS  19           H        CYS  19  -0.048  -6.837  -6.837
  117    HA   CYS  19           HA       CYS  19  -0.228  -7.876  -7.876
  118   1HB   CYS  19          1HB       CYS  19   1.504  -5.800  -5.800
  119   2HB   CYS  19          2HB       CYS  19   1.704  -6.298  -6.298
  120    H    GLY  20           H        GLY  20   2.256  -8.515  -8.515
  121   1HA   GLY  20          1HA       GLY  20   4.091  -9.824  -9.824
  122   2HA   GLY  20          2HA       GLY  20   3.414 -10.719 -10.719
  123    HA   PRO  21           HA       PRO  21   7.069  -8.782  -8.782
  124   1HB   PRO  21          1HB       PRO  21   6.813  -9.735  -9.735
  125   2HB   PRO  21          2HB       PRO  21   7.304 -10.792 -10.792
  126   1HG   PRO  21          1HG       PRO  21   4.555 -10.503 -10.503
  127   2HG   PRO  21          2HG       PRO  21   5.425 -11.999 -11.999
  128   1HD   PRO  21          1HD       PRO  21   3.523 -10.862 -10.862
  129   2HD   PRO  21          2HD       PRO  21   4.892 -11.764 -11.764
  130    H    LEU  22           H        LEU  22   3.756  -8.611  -8.611
  131    HA   LEU  22           HA       LEU  22   4.247  -6.286  -6.286
  132   1HB   LEU  22          1HB       LEU  22   1.664  -7.258  -7.258
  133   2HB   LEU  22          2HB       LEU  22   1.805  -6.058  -6.058
  134    HG   LEU  22           HG       LEU  22   2.447  -9.029  -9.029
  135   1HD1  LEU  22          2HD1      LEU  22   0.028  -8.183  -8.183
  136   2HD1  LEU  22          3HD1      LEU  22   0.459  -7.296  -7.296
  137   3HD1  LEU  22          1HD1      LEU  22   0.535  -9.064  -9.064
  138   1HD2  LEU  22          3HD2      LEU  22   2.937  -6.759  -6.759
  139   2HD2  LEU  22          1HD2      LEU  22   4.110  -7.957  -7.957
  140   3HD2  LEU  22          2HD2      LEU  22   2.813  -8.451  -8.451
  141    H    ILE  23           H        ILE  23   4.513  -6.506  -6.506
  142    HA   ILE  23           HA       ILE  23   3.147  -4.182  -4.182
  143    HB   ILE  23           HB       ILE  23   5.813  -5.477  -5.477
  144   1HG1  ILE  23          1HG1      ILE  23   3.125  -5.128  -5.128
  145   2HG1  ILE  23          2HG1      ILE  23   3.536  -6.565  -6.565
  146   1HG2  ILE  23          2HG2      ILE  23   4.402  -3.074  -3.074
  147   2HG2  ILE  23          3HG2      ILE  23   5.703  -3.997  -3.997
  148   3HG2  ILE  23          1HG2      ILE  23   6.034  -3.088  -3.088
  149   1HD1  ILE  23          2HD1      ILE  23   5.389  -7.077  -7.077
  150   2HD1  ILE  23          3HD1      ILE  23   4.861  -5.754  -5.754
  151   3HD1  ILE  23          1HD1      ILE  23   3.792  -7.137  -7.137
  152    H    GLU  24           H        GLU  24   6.279  -4.622  -4.622
  153    HA   GLU  24           HA       GLU  24   6.894  -1.866  -1.866
  154   1HB   GLU  24          1HB       GLU  24   8.389  -3.973  -3.973
  155   2HB   GLU  24          2HB       GLU  24   8.077  -3.916  -3.916
  156   1HG   GLU  24          1HG       GLU  24   9.082  -1.586  -1.586
  157   2HG   GLU  24          2HG       GLU  24   9.360  -1.713  -1.713
  158    H    ILE  25           H        ILE  25   5.707  -3.723  -3.723
  159    HA   ILE  25           HA       ILE  25   5.395  -1.550  -1.550
  160    HB   ILE  25           HB       ILE  25   3.545  -3.928  -3.928
  161   1HG1  ILE  25          1HG1      ILE  25   5.814  -4.725  -4.725
  162   2HG1  ILE  25          2HG1      ILE  25   4.640  -5.114  -5.114
  163   1HG2  ILE  25          3HG2      ILE  25   3.688  -2.043  -2.043
  164   2HG2  ILE  25          1HG2      ILE  25   2.882  -3.626  -3.626
  165   3HG2  ILE  25          2HG2      ILE  25   2.307  -2.381  -2.381
  166   1HD1  ILE  25          3HD1      ILE  25   5.497  -3.192  -3.192
  167   2HD1  ILE  25          1HD1      ILE  25   6.726  -2.902  -2.902
  168   3HD1  ILE  25          2HD1      ILE  25   6.708  -4.428  -4.428
  169    H    CYS  26           H        CYS  26   3.442  -2.567  -2.567
  170    HA   CYS  26           HA       CYS  26   1.126  -0.988  -0.988
  171   1HB   CYS  26          1HB       CYS  26   1.111  -3.001  -3.001
  172   2HB   CYS  26          2HB       CYS  26   1.991  -2.234  -2.234
  173    H    GLU  27           H        GLU  27   3.828  -0.703  -0.703
  174    HA   GLU  27           HA       GLU  27   3.201   1.890   1.890
  175   1HB   GLU  27          1HB       GLU  27   4.813   0.274   0.274
  176   2HB   GLU  27          2HB       GLU  27   5.939   0.585   0.585
  177   1HG   GLU  27          1HG       GLU  27   6.174   2.899   2.899
  178   2HG   GLU  27          2HG       GLU  27   4.878   2.767   2.767
  179    H    LEU  28           H        LEU  28   5.123   0.813   0.813
  180    HA   LEU  28           HA       LEU  28   5.929   3.362   3.362
  181   1HB   LEU  28          1HB       LEU  28   5.791   0.576   0.576
  182   2HB   LEU  28          2HB       LEU  28   5.506   1.672   1.672
  183    HG   LEU  28           HG       LEU  28   7.826   0.983   0.983
  184   1HD1  LEU  28          1HD1      LEU  28   7.283   3.145   3.145
  185   2HD1  LEU  28          2HD1      LEU  28   7.455   3.977   3.977
  186   3HD1  LEU  28          3HD1      LEU  28   8.855   3.196   3.196
  187   1HD2  LEU  28          3HD2      LEU  28   7.965   0.784   0.784
  188   2HD2  LEU  28          1HD2      LEU  28   9.268   1.766   1.766
  189   3HD2  LEU  28          2HD2      LEU  28   7.923   2.553   2.553
  190    H    THR  29           H        THR  29   3.025   1.491   1.491
  191    HA   THR  29           HA       THR  29   1.948   3.344   3.344
  192    HB   THR  29           HB       THR  29   0.474   1.453   1.453
  193    HG1  THR  29          1HG       THR  29   2.133   0.504   0.504
  194   1HG2  THR  29          3HG2      THR  29  -0.338   2.636   2.636
  195   2HG2  THR  29          1HG2      THR  29  -1.247   1.406   1.406
  196   3HG2  THR  29          2HG2      THR  29  -1.048   3.029   3.029
  197    H    VAL  30           H        VAL  30   1.570   3.044   3.044
  198    HA   VAL  30           HA       VAL  30  -0.269   5.231   5.231
  199    HB   VAL  30           HB       VAL  30   1.569   3.961   3.961
  200   1HG1  VAL  30          1HG1      VAL  30  -0.837   5.800   5.800
  201   2HG1  VAL  30          2HG1      VAL  30   0.028   4.973   4.973
  202   3HG1  VAL  30          3HG1      VAL  30   0.840   6.232   6.232
  203   1HG2  VAL  30          1HG2      VAL  30  -1.367   3.591   3.591
  204   2HG2  VAL  30          2HG2      VAL  30  -0.120   2.378   2.378
  205   3HG2  VAL  30          3HG2      VAL  30  -0.618   2.886   2.886
  206    H    MET  31           H        MET  31   3.315   5.111   5.111
  207    HA   MET  31           HA       MET  31   3.729   7.838   7.838
  208   1HB   MET  31          1HB       MET  31   5.284   5.602   5.602
  209   2HB   MET  31          2HB       MET  31   5.727   6.684   6.684
  210   1HG   MET  31          1HG       MET  31   6.296   8.430   8.430
  211   2HG   MET  31          2HG       MET  31   5.685   7.444   7.444
  212   1HE   MET  31          3HE       MET  31   6.686   5.245   5.245
  213   2HE   MET  31          1HE       MET  31   6.974   4.469   4.469
  214   3HE   MET  31          2HE       MET  31   8.302   4.644   4.644
  215    H    GLN  32           H        GLN  32   3.358   6.144   6.144
  216    HA   GLN  32           HA       GLN  32   3.735   8.354   8.354
  217   1HB   GLN  32          1HB       GLN  32   3.495   5.768   5.768
  218   2HB   GLN  32          2HB       GLN  32   1.815   6.236   6.236
  219   1HG   GLN  32          1HG       GLN  32   2.721   8.002   8.002
  220   2HG   GLN  32          2HG       GLN  32   4.338   7.388   7.388
  221   1HE2  GLN  32          2HE2      GLN  32   2.296   5.738   5.738
  222   2HE2  GLN  32          1HE2      GLN  32   1.936   7.287   7.287
  223    H    ASN  33           H        ASN  33   0.891   7.650   7.650
  224    HA   ASN  33           HA       ASN  33  -0.622   9.775   9.775
  225   1HB   ASN  33          1HB       ASN  33  -2.464   8.516   8.516
  226   2HB   ASN  33          2HB       ASN  33  -1.237   7.242   7.242
  227   1HD2  ASN  33          2HD2      ASN  33  -2.215   5.536   5.536
  228   2HD2  ASN  33          1HD2      ASN  33  -0.885   5.855   5.855
  229    H    CYS  34           H        CYS  34   0.678   9.091   9.091
  230    HA   CYS  34           HA       CYS  34  -1.140  10.841  10.841
  231   1HB   CYS  34          1HB       CYS  34  -0.851   7.858   7.858
  232   2HB   CYS  34          2HB       CYS  34  -1.040   8.846   8.846
  233    H    GLU  35           H        GLU  35  -0.077  10.938  10.938
  234    HA   GLU  35           HA       GLU  35   2.903  10.676  10.676
  235   1HB   GLU  35          1HB       GLU  35   2.087  13.001  13.001
  236   2HB   GLU  35          2HB       GLU  35   1.343  12.491  12.491
  237   1HG   GLU  35          1HG       GLU  35   3.379  13.287  13.287
  238   2HG   GLU  35          2HG       GLU  35   3.788  11.591  11.591
  239    HA   PRO  36           HA       PRO  36   1.625   7.620   7.620
  240   1HB   PRO  36          1HB       PRO  36   3.511   5.716   5.716
  241   2HB   PRO  36          2HB       PRO  36   1.921   5.858   5.858
  242   1HG   PRO  36          1HG       PRO  36   4.654   6.860   6.860
  243   2HG   PRO  36          2HG       PRO  36   3.465   5.989   5.989
  244   1HD   PRO  36          1HD       PRO  36   3.796   8.732   8.732
  245   2HD   PRO  36          2HD       PRO  36   2.217   7.983   7.983
  246    HA   PRO  37           HA       PRO  37   2.931   5.671   5.671
  247   1HB   PRO  37          1HB       PRO  37   3.283   5.614   5.614
  248   2HB   PRO  37          2HB       PRO  37   4.558   5.119   5.119
  249   1HG   PRO  37          1HG       PRO  37   4.228   7.802   7.802
  250   2HG   PRO  37          2HG       PRO  37   5.725   6.828   6.828
  251   1HD   PRO  37          1HD       PRO  37   5.177   8.901   8.901
  252   2HD   PRO  37          2HD       PRO  37   5.956   7.412   7.412
  253    H    PHE  38           H        PHE  38   0.723   5.609   5.609
  254    HA   PHE  38           HA       PHE  38  -0.822   7.875   7.875
  255   1HB   PHE  38          1HB       PHE  38  -1.606   6.046   6.046
  256   2HB   PHE  38          2HB       PHE  38  -1.246   4.913   4.913
  257    HD1  PHE  38          2HD       PHE  38  -3.524   7.575   7.575
  258    HD2  PHE  38          1HD       PHE  38  -2.795   4.342   4.342
  259    HE1  PHE  38          2HE       PHE  38  -5.843   7.838   7.838
  260    HE2  PHE  38          1HE       PHE  38  -5.061   4.587   4.587
  261   1HZ   PHE  38           HZ       PHE  38  -6.557   6.445   6.445
  262    H    SER  39           H        SER  39  -0.714   9.023   9.023
  263    HA   SER  39           HA       SER  39  -0.926   7.761   7.761
  264   1HB   SER  39          1HB       SER  39   0.687  10.158  10.158
  265   2HB   SER  39          2HB       SER  39   0.538   9.659   9.659
  266    HG   SER  39           HG       SER  39   1.633   8.176   8.176

  Start of MODEL   13
    1    HA   ASP   1           HA       ASP   1  -6.597  -8.889  -8.889
    2   1HB   ASP   1          1HB       ASP   1  -4.001  -9.628  -9.628
    3   2HB   ASP   1          2HB       ASP   1  -4.118  -8.786  -8.786
    4    H    GLU   2           H        GLU   2  -6.630  -8.665  -8.665
    5    HA   GLU   2           HA       GLU   2  -7.640  -6.130  -6.130
    6   1HB   GLU   2          1HB       GLU   2  -6.339  -8.406  -8.406
    7   2HB   GLU   2          2HB       GLU   2  -6.908  -6.957  -6.957
    8   1HG   GLU   2          1HG       GLU   2  -8.770  -8.603  -8.603
    9   2HG   GLU   2          2HG       GLU   2  -8.655  -8.775  -8.775
   10    H    CYS   3           H        CYS   3  -4.318  -7.256  -7.256
   11    HA   CYS   3           HA       CYS   3  -3.008  -5.212  -5.212
   12   1HB   CYS   3          1HB       CYS   3  -1.830  -7.143  -7.143
   13   2HB   CYS   3          2HB       CYS   3  -2.237  -6.686  -6.686
   14    H    ALA   4           H        ALA   4  -4.126  -5.256  -5.256
   15    HA   ALA   4           HA       ALA   4  -3.318  -2.603  -2.603
   16   1HB   ALA   4          1HB       ALA   4  -4.003  -4.251  -4.251
   17   2HB   ALA   4          2HB       ALA   4  -5.671  -4.208  -4.208
   18   3HB   ALA   4          3HB       ALA   4  -4.953  -2.757  -2.757
   19    H    ASN   5           H        ASN   5  -6.287  -3.902  -3.902
   20    HA   ASN   5           HA       ASN   5  -7.706  -1.390  -1.390
   21   1HB   ASN   5          1HB       ASN   5  -8.003  -3.776  -3.776
   22   2HB   ASN   5          2HB       ASN   5  -9.024  -2.341  -2.341
   23   1HD2  ASN   5          2HD2      ASN   5 -10.419  -5.077  -5.077
   24   2HD2  ASN   5          1HD2      ASN   5  -9.768  -5.281  -5.281
   25    H    ALA   6           H        ALA   6  -5.540  -2.861  -2.861
   26    HA   ALA   6           HA       ALA   6  -5.621  -0.695  -0.695
   27   1HB   ALA   6          1HB       ALA   6  -3.387  -2.690  -2.690
   28   2HB   ALA   6          2HB       ALA   6  -3.428  -1.547  -1.547
   29   3HB   ALA   6          3HB       ALA   6  -4.640  -2.828  -2.828
   30    H    ALA   7           H        ALA   7  -3.574  -1.226  -1.226
   31    HA   ALA   7           HA       ALA   7  -2.025   1.118   1.118
   32   1HB   ALA   7          1HB       ALA   7  -1.718  -0.787  -0.787
   33   2HB   ALA   7          2HB       ALA   7  -2.974   0.004   0.004
   34   3HB   ALA   7          3HB       ALA   7  -1.491   0.872   0.872
   35    H    ALA   8           H        ALA   8  -5.141   0.609   0.609
   36    HA   ALA   8           HA       ALA   8  -5.510   3.225   3.225
   37   1HB   ALA   8          3HB       ALA   8  -6.861   1.283   1.283
   38   2HB   ALA   8          1HB       ALA   8  -7.640   1.228   1.228
   39   3HB   ALA   8          2HB       ALA   8  -7.878   2.630   2.630
   40    H    GLN   9           H        GLN   9  -6.412   1.755   1.755
   41    HA   GLN   9           HA       GLN   9  -7.672   4.148   4.148
   42   1HB   GLN   9          1HB       GLN   9  -8.333   1.994   1.994
   43   2HB   GLN   9          2HB       GLN   9  -6.697   1.618   1.618
   44   1HG   GLN   9          1HG       GLN   9  -6.821   3.143   3.143
   45   2HG   GLN   9          2HG       GLN   9  -8.125   4.078   4.078
   46   1HE2  GLN   9          2HE2      GLN   9  -9.723   0.636   0.636
   47   2HE2  GLN   9          1HE2      GLN   9  -8.526   0.554   0.554
   48    H    CYS  10           H        CYS  10  -4.346   3.491   3.491
   49    HA   CYS  10           HA       CYS  10  -2.481   4.592   4.592
   50   1HB   CYS  10          1HB       CYS  10  -3.476   6.662   6.662
   51   2HB   CYS  10          2HB       CYS  10  -4.469   6.736   6.736
   52    H    SER  11           H        SER  11  -2.640   2.652   2.652
   53    HA   SER  11           HA       SER  11  -1.708   3.793   3.793
   54   1HB   SER  11          1HB       SER  11  -4.105   3.258   3.258
   55   2HB   SER  11          2HB       SER  11  -3.905   1.675   1.675
   56    HG   SER  11           HG       SER  11  -3.799   1.917   1.917
   57    H    ILE  12           H        ILE  12   0.146   3.110   3.110
   58    HA   ILE  12           HA       ILE  12   1.333   0.842   0.842
   59    HB   ILE  12           HB       ILE  12   2.296   2.540   2.540
   60   1HG1  ILE  12          1HG1      ILE  12   1.809   3.999   3.999
   61   2HG1  ILE  12          2HG1      ILE  12   3.534   3.737   3.737
   62   1HG2  ILE  12          2HG2      ILE  12   3.847   0.733   0.733
   63   2HG2  ILE  12          3HG2      ILE  12   4.529   1.815   1.815
   64   3HG2  ILE  12          1HG2      ILE  12   3.553   0.419   0.419
   65   1HD1  ILE  12          2HD1      ILE  12   3.114   1.898   1.898
   66   2HD1  ILE  12          3HD1      ILE  12   1.517   2.629   2.629
   67   3HD1  ILE  12          1HD1      ILE  12   2.963   3.588   3.588
   68    H    THR  13           H        THR  13  -0.342   1.446   1.446
   69    HA   THR  13           HA       THR  13   0.629  -0.930  -0.930
   70    HB   THR  13           HB       THR  13  -2.028   0.477   0.477
   71    HG1  THR  13          1HG       THR  13   0.441   1.309   1.309
   72   1HG2  THR  13          1HG2      THR  13  -1.546  -1.560  -1.560
   73   2HG2  THR  13          2HG2      THR  13  -0.020  -0.832  -0.832
   74   3HG2  THR  13          3HG2      THR  13  -1.575  -0.082  -0.082
   75    H    LEU  14           H        LEU  14  -2.461  -0.071  -0.071
   76    HA   LEU  14           HA       LEU  14  -3.477  -2.774  -2.774
   77   1HB   LEU  14          1HB       LEU  14  -4.194  -0.437  -0.437
   78   2HB   LEU  14          2HB       LEU  14  -5.019  -1.966  -1.966
   79    HG   LEU  14           HG       LEU  14  -4.705  -0.078  -0.078
   80   1HD1  LEU  14          1HD1      LEU  14  -6.962  -0.556  -0.556
   81   2HD1  LEU  14          2HD1      LEU  14  -7.074   0.443   0.443
   82   3HD1  LEU  14          3HD1      LEU  14  -5.994   0.932   0.932
   83   1HD2  LEU  14          2HD2      LEU  14  -6.371  -2.512  -2.512
   84   2HD2  LEU  14          3HD2      LEU  14  -5.097  -2.376  -2.376
   85   3HD2  LEU  14          1HD2      LEU  14  -6.612  -1.446  -1.446
   86    H    CYS  15           H        CYS  15  -1.278  -1.046  -1.046
   87    HA   CYS  15           HA       CYS  15  -1.184  -3.012  -3.012
   88   1HB   CYS  15          1HB       CYS  15   1.029  -1.249  -1.249
   89   2HB   CYS  15          2HB       CYS  15   1.313  -2.411  -2.411
   90    H    ASN  16           H        ASN  16   1.202  -2.621  -2.621
   91    HA   ASN  16           HA       ASN  16   2.374  -5.082  -5.082
   92   1HB   ASN  16          1HB       ASN  16   2.108  -3.737  -3.737
   93   2HB   ASN  16          2HB       ASN  16   3.358  -4.875  -4.875
   94   1HD2  ASN  16          2HD2      ASN  16   5.009  -1.623  -1.623
   95   2HD2  ASN  16          1HD2      ASN  16   4.214  -2.659  -2.659
   96    H    LEU  17           H        LEU  17  -0.501  -4.404  -4.404
   97    HA   LEU  17           HA       LEU  17  -0.806  -6.605  -6.605
   98   1HB   LEU  17          1HB       LEU  17  -2.332  -4.548  -4.548
   99   2HB   LEU  17          2HB       LEU  17  -3.096  -5.520  -5.520
  100    HG   LEU  17           HG       LEU  17  -4.426  -5.668  -5.668
  101   1HD1  LEU  17          3HD1      LEU  17  -3.773  -7.954  -7.954
  102   2HD1  LEU  17          1HD1      LEU  17  -2.698  -8.106  -8.106
  103   3HD1  LEU  17          2HD1      LEU  17  -4.448  -7.909  -7.909
  104   1HD2  LEU  17          1HD2      LEU  17  -1.915  -5.969  -5.969
  105   2HD2  LEU  17          2HD2      LEU  17  -2.982  -4.562  -4.562
  106   3HD2  LEU  17          3HD2      LEU  17  -3.571  -6.074  -6.074
  107    H    TYR  18           H        TYR  18  -1.591  -6.507  -6.507
  108    HA   TYR  18           HA       TYR  18  -1.632  -9.518  -9.518
  109   1HB   TYR  18          1HB       TYR  18  -3.467  -7.598  -7.598
  110   2HB   TYR  18          2HB       TYR  18  -3.330  -9.309  -9.309
  111    HD1  TYR  18          2HD       TYR  18  -3.412 -10.942 -10.942
  112    HD2  TYR  18          1HD       TYR  18  -5.265  -7.079  -7.079
  113    HE1  TYR  18          2HE       TYR  18  -4.904 -11.539 -11.539
  114    HE2  TYR  18          1HE       TYR  18  -6.891  -7.735  -7.735
  115    HH   TYR  18           HH       TYR  18  -7.289  -9.235  -9.235
  116    H    CYS  19           H        CYS  19  -0.181  -6.774  -6.774
  117    HA   CYS  19           HA       CYS  19  -0.079  -7.817  -7.817
  118   1HB   CYS  19          1HB       CYS  19   1.488  -5.702  -5.702
  119   2HB   CYS  19          2HB       CYS  19   1.796  -6.116  -6.116
  120    H    GLY  20           H        GLY  20   2.244  -8.128  -8.128
  121   1HA   GLY  20          1HA       GLY  20   4.198  -9.333  -9.333
  122   2HA   GLY  20          2HA       GLY  20   3.470 -10.461 -10.461
  123    HA   PRO  21           HA       PRO  21   6.969  -8.832  -8.832
  124   1HB   PRO  21          1HB       PRO  21   6.608 -10.323 -10.323
  125   2HB   PRO  21          2HB       PRO  21   7.266 -10.998 -10.998
  126   1HG   PRO  21          1HG       PRO  21   4.462 -11.249 -11.249
  127   2HG   PRO  21          2HG       PRO  21   5.480 -12.509 -12.509
  128   1HD   PRO  21          1HD       PRO  21   3.546 -11.108 -11.108
  129   2HD   PRO  21          2HD       PRO  21   5.002 -11.775 -11.775
  130    H    LEU  22           H        LEU  22   3.530  -8.853  -8.853
  131    HA   LEU  22           HA       LEU  22   3.892  -6.912  -6.912
  132   1HB   LEU  22          1HB       LEU  22   1.488  -7.546  -7.546
  133   2HB   LEU  22          2HB       LEU  22   1.535  -6.467  -6.467
  134    HG   LEU  22           HG       LEU  22   2.185  -8.256  -8.256
  135   1HD1  LEU  22          3HD1      LEU  22   1.955 -10.125 -10.125
  136   2HD1  LEU  22          1HD1      LEU  22   1.796 -10.654 -10.654
  137   3HD1  LEU  22          2HD1      LEU  22   3.298  -9.913  -9.913
  138   1HD2  LEU  22          3HD2      LEU  22  -0.213  -7.653  -7.653
  139   2HD2  LEU  22          1HD2      LEU  22  -0.031  -9.358  -9.358
  140   3HD2  LEU  22          2HD2      LEU  22  -0.286  -8.916  -8.916
  141    H    ILE  23           H        ILE  23   4.466  -6.578  -6.578
  142    HA   ILE  23           HA       ILE  23   3.300  -4.108  -4.108
  143    HB   ILE  23           HB       ILE  23   5.914  -5.364  -5.364
  144   1HG1  ILE  23          1HG1      ILE  23   3.298  -4.722  -4.722
  145   2HG1  ILE  23          2HG1      ILE  23   3.554  -6.267  -6.267
  146   1HG2  ILE  23          3HG2      ILE  23   4.569  -2.778  -2.778
  147   2HG2  ILE  23          1HG2      ILE  23   5.806  -3.630  -3.630
  148   3HG2  ILE  23          2HG2      ILE  23   6.222  -2.949  -2.949
  149   1HD1  ILE  23          2HD1      ILE  23   5.582  -6.643  -6.643
  150   2HD1  ILE  23          3HD1      ILE  23   5.019  -5.277  -5.277
  151   3HD1  ILE  23          1HD1      ILE  23   4.009  -6.718  -6.718
  152    H    GLU  24           H        GLU  24   6.324  -4.816  -4.816
  153    HA   GLU  24           HA       GLU  24   7.198  -2.134  -2.134
  154   1HB   GLU  24          1HB       GLU  24   8.526  -4.307  -4.307
  155   2HB   GLU  24          2HB       GLU  24   7.826  -4.312  -4.312
  156   1HG   GLU  24          1HG       GLU  24   8.824  -1.918  -1.918
  157   2HG   GLU  24          2HG       GLU  24   9.781  -2.284  -2.284
  158    H    ILE  25           H        ILE  25   5.737  -3.751  -3.751
  159    HA   ILE  25           HA       ILE  25   5.314  -1.362  -1.362
  160    HB   ILE  25           HB       ILE  25   3.829  -4.000  -4.000
  161   1HG1  ILE  25          1HG1      ILE  25   6.237  -4.004  -4.004
  162   2HG1  ILE  25          2HG1      ILE  25   5.046  -4.604  -4.604
  163   1HG2  ILE  25          3HG2      ILE  25   3.381  -1.681  -1.681
  164   2HG2  ILE  25          1HG2      ILE  25   2.899  -3.357  -3.357
  165   3HG2  ILE  25          2HG2      ILE  25   2.196  -2.513  -2.513
  166   1HD1  ILE  25          2HD1      ILE  25   5.175  -2.465  -2.465
  167   2HD1  ILE  25          3HD1      ILE  25   6.375  -1.861  -1.861
  168   3HD1  ILE  25          1HD1      ILE  25   6.746  -3.251  -3.251
  169    H    CYS  26           H        CYS  26   3.612  -2.626  -2.626
  170    HA   CYS  26           HA       CYS  26   1.219  -1.051  -1.051
  171   1HB   CYS  26          1HB       CYS  26   1.462  -3.083  -3.083
  172   2HB   CYS  26          2HB       CYS  26   2.220  -2.074  -2.074
  173    H    GLU  27           H        GLU  27   4.231  -0.711  -0.711
  174    HA   GLU  27           HA       GLU  27   3.530   1.791   1.791
  175   1HB   GLU  27          1HB       GLU  27   5.338   0.127   0.127
  176   2HB   GLU  27          2HB       GLU  27   6.344   0.753   0.753
  177   1HG   GLU  27          1HG       GLU  27   6.150   3.041   3.041
  178   2HG   GLU  27          2HG       GLU  27   5.205   2.347   2.347
  179    H    LEU  28           H        LEU  28   5.208   0.795   0.795
  180    HA   LEU  28           HA       LEU  28   5.928   3.405   3.405
  181   1HB   LEU  28          1HB       LEU  28   5.784   0.644   0.644
  182   2HB   LEU  28          2HB       LEU  28   5.566   1.844   1.844
  183    HG   LEU  28           HG       LEU  28   7.885   1.105   1.105
  184   1HD1  LEU  28          1HD1      LEU  28   7.422   3.396   3.396
  185   2HD1  LEU  28          2HD1      LEU  28   7.655   4.041   4.041
  186   3HD1  LEU  28          3HD1      LEU  28   8.990   3.244   3.244
  187   1HD2  LEU  28          2HD2      LEU  28   7.877   0.652   0.652
  188   2HD2  LEU  28          3HD2      LEU  28   9.227   1.678   1.678
  189   3HD2  LEU  28          1HD2      LEU  28   7.827   2.392   2.392
  190    H    THR  29           H        THR  29   2.990   1.456   1.456
  191    HA   THR  29           HA       THR  29   1.712   3.361   3.361
  192    HB   THR  29           HB       THR  29   0.529   1.306   1.306
  193    HG1  THR  29          1HG       THR  29   1.864   0.468   0.468
  194   1HG2  THR  29          3HG2      THR  29  -0.763   2.912   2.912
  195   2HG2  THR  29          1HG2      THR  29  -1.494   1.494   1.494
  196   3HG2  THR  29          2HG2      THR  29  -1.200   2.951   2.951
  197    H    VAL  30           H        VAL  30   1.749   2.928   2.928
  198    HA   VAL  30           HA       VAL  30  -0.195   4.918   4.918
  199    HB   VAL  30           HB       VAL  30   1.930   3.730   3.730
  200   1HG1  VAL  30          1HG1      VAL  30  -0.520   5.395   5.395
  201   2HG1  VAL  30          2HG1      VAL  30   0.485   4.616   4.616
  202   3HG1  VAL  30          3HG1      VAL  30   1.141   5.945   5.945
  203   1HG2  VAL  30          2HG2      VAL  30   0.108   2.160   2.160
  204   2HG2  VAL  30          3HG2      VAL  30  -0.034   2.457   2.457
  205   3HG2  VAL  30          1HG2      VAL  30  -1.090   3.289   3.289
  206    H    MET  31           H        MET  31   3.380   5.083   5.083
  207    HA   MET  31           HA       MET  31   3.740   7.873   7.873
  208   1HB   MET  31          1HB       MET  31   5.352   5.784   5.784
  209   2HB   MET  31          2HB       MET  31   5.266   6.413   6.413
  210   1HG   MET  31          1HG       MET  31   5.857   8.723   8.723
  211   2HG   MET  31          2HG       MET  31   6.346   7.877   7.877
  212   1HE   MET  31          2HE       MET  31   7.680   5.209   5.209
  213   2HE   MET  31          3HE       MET  31   9.362   5.746   5.746
  214   3HE   MET  31          1HE       MET  31   8.433   6.263   6.263
  215    H    GLN  32           H        GLN  32   2.881   6.016   6.016
  216    HA   GLN  32           HA       GLN  32   2.968   8.150   8.150
  217   1HB   GLN  32          1HB       GLN  32   2.703   5.472   5.472
  218   2HB   GLN  32          2HB       GLN  32   1.063   5.965   5.965
  219   1HG   GLN  32          1HG       GLN  32   3.611   7.072   7.072
  220   2HG   GLN  32          2HG       GLN  32   2.749   5.658   5.658
  221   1HE2  GLN  32          2HE2      GLN  32   0.960   9.341   9.341
  222   2HE2  GLN  32          1HE2      GLN  32   2.228   9.190   9.190
  223    H    ASN  33           H        ASN  33   0.152   6.809   6.809
  224    HA   ASN  33           HA       ASN  33  -1.625   8.805   8.805
  225   1HB   ASN  33          1HB       ASN  33  -3.433   7.680   7.680
  226   2HB   ASN  33          2HB       ASN  33  -2.346   6.478   6.478
  227   1HD2  ASN  33          2HD2      ASN  33  -3.303   4.837   4.837
  228   2HD2  ASN  33          1HD2      ASN  33  -4.090   5.399   5.399
  229    H    CYS  34           H        CYS  34   0.159   8.544   8.544
  230    HA   CYS  34           HA       CYS  34  -1.111  10.970  10.970
  231   1HB   CYS  34          1HB       CYS  34  -2.179   9.916   9.916
  232   2HB   CYS  34          2HB       CYS  34  -2.395   8.679   8.679
  233    H    GLU  35           H        GLU  35  -0.124  10.846  10.846
  234    HA   GLU  35           HA       GLU  35   2.843  10.514  10.514
  235   1HB   GLU  35          1HB       GLU  35   2.234  12.815  12.815
  236   2HB   GLU  35          2HB       GLU  35   1.381  12.397  12.397
  237   1HG   GLU  35          1HG       GLU  35   3.552  11.519  11.519
  238   2HG   GLU  35          2HG       GLU  35   4.346  11.891  11.891
  239    HA   PRO  36           HA       PRO  36   1.871   7.533   7.533
  240   1HB   PRO  36          1HB       PRO  36   3.885   5.723   5.723
  241   2HB   PRO  36          2HB       PRO  36   2.271   5.732   5.732
  242   1HG   PRO  36          1HG       PRO  36   4.910   6.819   6.819
  243   2HG   PRO  36          2HG       PRO  36   3.687   5.911   5.911
  244   1HD   PRO  36          1HD       PRO  36   3.991   8.684   8.684
  245   2HD   PRO  36          2HD       PRO  36   2.437   7.886   7.886
  246    HA   PRO  37           HA       PRO  37   3.144   5.697   5.697
  247   1HB   PRO  37          1HB       PRO  37   3.599   5.508   5.508
  248   2HB   PRO  37          2HB       PRO  37   4.900   5.186   5.186
  249   1HG   PRO  37          1HG       PRO  37   4.408   7.758   7.758
  250   2HG   PRO  37          2HG       PRO  37   5.951   6.877   6.877
  251   1HD   PRO  37          1HD       PRO  37   5.233   9.005   9.005
  252   2HD   PRO  37          2HD       PRO  37   6.194   7.645   7.645
  253    H    PHE  38           H        PHE  38   0.827   5.596   5.596
  254    HA   PHE  38           HA       PHE  38  -0.317   8.130   8.130
  255   1HB   PHE  38          1HB       PHE  38  -1.572   7.350   7.350
  256   2HB   PHE  38          2HB       PHE  38  -1.091   5.707   5.707
  257    HD1  PHE  38          2HD       PHE  38  -2.081   4.305   4.305
  258    HD2  PHE  38          1HD       PHE  38  -3.475   8.204   8.204
  259    HE1  PHE  38          2HE       PHE  38  -4.110   3.924   3.924
  260    HE2  PHE  38          1HE       PHE  38  -5.497   7.890   7.890
  261   1HZ   PHE  38           HZ       PHE  38  -5.747   5.752   5.752
  262    H    SER  39           H        SER  39  -1.331   8.396   8.396
  263    HA   SER  39           HA       SER  39  -2.479   6.387   6.387
  264   1HB   SER  39          1HB       SER  39   0.162   6.413   6.413
  265   2HB   SER  39          2HB       SER  39  -0.488   7.702   7.702
  266    HG   SER  39           HG       SER  39  -1.476   5.031   5.031

  Start of MODEL   14
    1    HA   ASP   1           HA       ASP   1  -6.980  -9.570  -9.570
    2   1HB   ASP   1          1HB       ASP   1  -4.633  -8.972  -8.972
    3   2HB   ASP   1          2HB       ASP   1  -4.865  -9.891  -9.891
    4    H    GLU   2           H        GLU   2  -6.952  -8.921  -8.921
    5    HA   GLU   2           HA       GLU   2  -8.108  -6.312  -6.312
    6   1HB   GLU   2          1HB       GLU   2  -8.159  -8.603  -8.603
    7   2HB   GLU   2          2HB       GLU   2  -6.759  -7.852  -7.852
    8   1HG   GLU   2          1HG       GLU   2  -8.652  -7.155  -7.155
    9   2HG   GLU   2          2HG       GLU   2  -8.280  -5.743  -5.743
   10    H    CYS   3           H        CYS   3  -4.846  -7.690  -7.690
   11    HA   CYS   3           HA       CYS   3  -3.373  -5.559  -5.559
   12   1HB   CYS   3          1HB       CYS   3  -2.325  -7.594  -7.594
   13   2HB   CYS   3          2HB       CYS   3  -2.854  -7.529  -7.529
   14    H    ALA   4           H        ALA   4  -4.825  -5.778  -5.778
   15    HA   ALA   4           HA       ALA   4  -3.676  -3.319  -3.319
   16   1HB   ALA   4          1HB       ALA   4  -4.687  -4.861  -4.861
   17   2HB   ALA   4          2HB       ALA   4  -6.289  -4.632  -4.632
   18   3HB   ALA   4          3HB       ALA   4  -5.478  -3.284  -3.284
   19    H    ASN   5           H        ASN   5  -6.763  -4.181  -4.181
   20    HA   ASN   5           HA       ASN   5  -7.926  -1.603  -1.603
   21   1HB   ASN   5          1HB       ASN   5  -9.223  -3.597  -3.597
   22   2HB   ASN   5          2HB       ASN   5  -8.255  -3.987  -3.987
   23   1HD2  ASN   5          2HD2      ASN   5 -11.075  -2.745  -2.745
   24   2HD2  ASN   5          1HD2      ASN   5 -10.315  -4.178  -4.178
   25    H    ALA   6           H        ALA   6  -5.612  -3.173  -3.173
   26    HA   ALA   6           HA       ALA   6  -5.580  -1.155  -1.155
   27   1HB   ALA   6          2HB       ALA   6  -4.506  -3.350  -3.350
   28   2HB   ALA   6          3HB       ALA   6  -3.297  -2.955  -2.955
   29   3HB   ALA   6          1HB       ALA   6  -3.354  -2.022  -2.022
   30    H    ALA   7           H        ALA   7  -3.687  -1.405  -1.405
   31    HA   ALA   7           HA       ALA   7  -2.242   1.060   1.060
   32   1HB   ALA   7          2HB       ALA   7  -1.561  -0.619  -0.619
   33   2HB   ALA   7          3HB       ALA   7  -3.044  -0.246  -0.246
   34   3HB   ALA   7          1HB       ALA   7  -1.827   1.011   1.011
   35    H    ALA   8           H        ALA   8  -5.277   0.249   0.249
   36    HA   ALA   8           HA       ALA   8  -5.875   2.828   2.828
   37   1HB   ALA   8          1HB       ALA   8  -7.045   0.729   0.729
   38   2HB   ALA   8          2HB       ALA   8  -7.909   0.726   0.726
   39   3HB   ALA   8          3HB       ALA   8  -8.150   2.054   2.054
   40    H    GLN   9           H        GLN   9  -6.358   1.359   1.359
   41    HA   GLN   9           HA       GLN   9  -8.026   3.427   3.427
   42   1HB   GLN   9          1HB       GLN   9  -8.110   1.073   1.073
   43   2HB   GLN   9          2HB       GLN   9  -6.448   1.125   1.125
   44   1HG   GLN   9          1HG       GLN   9  -7.146   2.442   2.442
   45   2HG   GLN   9          2HG       GLN   9  -8.740   2.738   2.738
   46   1HE2  GLN   9          2HE2      GLN   9  -8.533  -1.250  -1.250
   47   2HE2  GLN   9          1HE2      GLN   9  -7.489  -0.507  -0.507
   48    H    CYS  10           H        CYS  10  -4.664   3.339   3.339
   49    HA   CYS  10           HA       CYS  10  -2.871   4.479   4.479
   50   1HB   CYS  10          1HB       CYS  10  -3.786   6.423   6.423
   51   2HB   CYS  10          2HB       CYS  10  -4.926   6.638   6.638
   52    H    SER  11           H        SER  11  -2.812   2.651   2.651
   53    HA   SER  11           HA       SER  11  -1.713   4.063   4.063
   54   1HB   SER  11          1HB       SER  11  -3.931   3.449   3.449
   55   2HB   SER  11          2HB       SER  11  -3.814   1.858   1.858
   56    HG   SER  11           HG       SER  11  -3.379   2.123   2.123
   57    H    ILE  12           H        ILE  12   0.095   3.273   3.273
   58    HA   ILE  12           HA       ILE  12   1.396   1.285   1.285
   59    HB   ILE  12           HB       ILE  12   2.488   2.901   2.901
   60   1HG1  ILE  12          1HG1      ILE  12   1.604   4.428   4.428
   61   2HG1  ILE  12          2HG1      ILE  12   3.328   4.368   4.368
   62   1HG2  ILE  12          1HG2      ILE  12   3.727   1.084   1.084
   63   2HG2  ILE  12          2HG2      ILE  12   4.625   2.358   2.358
   64   3HG2  ILE  12          3HG2      ILE  12   3.857   1.046   1.046
   65   1HD1  ILE  12          3HD1      ILE  12   2.827   2.565   2.565
   66   2HD1  ILE  12          1HD1      ILE  12   1.263   3.366   3.366
   67   3HD1  ILE  12          2HD1      ILE  12   2.741   4.300   4.300
   68    H    THR  13           H        THR  13   0.003   1.759   1.759
   69    HA   THR  13           HA       THR  13   1.039  -0.703  -0.703
   70    HB   THR  13           HB       THR  13  -1.402   0.982   0.982
   71    HG1  THR  13          1HG       THR  13   0.104   2.140   2.140
   72   1HG2  THR  13          1HG2      THR  13  -0.071  -1.295  -1.295
   73   2HG2  THR  13          2HG2      THR  13  -1.374  -0.215  -0.215
   74   3HG2  THR  13          3HG2      THR  13  -1.670  -1.352  -1.352
   75    H    LEU  14           H        LEU  14  -2.134   0.204   0.204
   76    HA   LEU  14           HA       LEU  14  -3.111  -2.489  -2.489
   77   1HB   LEU  14          1HB       LEU  14  -3.826  -0.194  -0.194
   78   2HB   LEU  14          2HB       LEU  14  -4.520  -1.772  -1.772
   79    HG   LEU  14           HG       LEU  14  -4.545  -0.640  -0.640
   80   1HD1  LEU  14          2HD1      LEU  14  -5.975   0.610   0.610
   81   2HD1  LEU  14          3HD1      LEU  14  -6.857   0.428   0.428
   82   3HD1  LEU  14          1HD1      LEU  14  -5.367   1.365   1.365
   83   1HD2  LEU  14          2HD2      LEU  14  -5.419  -2.868  -2.868
   84   2HD2  LEU  14          3HD2      LEU  14  -6.665  -1.797  -1.797
   85   3HD2  LEU  14          1HD2      LEU  14  -6.567  -2.021  -2.021
   86    H    CYS  15           H        CYS  15  -1.061  -0.802  -0.802
   87    HA   CYS  15           HA       CYS  15  -0.770  -2.896  -2.896
   88   1HB   CYS  15          1HB       CYS  15   1.318  -0.939  -0.939
   89   2HB   CYS  15          2HB       CYS  15   1.656  -2.124  -2.124
   90    H    ASN  16           H        ASN  16   1.338  -2.308  -2.308
   91    HA   ASN  16           HA       ASN  16   2.606  -4.812  -4.812
   92   1HB   ASN  16          1HB       ASN  16   2.105  -3.384  -3.384
   93   2HB   ASN  16          2HB       ASN  16   3.409  -4.504  -4.504
   94   1HD2  ASN  16          2HD2      ASN  16   4.711  -0.993  -0.993
   95   2HD2  ASN  16          1HD2      ASN  16   3.613  -1.844  -1.844
   96    H    LEU  17           H        LEU  17  -0.491  -4.077  -4.077
   97    HA   LEU  17           HA       LEU  17  -0.608  -6.123  -6.123
   98   1HB   LEU  17          1HB       LEU  17  -2.184  -4.130  -4.130
   99   2HB   LEU  17          2HB       LEU  17  -3.072  -5.237  -5.237
  100    HG   LEU  17           HG       LEU  17  -3.993  -4.820  -4.820
  101   1HD1  LEU  17          2HD1      LEU  17  -4.487  -6.901  -6.901
  102   2HD1  LEU  17          3HD1      LEU  17  -3.138  -7.712  -7.712
  103   3HD1  LEU  17          1HD1      LEU  17  -4.527  -7.087  -7.087
  104   1HD2  LEU  17          3HD2      LEU  17  -1.785  -4.576  -4.576
  105   2HD2  LEU  17          1HD2      LEU  17  -3.004  -5.552  -5.552
  106   3HD2  LEU  17          2HD2      LEU  17  -1.661  -6.353  -6.353
  107    H    TYR  18           H        TYR  18  -1.473  -6.264  -6.264
  108    HA   TYR  18           HA       TYR  18  -1.211  -9.230  -9.230
  109   1HB   TYR  18          1HB       TYR  18  -3.471  -7.587  -7.587
  110   2HB   TYR  18          2HB       TYR  18  -3.265  -9.304  -9.304
  111    HD1  TYR  18          1HD       TYR  18  -2.528 -10.246 -10.246
  112    HD2  TYR  18          2HD       TYR  18  -5.661  -7.686  -7.686
  113    HE1  TYR  18          1HE       TYR  18  -3.849 -10.705 -10.705
  114    HE2  TYR  18          2HE       TYR  18  -7.052  -8.292  -8.292
  115    HH   TYR  18           HH       TYR  18  -5.637  -9.923  -9.923
  116    H    CYS  19           H        CYS  19   0.230  -6.634  -6.634
  117    HA   CYS  19           HA       CYS  19  -0.379  -7.696  -7.696
  118   1HB   CYS  19          1HB       CYS  19   1.420  -5.521  -5.521
  119   2HB   CYS  19          2HB       CYS  19   1.591  -6.259  -6.259
  120    H    GLY  20           H        GLY  20   2.170  -8.521  -8.521
  121   1HA   GLY  20          1HA       GLY  20   3.693 -10.184 -10.184
  122   2HA   GLY  20          2HA       GLY  20   2.908 -10.781 -10.781
  123    HA   PRO  21           HA       PRO  21   6.909  -9.086  -9.086
  124   1HB   PRO  21          1HB       PRO  21   6.621  -9.942  -9.942
  125   2HB   PRO  21          2HB       PRO  21   7.284 -10.934 -10.934
  126   1HG   PRO  21          1HG       PRO  21   4.497 -10.955 -10.955
  127   2HG   PRO  21          2HG       PRO  21   5.482 -12.350 -12.350
  128   1HD   PRO  21          1HD       PRO  21   3.515 -11.348 -11.348
  129   2HD   PRO  21          2HD       PRO  21   5.006 -12.024 -12.024
  130    H    LEU  22           H        LEU  22   3.596  -8.716  -8.716
  131    HA   LEU  22           HA       LEU  22   4.334  -6.532  -6.532
  132   1HB   LEU  22          1HB       LEU  22   1.631  -7.230  -7.230
  133   2HB   LEU  22          2HB       LEU  22   1.972  -6.306  -6.306
  134    HG   LEU  22           HG       LEU  22   1.407  -8.239  -8.239
  135   1HD1  LEU  22          3HD1      LEU  22   3.696  -7.796  -7.796
  136   2HD1  LEU  22          1HD1      LEU  22   4.305  -9.044  -9.044
  137   3HD1  LEU  22          2HD1      LEU  22   3.174  -9.478  -9.478
  138   1HD2  LEU  22          2HD2      LEU  22   0.823  -9.483  -9.483
  139   2HD2  LEU  22          3HD2      LEU  22   1.601 -10.486 -10.486
  140   3HD2  LEU  22          1HD2      LEU  22   2.489 -10.048 -10.048
  141    H    ILE  23           H        ILE  23   4.303  -6.647  -6.647
  142    HA   ILE  23           HA       ILE  23   3.197  -4.177  -4.177
  143    HB   ILE  23           HB       ILE  23   5.684  -5.720  -5.720
  144   1HG1  ILE  23          1HG1      ILE  23   3.012  -5.133  -5.133
  145   2HG1  ILE  23          2HG1      ILE  23   3.329  -6.587  -6.587
  146   1HG2  ILE  23          3HG2      ILE  23   4.537  -3.159  -3.159
  147   2HG2  ILE  23          1HG2      ILE  23   5.726  -4.205  -4.205
  148   3HG2  ILE  23          2HG2      ILE  23   6.164  -3.390  -3.390
  149   1HD1  ILE  23          1HD1      ILE  23   5.136  -7.234  -7.234
  150   2HD1  ILE  23          2HD1      ILE  23   4.706  -5.838  -5.838
  151   3HD1  ILE  23          3HD1      ILE  23   3.526  -7.123  -7.123
  152    H    GLU  24           H        GLU  24   6.251  -4.888  -4.888
  153    HA   GLU  24           HA       GLU  24   7.182  -2.205  -2.205
  154   1HB   GLU  24          1HB       GLU  24   8.575  -4.286  -4.286
  155   2HB   GLU  24          2HB       GLU  24   7.603  -4.593  -4.593
  156   1HG   GLU  24          1HG       GLU  24   8.573  -2.602  -2.602
  157   2HG   GLU  24          2HG       GLU  24   9.507  -2.268  -2.268
  158    H    ILE  25           H        ILE  25   5.597  -3.808  -3.808
  159    HA   ILE  25           HA       ILE  25   5.445  -1.452  -1.452
  160    HB   ILE  25           HB       ILE  25   3.683  -3.934  -3.934
  161   1HG1  ILE  25          1HG1      ILE  25   4.892  -4.237  -4.237
  162   2HG1  ILE  25          2HG1      ILE  25   5.971  -2.926  -2.926
  163   1HG2  ILE  25          3HG2      ILE  25   3.675  -1.609  -1.609
  164   2HG2  ILE  25          1HG2      ILE  25   2.889  -3.179  -3.179
  165   3HG2  ILE  25          2HG2      ILE  25   2.321  -2.137  -2.137
  166   1HD1  ILE  25          2HD1      ILE  25   5.595  -5.331  -5.331
  167   2HD1  ILE  25          3HD1      ILE  25   6.713  -5.366  -5.366
  168   3HD1  ILE  25          1HD1      ILE  25   6.969  -4.188  -4.188
  169    H    CYS  26           H        CYS  26   3.449  -2.651  -2.651
  170    HA   CYS  26           HA       CYS  26   1.223  -0.893  -0.893
  171   1HB   CYS  26          1HB       CYS  26   1.373  -3.039  -3.039
  172   2HB   CYS  26          2HB       CYS  26   2.180  -2.201  -2.201
  173    H    GLU  27           H        GLU  27   4.197  -0.806  -0.806
  174    HA   GLU  27           HA       GLU  27   3.454   1.693   1.693
  175   1HB   GLU  27          1HB       GLU  27   5.249   0.014   0.014
  176   2HB   GLU  27          2HB       GLU  27   6.315   0.739   0.739
  177   1HG   GLU  27          1HG       GLU  27   5.718   3.016   3.016
  178   2HG   GLU  27          2HG       GLU  27   4.875   2.116   2.116
  179    H    LEU  28           H        LEU  28   5.137   0.723   0.723
  180    HA   LEU  28           HA       LEU  28   5.999   3.286   3.286
  181   1HB   LEU  28          1HB       LEU  28   5.797   0.581   0.581
  182   2HB   LEU  28          2HB       LEU  28   5.460   1.781   1.781
  183    HG   LEU  28           HG       LEU  28   7.773   2.740   2.740
  184   1HD1  LEU  28          3HD1      LEU  28   7.990  -0.184  -0.184
  185   2HD1  LEU  28          1HD1      LEU  28   9.309   0.901   0.901
  186   3HD1  LEU  28          2HD1      LEU  28   8.001   0.510   0.510
  187   1HD2  LEU  28          2HD2      LEU  28   7.130   3.128   3.128
  188   2HD2  LEU  28          3HD2      LEU  28   8.784   2.562   2.562
  189   3HD2  LEU  28          1HD2      LEU  28   7.536   1.433   1.433
  190    H    THR  29           H        THR  29   2.918   1.521   1.521
  191    HA   THR  29           HA       THR  29   1.853   3.439   3.439
  192    HB   THR  29           HB       THR  29   0.307   1.781   1.781
  193    HG1  THR  29          1HG       THR  29   0.990   0.976   0.976
  194   1HG2  THR  29          3HG2      THR  29  -0.488   2.861   2.861
  195   2HG2  THR  29          1HG2      THR  29  -1.475   1.774   1.774
  196   3HG2  THR  29          2HG2      THR  29  -1.119   3.407   3.407
  197    H    VAL  30           H        VAL  30   1.528   3.093   3.093
  198    HA   VAL  30           HA       VAL  30  -0.197   5.329   5.329
  199    HB   VAL  30           HB       VAL  30   1.561   4.093   4.093
  200   1HG1  VAL  30          2HG1      VAL  30  -0.951   5.822   5.822
  201   2HG1  VAL  30          3HG1      VAL  30  -0.183   5.083   5.083
  202   3HG1  VAL  30          1HG1      VAL  30   0.660   6.343   6.343
  203   1HG2  VAL  30          1HG2      VAL  30  -1.333   3.565   3.565
  204   2HG2  VAL  30          2HG2      VAL  30  -0.002   2.418   2.418
  205   3HG2  VAL  30          3HG2      VAL  30  -0.573   2.894   2.894
  206    H    MET  31           H        MET  31   3.391   5.065   5.065
  207    HA   MET  31           HA       MET  31   3.845   7.806   7.806
  208   1HB   MET  31          1HB       MET  31   5.414   5.585   5.585
  209   2HB   MET  31          2HB       MET  31   5.804   6.681   6.681
  210   1HG   MET  31          1HG       MET  31   5.837   7.290   7.290
  211   2HG   MET  31          2HG       MET  31   7.271   6.997   6.997
  212   1HE   MET  31          3HE       MET  31   7.063   8.495   8.495
  213   2HE   MET  31          1HE       MET  31   7.670  10.109  10.109
  214   3HE   MET  31          2HE       MET  31   8.473   8.653   8.653
  215    H    GLN  32           H        GLN  32   3.263   6.116   6.116
  216    HA   GLN  32           HA       GLN  32   3.830   8.259   8.259
  217   1HB   GLN  32          1HB       GLN  32   3.557   5.744   5.744
  218   2HB   GLN  32          2HB       GLN  32   1.843   6.127   6.127
  219   1HG   GLN  32          1HG       GLN  32   2.234   7.623   7.623
  220   2HG   GLN  32          2HG       GLN  32   3.979   7.655   7.655
  221   1HE2  GLN  32          2HE2      GLN  32   2.469   4.358   4.358
  222   2HE2  GLN  32          1HE2      GLN  32   1.354   5.445   5.445
  223    H    ASN  33           H        ASN  33   0.801   7.319   7.319
  224    HA   ASN  33           HA       ASN  33  -0.621   9.504   9.504
  225   1HB   ASN  33          1HB       ASN  33  -2.557   8.298   8.298
  226   2HB   ASN  33          2HB       ASN  33  -1.292   7.120   7.120
  227   1HD2  ASN  33          2HD2      ASN  33  -3.602   5.664   5.664
  228   2HD2  ASN  33          1HD2      ASN  33  -3.728   6.209   6.209
  229    H    CYS  34           H        CYS  34   0.105   8.560   8.560
  230    HA   CYS  34           HA       CYS  34  -1.705  10.704  10.704
  231   1HB   CYS  34          1HB       CYS  34  -2.189   8.154   8.154
  232   2HB   CYS  34          2HB       CYS  34  -0.761   8.173   8.173
  233    H    GLU  35           H        GLU  35  -0.804  10.968  10.968
  234    HA   GLU  35           HA       GLU  35   2.161  11.432  11.432
  235   1HB   GLU  35          1HB       GLU  35   0.767  13.485  13.485
  236   2HB   GLU  35          2HB       GLU  35   0.128  12.786  12.786
  237   1HG   GLU  35          1HG       GLU  35   1.836  14.205  14.205
  238   2HG   GLU  35          2HG       GLU  35   2.690  12.653  12.653
  239    HA   PRO  36           HA       PRO  36   1.450   8.181   8.181
  240   1HB   PRO  36          1HB       PRO  36   3.418   6.404   6.404
  241   2HB   PRO  36          2HB       PRO  36   1.770   6.445   6.445
  242   1HG   PRO  36          1HG       PRO  36   4.337   7.704   7.704
  243   2HG   PRO  36          2HG       PRO  36   3.212   6.667   6.667
  244   1HD   PRO  36          1HD       PRO  36   3.164   9.414   9.414
  245   2HD   PRO  36          2HD       PRO  36   1.659   8.457   8.457
  246    HA   PRO  37           HA       PRO  37   2.903   6.298   6.298
  247   1HB   PRO  37          1HB       PRO  37   3.218   6.233   6.233
  248   2HB   PRO  37          2HB       PRO  37   4.514   5.813   5.813
  249   1HG   PRO  37          1HG       PRO  37   4.101   8.430   8.430
  250   2HG   PRO  37          2HG       PRO  37   5.614   7.499   7.499
  251   1HD   PRO  37          1HD       PRO  37   4.975   9.629   9.629
  252   2HD   PRO  37          2HD       PRO  37   5.829   8.208   8.208
  253    H    PHE  38           H        PHE  38   0.687   5.850   5.850
  254    HA   PHE  38           HA       PHE  38  -1.012   8.067   8.067
  255   1HB   PHE  38          1HB       PHE  38  -1.655   6.213   6.213
  256   2HB   PHE  38          2HB       PHE  38  -1.199   5.070   5.070
  257    HD1  PHE  38          2HD       PHE  38  -3.549   7.769   7.769
  258    HD2  PHE  38          1HD       PHE  38  -2.681   4.288   4.288
  259    HE1  PHE  38          2HE       PHE  38  -5.903   7.812   7.812
  260    HE2  PHE  38          1HE       PHE  38  -5.076   4.182   4.182
  261   1HZ   PHE  38           HZ       PHE  38  -6.658   5.980   5.980
  262    H    SER  39           H        SER  39  -2.490   7.805   7.805
  263    HA   SER  39           HA       SER  39  -1.008   8.208   8.208
  264   1HB   SER  39          1HB       SER  39  -3.485   8.104   8.104
  265   2HB   SER  39          2HB       SER  39  -3.024   9.422   9.422
  266    HG   SER  39           HG       SER  39  -4.012   6.943   6.943

  Start of MODEL   15
    1    HA   ASP   1           HA       ASP   1  -7.280  -8.931  -8.931
    2   1HB   ASP   1          1HB       ASP   1  -4.855  -9.043  -9.043
    3   2HB   ASP   1          2HB       ASP   1  -4.354  -8.219  -8.219
    4    H    GLU   2           H        GLU   2  -6.439  -8.906  -8.906
    5    HA   GLU   2           HA       GLU   2  -7.607  -6.684  -6.684
    6   1HB   GLU   2          1HB       GLU   2  -5.591  -8.758  -8.758
    7   2HB   GLU   2          2HB       GLU   2  -6.620  -7.698  -7.698
    8   1HG   GLU   2          1HG       GLU   2  -8.636  -8.738  -8.738
    9   2HG   GLU   2          2HG       GLU   2  -7.620  -9.875  -9.875
   10    H    CYS   3           H        CYS   3  -4.241  -7.581  -7.581
   11    HA   CYS   3           HA       CYS   3  -2.976  -5.479  -5.479
   12   1HB   CYS   3          1HB       CYS   3  -1.716  -7.339  -7.339
   13   2HB   CYS   3          2HB       CYS   3  -2.168  -6.799  -6.799
   14    H    ALA   4           H        ALA   4  -4.129  -5.568  -5.568
   15    HA   ALA   4           HA       ALA   4  -3.455  -2.884  -2.884
   16   1HB   ALA   4          3HB       ALA   4  -4.042  -4.527  -4.527
   17   2HB   ALA   4          1HB       ALA   4  -5.720  -4.595  -4.595
   18   3HB   ALA   4          2HB       ALA   4  -5.087  -3.105  -3.105
   19    H    ASN   5           H        ASN   5  -6.376  -4.302  -4.302
   20    HA   ASN   5           HA       ASN   5  -7.849  -1.877  -1.877
   21   1HB   ASN   5          1HB       ASN   5  -7.853  -4.060  -4.060
   22   2HB   ASN   5          2HB       ASN   5  -9.021  -2.790  -2.790
   23   1HD2  ASN   5          2HD2      ASN   5 -10.578  -5.831  -5.831
   24   2HD2  ASN   5          1HD2      ASN   5 -10.193  -5.088  -5.088
   25    H    ALA   6           H        ALA   6  -5.446  -3.214  -3.214
   26    HA   ALA   6           HA       ALA   6  -5.558  -1.072  -1.072
   27   1HB   ALA   6          2HB       ALA   6  -3.182  -2.826  -2.826
   28   2HB   ALA   6          3HB       ALA   6  -3.264  -1.758  -1.758
   29   3HB   ALA   6          1HB       ALA   6  -4.340  -3.164  -3.164
   30    H    ALA   7           H        ALA   7  -3.540  -1.508  -1.508
   31    HA   ALA   7           HA       ALA   7  -2.155   0.945   0.945
   32   1HB   ALA   7          2HB       ALA   7  -1.667  -0.922  -0.922
   33   2HB   ALA   7          3HB       ALA   7  -3.039  -0.335  -0.335
   34   3HB   ALA   7          1HB       ALA   7  -1.649   0.721   0.721
   35    H    ALA   8           H        ALA   8  -5.332   0.201   0.201
   36    HA   ALA   8           HA       ALA   8  -5.839   2.847   2.847
   37   1HB   ALA   8          1HB       ALA   8  -7.081   0.886   0.886
   38   2HB   ALA   8          2HB       ALA   8  -7.802   0.669   0.669
   39   3HB   ALA   8          3HB       ALA   8  -8.156   2.126   2.126
   40    H    GLN   9           H        GLN   9  -6.241   1.346   1.346
   41    HA   GLN   9           HA       GLN   9  -7.806   3.539   3.539
   42   1HB   GLN   9          1HB       GLN   9  -7.539   1.062   1.062
   43   2HB   GLN   9          2HB       GLN   9  -6.153   1.640   1.640
   44   1HG   GLN   9          1HG       GLN   9  -9.043   2.678   2.678
   45   2HG   GLN   9          2HG       GLN   9  -8.334   1.506   1.506
   46   1HE2  GLN   9          2HE2      GLN   9  -6.244   4.059   4.059
   47   2HE2  GLN   9          1HE2      GLN   9  -6.169   2.381   2.381
   48    H    CYS  10           H        CYS  10  -4.427   3.173   3.173
   49    HA   CYS  10           HA       CYS  10  -2.551   4.299   4.299
   50   1HB   CYS  10          1HB       CYS  10  -3.460   6.331   6.331
   51   2HB   CYS  10          2HB       CYS  10  -4.480   6.570   6.570
   52    H    SER  11           H        SER  11  -2.695   2.511   2.511
   53    HA   SER  11           HA       SER  11  -1.713   3.949   3.949
   54   1HB   SER  11          1HB       SER  11  -4.006   3.430   3.430
   55   2HB   SER  11          2HB       SER  11  -3.852   1.770   1.770
   56    HG   SER  11           HG       SER  11  -3.498   2.192   2.192
   57    H    ILE  12           H        ILE  12  -0.033   3.197   3.197
   58    HA   ILE  12           HA       ILE  12   1.444   1.069   1.069
   59    HB   ILE  12           HB       ILE  12   1.959   2.872   2.872
   60   1HG1  ILE  12          1HG1      ILE  12   1.577   4.251   4.251
   61   2HG1  ILE  12          2HG1      ILE  12   3.297   4.162   4.162
   62   1HG2  ILE  12          2HG2      ILE  12   3.870   1.111   1.111
   63   2HG2  ILE  12          3HG2      ILE  12   4.369   2.380   2.380
   64   3HG2  ILE  12          1HG2      ILE  12   3.460   0.983   0.983
   65   1HD1  ILE  12          1HD1      ILE  12   3.355   2.357   2.357
   66   2HD1  ILE  12          2HD1      ILE  12   1.660   2.784   2.784
   67   3HD1  ILE  12          3HD1      ILE  12   2.928   3.986   3.986
   68    H    THR  13           H        THR  13  -0.346   1.586   1.586
   69    HA   THR  13           HA       THR  13   0.589  -0.868  -0.868
   70    HB   THR  13           HB       THR  13  -1.966   0.613   0.613
   71    HG1  THR  13          1HG       THR  13   0.756   1.305   1.305
   72   1HG2  THR  13          2HG2      THR  13  -1.424  -1.511  -1.511
   73   2HG2  THR  13          3HG2      THR  13   0.139  -0.814  -0.814
   74   3HG2  THR  13          1HG2      THR  13  -1.383  -0.101  -0.101
   75    H    LEU  14           H        LEU  14  -2.343   0.081   0.081
   76    HA   LEU  14           HA       LEU  14  -3.405  -2.633  -2.633
   77   1HB   LEU  14          1HB       LEU  14  -3.956  -0.366  -0.366
   78   2HB   LEU  14          2HB       LEU  14  -4.814  -1.901  -1.901
   79    HG   LEU  14           HG       LEU  14  -4.831   0.456   0.456
   80   1HD1  LEU  14          1HD1      LEU  14  -6.331   0.344   0.344
   81   2HD1  LEU  14          2HD1      LEU  14  -7.052  -1.126  -1.126
   82   3HD1  LEU  14          3HD1      LEU  14  -7.217   0.415   0.415
   83   1HD2  LEU  14          2HD2      LEU  14  -5.763  -2.377  -2.377
   84   2HD2  LEU  14          3HD2      LEU  14  -4.614  -1.433  -1.433
   85   3HD2  LEU  14          1HD2      LEU  14  -6.338  -0.970  -0.970
   86    H    CYS  15           H        CYS  15  -1.138  -0.913  -0.913
   87    HA   CYS  15           HA       CYS  15  -0.962  -2.910  -2.910
   88   1HB   CYS  15          1HB       CYS  15   1.281  -1.198  -1.198
   89   2HB   CYS  15          2HB       CYS  15   1.497  -2.322  -2.322
   90    H    ASN  16           H        ASN  16   1.050  -2.535  -2.535
   91    HA   ASN  16           HA       ASN  16   2.321  -5.011  -5.011
   92   1HB   ASN  16          1HB       ASN  16   2.127  -3.490  -3.490
   93   2HB   ASN  16          2HB       ASN  16   3.396  -4.632  -4.632
   94   1HD2  ASN  16          2HD2      ASN  16   4.404  -0.966  -0.966
   95   2HD2  ASN  16          1HD2      ASN  16   3.586  -1.719  -1.719
   96    H    LEU  17           H        LEU  17  -0.860  -4.538  -4.538
   97    HA   LEU  17           HA       LEU  17  -1.047  -6.603  -6.603
   98   1HB   LEU  17          1HB       LEU  17  -2.510  -4.586  -4.586
   99   2HB   LEU  17          2HB       LEU  17  -3.210  -5.380  -5.380
  100    HG   LEU  17           HG       LEU  17  -4.576  -5.344  -5.344
  101   1HD1  LEU  17          3HD1      LEU  17  -4.874  -7.110  -7.110
  102   2HD1  LEU  17          1HD1      LEU  17  -3.902  -8.208  -8.208
  103   3HD1  LEU  17          2HD1      LEU  17  -5.431  -7.559  -7.559
  104   1HD2  LEU  17          1HD2      LEU  17  -2.774  -5.609  -5.609
  105   2HD2  LEU  17          2HD2      LEU  17  -4.129  -6.726  -6.726
  106   3HD2  LEU  17          3HD2      LEU  17  -2.626  -7.328  -7.328
  107    H    TYR  18           H        TYR  18  -1.411  -6.512  -6.512
  108    HA   TYR  18           HA       TYR  18  -1.621  -9.505  -9.505
  109   1HB   TYR  18          1HB       TYR  18  -3.277  -7.455  -7.455
  110   2HB   TYR  18          2HB       TYR  18  -3.261  -9.177  -9.177
  111    HD1  TYR  18          1HD       TYR  18  -3.352 -10.237 -10.237
  112    HD2  TYR  18          2HD       TYR  18  -5.646  -7.284  -7.284
  113    HE1  TYR  18          1HE       TYR  18  -5.319 -10.787 -10.787
  114    HE2  TYR  18          2HE       TYR  18  -7.662  -7.948  -7.948
  115    HH   TYR  18           HH       TYR  18  -8.540  -9.519  -9.519
  116    H    CYS  19           H        CYS  19  -0.022  -6.743  -6.743
  117    HA   CYS  19           HA       CYS  19  -0.123  -7.797  -7.797
  118   1HB   CYS  19          1HB       CYS  19   1.445  -5.585  -5.585
  119   2HB   CYS  19          2HB       CYS  19   1.652  -6.069  -6.069
  120    H    GLY  20           H        GLY  20   2.163  -8.435  -8.435
  121   1HA   GLY  20          1HA       GLY  20   4.211  -9.430  -9.430
  122   2HA   GLY  20          2HA       GLY  20   3.528 -10.507 -10.507
  123    HA   PRO  21           HA       PRO  21   7.012  -8.802  -8.802
  124   1HB   PRO  21          1HB       PRO  21   6.527  -9.908  -9.908
  125   2HB   PRO  21          2HB       PRO  21   7.127 -10.869 -10.869
  126   1HG   PRO  21          1HG       PRO  21   4.263 -10.604 -10.604
  127   2HG   PRO  21          2HG       PRO  21   5.138 -12.101 -12.101
  128   1HD   PRO  21          1HD       PRO  21   3.484 -10.919 -10.919
  129   2HD   PRO  21          2HD       PRO  21   5.000 -11.685 -11.685
  130    H    LEU  22           H        LEU  22   3.602  -8.630  -8.630
  131    HA   LEU  22           HA       LEU  22   4.038  -6.508  -6.508
  132   1HB   LEU  22          1HB       LEU  22   1.492  -7.324  -7.324
  133   2HB   LEU  22          2HB       LEU  22   1.624  -6.355  -6.355
  134    HG   LEU  22           HG       LEU  22   2.322  -9.308  -9.308
  135   1HD1  LEU  22          1HD1      LEU  22  -0.088  -8.764  -8.764
  136   2HD1  LEU  22          2HD1      LEU  22   0.106  -7.890  -7.890
  137   3HD1  LEU  22          3HD1      LEU  22   0.383  -9.639  -9.639
  138   1HD2  LEU  22          2HD2      LEU  22   2.509  -7.473  -7.473
  139   2HD2  LEU  22          3HD2      LEU  22   3.857  -8.324  -8.324
  140   3HD2  LEU  22          1HD2      LEU  22   2.609  -9.243  -9.243
  141    H    ILE  23           H        ILE  23   4.352  -6.482  -6.482
  142    HA   ILE  23           HA       ILE  23   3.143  -4.021  -4.021
  143    HB   ILE  23           HB       ILE  23   5.737  -5.347  -5.347
  144   1HG1  ILE  23          1HG1      ILE  23   3.090  -4.819  -4.819
  145   2HG1  ILE  23          2HG1      ILE  23   3.442  -6.325  -6.325
  146   1HG2  ILE  23          1HG2      ILE  23   4.401  -2.794  -2.794
  147   2HG2  ILE  23          2HG2      ILE  23   5.649  -3.676  -3.676
  148   3HG2  ILE  23          3HG2      ILE  23   6.045  -2.968  -2.968
  149   1HD1  ILE  23          1HD1      ILE  23   5.354  -6.744  -6.744
  150   2HD1  ILE  23          2HD1      ILE  23   4.863  -5.342  -5.342
  151   3HD1  ILE  23          3HD1      ILE  23   3.785  -6.732  -6.732
  152    H    GLU  24           H        GLU  24   6.021  -4.798  -4.798
  153    HA   GLU  24           HA       GLU  24   6.935  -2.100  -2.100
  154   1HB   GLU  24          1HB       GLU  24   8.304  -4.109  -4.109
  155   2HB   GLU  24          2HB       GLU  24   7.249  -4.464  -4.464
  156   1HG   GLU  24          1HG       GLU  24   7.883  -2.329  -2.329
  157   2HG   GLU  24          2HG       GLU  24   8.849  -1.906  -1.906
  158    H    ILE  25           H        ILE  25   5.046  -3.787  -3.787
  159    HA   ILE  25           HA       ILE  25   4.653  -1.456  -1.456
  160    HB   ILE  25           HB       ILE  25   2.966  -3.956  -3.956
  161   1HG1  ILE  25          1HG1      ILE  25   3.657  -4.650  -4.650
  162   2HG1  ILE  25          2HG1      ILE  25   4.628  -3.187  -3.187
  163   1HG2  ILE  25          2HG2      ILE  25   2.494  -1.809  -1.809
  164   2HG2  ILE  25          3HG2      ILE  25   1.748  -3.413  -3.413
  165   3HG2  ILE  25          1HG2      ILE  25   1.379  -2.296  -2.296
  166   1HD1  ILE  25          3HD1      ILE  25   5.121  -5.342  -5.342
  167   2HD1  ILE  25          1HD1      ILE  25   5.910  -5.254  -5.254
  168   3HD1  ILE  25          2HD1      ILE  25   6.212  -3.982  -3.982
  169    H    CYS  26           H        CYS  26   3.097  -2.554  -2.554
  170    HA   CYS  26           HA       CYS  26   0.783  -0.838  -0.838
  171   1HB   CYS  26          1HB       CYS  26   1.036  -2.931  -2.931
  172   2HB   CYS  26          2HB       CYS  26   2.027  -2.075  -2.075
  173    H    GLU  27           H        GLU  27   3.959  -0.733  -0.733
  174    HA   GLU  27           HA       GLU  27   3.517   1.800   1.800
  175   1HB   GLU  27          1HB       GLU  27   5.331   0.049   0.049
  176   2HB   GLU  27          2HB       GLU  27   6.189   0.644   0.644
  177   1HG   GLU  27          1HG       GLU  27   6.087   2.958   2.958
  178   2HG   GLU  27          2HG       GLU  27   5.384   2.217   2.217
  179    H    LEU  28           H        LEU  28   4.923   0.748   0.748
  180    HA   LEU  28           HA       LEU  28   5.930   3.261   3.261
  181   1HB   LEU  28          1HB       LEU  28   5.542   0.521   0.521
  182   2HB   LEU  28          2HB       LEU  28   5.408   1.703   1.703
  183    HG   LEU  28           HG       LEU  28   7.650   0.775   0.775
  184   1HD1  LEU  28          1HD1      LEU  28   7.350   3.108   3.108
  185   2HD1  LEU  28          2HD1      LEU  28   7.669   3.744   3.744
  186   3HD1  LEU  28          3HD1      LEU  28   8.930   2.844   2.844
  187   1HD2  LEU  28          2HD2      LEU  28   7.694   0.384   0.384
  188   2HD2  LEU  28          3HD2      LEU  28   9.109   1.297   1.297
  189   3HD2  LEU  28          1HD2      LEU  28   7.796   2.128   2.128
  190    H    THR  29           H        THR  29   2.980   1.586   1.586
  191    HA   THR  29           HA       THR  29   1.790   3.629   3.629
  192    HB   THR  29           HB       THR  29   0.655   1.569   1.569
  193    HG1  THR  29          1HG       THR  29   1.549   0.726   0.726
  194   1HG2  THR  29          1HG2      THR  29  -0.878   3.577   3.577
  195   2HG2  THR  29          2HG2      THR  29  -1.581   2.047   2.047
  196   3HG2  THR  29          3HG2      THR  29  -1.017   3.249   3.249
  197    H    VAL  30           H        VAL  30   1.544   3.071   3.071
  198    HA   VAL  30           HA       VAL  30  -0.181   5.267   5.267
  199    HB   VAL  30           HB       VAL  30   1.694   3.578   3.578
  200   1HG1  VAL  30          3HG1      VAL  30   1.235   5.818   5.818
  201   2HG1  VAL  30          1HG1      VAL  30  -0.474   5.294   5.294
  202   3HG1  VAL  30          2HG1      VAL  30   0.743   4.350   4.350
  203   1HG2  VAL  30          1HG2      VAL  30  -0.331   2.482   2.482
  204   2HG2  VAL  30          2HG2      VAL  30  -0.498   2.565   2.565
  205   3HG2  VAL  30          3HG2      VAL  30  -1.333   3.719   3.719
  206    H    MET  31           H        MET  31   3.398   5.076   5.076
  207    HA   MET  31           HA       MET  31   3.888   7.774   7.774
  208   1HB   MET  31          1HB       MET  31   5.358   5.499   5.499
  209   2HB   MET  31          2HB       MET  31   5.803   6.547   6.547
  210   1HG   MET  31          1HG       MET  31   6.434   8.296   8.296
  211   2HG   MET  31          2HG       MET  31   5.959   7.253   7.253
  212   1HE   MET  31          3HE       MET  31   7.206   5.126   5.126
  213   2HE   MET  31          1HE       MET  31   7.093   4.358   4.358
  214   3HE   MET  31          2HE       MET  31   8.651   4.457   4.457
  215    H    GLN  32           H        GLN  32   3.243   6.214   6.214
  216    HA   GLN  32           HA       GLN  32   3.974   8.432   8.432
  217   1HB   GLN  32          1HB       GLN  32   3.415   5.793   5.793
  218   2HB   GLN  32          2HB       GLN  32   1.924   6.559   6.559
  219   1HG   GLN  32          1HG       GLN  32   3.205   6.620   6.620
  220   2HG   GLN  32          2HG       GLN  32   3.572   8.217   8.217
  221   1HE2  GLN  32          2HE2      GLN  32   6.964   7.039   7.039
  222   2HE2  GLN  32          1HE2      GLN  32   5.737   8.131   8.131
  223    H    ASN  33           H        ASN  33   0.865   7.427   7.427
  224    HA   ASN  33           HA       ASN  33  -0.467   9.807   9.807
  225   1HB   ASN  33          1HB       ASN  33  -2.344   8.667   8.667
  226   2HB   ASN  33          2HB       ASN  33  -2.261   8.554   8.554
  227   1HD2  ASN  33          2HD2      ASN  33  -1.982   5.222   5.222
  228   2HD2  ASN  33          1HD2      ASN  33  -2.153   6.742   6.742
  229    H    CYS  34           H        CYS  34  -0.266   8.417   8.417
  230    HA   CYS  34           HA       CYS  34  -0.930  11.103  11.103
  231   1HB   CYS  34          1HB       CYS  34  -1.827   9.988   9.988
  232   2HB   CYS  34          2HB       CYS  34  -2.439   9.076   9.076
  233    H    GLU  35           H        GLU  35   0.112  11.130  11.130
  234    HA   GLU  35           HA       GLU  35   3.020  10.566  10.566
  235   1HB   GLU  35          1HB       GLU  35   1.827  12.957  12.957
  236   2HB   GLU  35          2HB       GLU  35   2.130  12.735  12.735
  237   1HG   GLU  35          1HG       GLU  35   4.232  12.359  12.359
  238   2HG   GLU  35          2HG       GLU  35   3.932  13.896  13.896
  239    HA   PRO  36           HA       PRO  36   1.674   8.037   8.037
  240   1HB   PRO  36          1HB       PRO  36   3.513   6.015   6.015
  241   2HB   PRO  36          2HB       PRO  36   1.997   6.138   6.138
  242   1HG   PRO  36          1HG       PRO  36   4.814   6.969   6.969
  243   2HG   PRO  36          2HG       PRO  36   3.665   6.018   6.018
  244   1HD   PRO  36          1HD       PRO  36   4.046   8.717   8.717
  245   2HD   PRO  36          2HD       PRO  36   2.444   7.972   7.972
  246    HA   PRO  37           HA       PRO  37   2.756   6.198   6.198
  247   1HB   PRO  37          1HB       PRO  37   2.668   6.530   6.530
  248   2HB   PRO  37          2HB       PRO  37   4.108   5.894   5.894
  249   1HG   PRO  37          1HG       PRO  37   3.562   8.753   8.753
  250   2HG   PRO  37          2HG       PRO  37   5.046   7.800   7.800
  251   1HD   PRO  37          1HD       PRO  37   4.864   9.571   9.571
  252   2HD   PRO  37          2HD       PRO  37   5.709   8.022   8.022
  253    H    PHE  38           H        PHE  38   0.498   5.940   5.940
  254    HA   PHE  38           HA       PHE  38  -1.142   8.153   8.153
  255   1HB   PHE  38          1HB       PHE  38  -1.668   6.007   6.007
  256   2HB   PHE  38          2HB       PHE  38  -1.384   5.325   5.325
  257    HD1  PHE  38          1HD       PHE  38  -3.621   7.630   7.630
  258    HD2  PHE  38          2HD       PHE  38  -3.168   4.626   4.626
  259    HE1  PHE  38          1HE       PHE  38  -6.113   7.629   7.629
  260    HE2  PHE  38          2HE       PHE  38  -5.644   4.618   4.618
  261   1HZ   PHE  38           HZ       PHE  38  -7.111   6.105   6.105
  262    H    SER  39           H        SER  39  -2.758   9.102   9.102
  263    HA   SER  39           HA       SER  39  -2.038   9.535   9.535
  264   1HB   SER  39          1HB       SER  39  -4.386  10.529  10.529
  265   2HB   SER  39          2HB       SER  39  -3.839  11.151  11.151
  266    HG   SER  39           HG       SER  39  -3.112  12.050  12.050

  Start of MODEL   16
    1    HA   ASP   1           HA       ASP   1  -8.489  -9.349  -9.349
    2   1HB   ASP   1          1HB       ASP   1  -5.768  -9.927  -9.927
    3   2HB   ASP   1          2HB       ASP   1  -5.679  -9.349  -9.349
    4    H    GLU   2           H        GLU   2  -7.494  -8.609  -8.609
    5    HA   GLU   2           HA       GLU   2  -8.076  -5.838  -5.838
    6   1HB   GLU   2          1HB       GLU   2  -6.761  -7.588  -7.588
    7   2HB   GLU   2          2HB       GLU   2  -7.500  -5.991  -5.991
    8   1HG   GLU   2          1HG       GLU   2  -9.305  -7.227  -7.227
    9   2HG   GLU   2          2HG       GLU   2  -9.609  -7.256  -7.256
   10    H    CYS   3           H        CYS   3  -5.042  -7.452  -7.452
   11    HA   CYS   3           HA       CYS   3  -3.222  -5.372  -5.372
   12   1HB   CYS   3          1HB       CYS   3  -2.374  -7.512  -7.512
   13   2HB   CYS   3          2HB       CYS   3  -3.188  -7.345  -7.345
   14    H    ALA   4           H        ALA   4  -5.191  -5.839  -5.839
   15    HA   ALA   4           HA       ALA   4  -4.186  -3.522  -3.522
   16   1HB   ALA   4          3HB       ALA   4  -6.877  -4.942  -4.942
   17   2HB   ALA   4          1HB       ALA   4  -6.248  -3.723  -3.723
   18   3HB   ALA   4          2HB       ALA   4  -5.407  -5.267  -5.267
   19    H    ASN   5           H        ASN   5  -7.034  -4.107  -4.107
   20    HA   ASN   5           HA       ASN   5  -8.169  -1.519  -1.519
   21   1HB   ASN   5          1HB       ASN   5  -9.305  -3.459  -3.459
   22   2HB   ASN   5          2HB       ASN   5  -8.023  -3.659  -3.659
   23   1HD2  ASN   5          2HD2      ASN   5 -10.878  -2.113  -2.113
   24   2HD2  ASN   5          1HD2      ASN   5 -10.869  -3.442  -3.442
   25    H    ALA   6           H        ALA   6  -5.585  -2.887  -2.887
   26    HA   ALA   6           HA       ALA   6  -5.323  -0.648  -0.648
   27   1HB   ALA   6          1HB       ALA   6  -4.159  -2.900  -2.900
   28   2HB   ALA   6          2HB       ALA   6  -3.034  -2.438  -2.438
   29   3HB   ALA   6          3HB       ALA   6  -3.108  -1.463  -1.463
   30    H    ALA   7           H        ALA   7  -3.708  -1.283  -1.283
   31    HA   ALA   7           HA       ALA   7  -2.225   1.180   1.180
   32   1HB   ALA   7          1HB       ALA   7  -1.665  -0.690  -0.690
   33   2HB   ALA   7          2HB       ALA   7  -3.198  -0.437  -0.437
   34   3HB   ALA   7          3HB       ALA   7  -1.953   0.826   0.826
   35    H    ALA   8           H        ALA   8  -5.505   0.300   0.300
   36    HA   ALA   8           HA       ALA   8  -6.040   2.802   2.802
   37   1HB   ALA   8          1HB       ALA   8  -7.381   0.756   0.756
   38   2HB   ALA   8          2HB       ALA   8  -8.037   0.879   0.879
   39   3HB   ALA   8          3HB       ALA   8  -8.388   2.141   2.141
   40    H    GLN   9           H        GLN   9  -6.457   1.689   1.689
   41    HA   GLN   9           HA       GLN   9  -7.568   4.228   4.228
   42   1HB   GLN   9          1HB       GLN   9  -8.072   1.786   1.786
   43   2HB   GLN   9          2HB       GLN   9  -6.526   1.901   1.901
   44   1HG   GLN   9          1HG       GLN   9  -7.462   3.984   3.984
   45   2HG   GLN   9          2HG       GLN   9  -8.989   3.693   3.693
   46   1HE2  GLN   9          2HE2      GLN   9  -8.327   1.842   1.842
   47   2HE2  GLN   9          1HE2      GLN   9  -7.440   3.236   3.236
   48    H    CYS  10           H        CYS  10  -4.588   3.296   3.296
   49    HA   CYS  10           HA       CYS  10  -2.493   3.597   3.597
   50   1HB   CYS  10          1HB       CYS  10  -2.015   6.214   6.214
   51   2HB   CYS  10          2HB       CYS  10  -2.520   5.592   5.592
   52    H    SER  11           H        SER  11  -3.253   2.262   2.262
   53    HA   SER  11           HA       SER  11  -2.044   3.613   3.613
   54   1HB   SER  11          1HB       SER  11  -4.467   3.031   3.031
   55   2HB   SER  11          2HB       SER  11  -4.109   1.372   1.372
   56    HG   SER  11           HG       SER  11  -3.913   2.437   2.437
   57    H    ILE  12           H        ILE  12  -0.178   3.031   3.031
   58    HA   ILE  12           HA       ILE  12   1.171   0.776   0.776
   59    HB   ILE  12           HB       ILE  12   1.875   2.543   2.543
   60   1HG1  ILE  12          1HG1      ILE  12   1.454   3.954   3.954
   61   2HG1  ILE  12          2HG1      ILE  12   3.167   3.778   3.778
   62   1HG2  ILE  12          3HG2      ILE  12   3.623   0.744   0.744
   63   2HG2  ILE  12          1HG2      ILE  12   4.202   1.931   1.931
   64   3HG2  ILE  12          2HG2      ILE  12   3.251   0.545   0.545
   65   1HD1  ILE  12          3HD1      ILE  12   3.059   1.937   1.937
   66   2HD1  ILE  12          1HD1      ILE  12   1.431   2.555   2.555
   67   3HD1  ILE  12          2HD1      ILE  12   2.832   3.612   3.612
   68    H    THR  13           H        THR  13  -0.744   1.351   1.351
   69    HA   THR  13           HA       THR  13   0.308  -0.954  -0.954
   70    HB   THR  13           HB       THR  13  -2.394   0.381   0.381
   71    HG1  THR  13          1HG       THR  13   0.236   1.220   1.220
   72   1HG2  THR  13          1HG2      THR  13  -1.649  -1.694  -1.694
   73   2HG2  THR  13          2HG2      THR  13  -0.382  -0.670  -0.670
   74   3HG2  THR  13          3HG2      THR  13  -2.092  -0.261  -0.261
   75    H    LEU  14           H        LEU  14  -2.660  -0.311  -0.311
   76    HA   LEU  14           HA       LEU  14  -3.471  -3.067  -3.067
   77   1HB   LEU  14          1HB       LEU  14  -4.243  -0.802  -0.802
   78   2HB   LEU  14          2HB       LEU  14  -4.835  -2.419  -2.419
   79    HG   LEU  14           HG       LEU  14  -5.072  -1.009  -1.009
   80   1HD1  LEU  14          3HD1      LEU  14  -6.834  -0.754  -0.754
   81   2HD1  LEU  14          1HD1      LEU  14  -7.360  -0.341  -0.341
   82   3HD1  LEU  14          2HD1      LEU  14  -6.028   0.558   0.558
   83   1HD2  LEU  14          2HD2      LEU  14  -5.530  -3.459  -3.459
   84   2HD2  LEU  14          3HD2      LEU  14  -6.976  -2.504  -2.504
   85   3HD2  LEU  14          1HD2      LEU  14  -6.705  -3.031  -3.031
   86    H    CYS  15           H        CYS  15  -1.319  -1.228  -1.228
   87    HA   CYS  15           HA       CYS  15  -0.926  -3.156  -3.156
   88   1HB   CYS  15          1HB       CYS  15   1.146  -1.315  -1.315
   89   2HB   CYS  15          2HB       CYS  15   1.468  -2.347  -2.347
   90    H    ASN  16           H        ASN  16   0.889  -2.662  -2.662
   91    HA   ASN  16           HA       ASN  16   2.311  -5.110  -5.110
   92   1HB   ASN  16          1HB       ASN  16   1.819  -3.648  -3.648
   93   2HB   ASN  16          2HB       ASN  16   3.190  -4.719  -4.719
   94   1HD2  ASN  16          2HD2      ASN  16   4.333  -1.187  -1.187
   95   2HD2  ASN  16          1HD2      ASN  16   3.600  -2.333  -2.333
   96    H    LEU  17           H        LEU  17  -0.867  -4.521  -4.521
   97    HA   LEU  17           HA       LEU  17  -0.939  -6.925  -6.925
   98   1HB   LEU  17          1HB       LEU  17  -2.615  -4.982  -4.982
   99   2HB   LEU  17          2HB       LEU  17  -3.282  -5.752  -5.752
  100    HG   LEU  17           HG       LEU  17  -4.550  -6.251  -6.251
  101   1HD1  LEU  17          2HD1      LEU  17  -4.070  -8.138  -8.138
  102   2HD1  LEU  17          3HD1      LEU  17  -3.114  -8.884  -8.884
  103   3HD1  LEU  17          1HD1      LEU  17  -4.834  -8.576  -8.576
  104   1HD2  LEU  17          2HD2      LEU  17  -2.749  -5.974  -5.974
  105   2HD2  LEU  17          3HD2      LEU  17  -3.739  -7.423  -7.423
  106   3HD2  LEU  17          1HD2      LEU  17  -2.122  -7.583  -7.583
  107    H    TYR  18           H        TYR  18  -1.676  -6.250  -6.250
  108    HA   TYR  18           HA       TYR  18  -2.196  -9.168  -9.168
  109   1HB   TYR  18          1HB       TYR  18  -3.087  -6.713  -6.713
  110   2HB   TYR  18          2HB       TYR  18  -3.500  -8.373  -8.373
  111    HD1  TYR  18          1HD       TYR  18  -4.742  -9.832  -9.832
  112    HD2  TYR  18          2HD       TYR  18  -4.496  -5.531  -5.531
  113    HE1  TYR  18          1HE       TYR  18  -6.656  -9.812  -9.812
  114    HE2  TYR  18          2HE       TYR  18  -6.411  -5.519  -5.519
  115    HH   TYR  18           HH       TYR  18  -7.955  -6.764  -6.764
  116    H    CYS  19           H        CYS  19   0.185  -6.772  -6.772
  117    HA   CYS  19           HA       CYS  19   0.008  -7.938  -7.938
  118   1HB   CYS  19          1HB       CYS  19   1.557  -5.610  -5.610
  119   2HB   CYS  19          2HB       CYS  19   1.604  -6.166  -6.166
  120    H    GLY  20           H        GLY  20   1.870  -9.025  -9.025
  121   1HA   GLY  20          1HA       GLY  20   3.805 -10.228 -10.228
  122   2HA   GLY  20          2HA       GLY  20   3.321 -10.835 -10.835
  123    HA   PRO  21           HA       PRO  21   7.249  -8.672  -8.672
  124   1HB   PRO  21          1HB       PRO  21   7.402  -9.310  -9.310
  125   2HB   PRO  21          2HB       PRO  21   7.691 -10.526 -10.526
  126   1HG   PRO  21          1HG       PRO  21   5.132 -10.045 -10.045
  127   2HG   PRO  21          2HG       PRO  21   5.939 -11.590 -11.590
  128   1HD   PRO  21          1HD       PRO  21   3.865 -10.773 -10.773
  129   2HD   PRO  21          2HD       PRO  21   5.241 -11.661 -11.661
  130    H    LEU  22           H        LEU  22   4.147  -8.448  -8.448
  131    HA   LEU  22           HA       LEU  22   4.850  -6.142  -6.142
  132   1HB   LEU  22          1HB       LEU  22   2.064  -7.148  -7.148
  133   2HB   LEU  22          2HB       LEU  22   2.517  -6.066  -6.066
  134    HG   LEU  22           HG       LEU  22   3.176  -9.028  -9.028
  135   1HD1  LEU  22          3HD1      LEU  22   0.885  -8.461  -8.461
  136   2HD1  LEU  22          1HD1      LEU  22   1.527  -7.436  -7.436
  137   3HD1  LEU  22          2HD1      LEU  22   1.805  -9.187  -9.187
  138   1HD2  LEU  22          3HD2      LEU  22   4.089  -7.034  -7.034
  139   2HD2  LEU  22          1HD2      LEU  22   5.135  -7.938  -7.938
  140   3HD2  LEU  22          2HD2      LEU  22   4.228  -8.801  -8.801
  141    H    ILE  23           H        ILE  23   4.384  -6.353  -6.353
  142    HA   ILE  23           HA       ILE  23   3.224  -3.892  -3.892
  143    HB   ILE  23           HB       ILE  23   5.751  -5.318  -5.318
  144   1HG1  ILE  23          1HG1      ILE  23   3.017  -4.950  -4.950
  145   2HG1  ILE  23          2HG1      ILE  23   3.546  -6.405  -6.405
  146   1HG2  ILE  23          1HG2      ILE  23   4.462  -2.761  -2.761
  147   2HG2  ILE  23          2HG2      ILE  23   5.596  -3.730  -3.730
  148   3HG2  ILE  23          3HG2      ILE  23   6.142  -2.979  -2.979
  149   1HD1  ILE  23          1HD1      ILE  23   5.480  -6.558  -6.558
  150   2HD1  ILE  23          2HD1      ILE  23   4.615  -5.374  -5.374
  151   3HD1  ILE  23          3HD1      ILE  23   3.858  -6.930  -6.930
  152    H    GLU  24           H        GLU  24   6.248  -4.649  -4.649
  153    HA   GLU  24           HA       GLU  24   7.252  -1.944  -1.944
  154   1HB   GLU  24          1HB       GLU  24   8.681  -3.960  -3.960
  155   2HB   GLU  24          2HB       GLU  24   7.707  -4.347  -4.347
  156   1HG   GLU  24          1HG       GLU  24   8.523  -2.253  -2.253
  157   2HG   GLU  24          2HG       GLU  24   9.437  -1.883  -1.883
  158    H    ILE  25           H        ILE  25   5.758  -3.694  -3.694
  159    HA   ILE  25           HA       ILE  25   5.445  -1.358  -1.358
  160    HB   ILE  25           HB       ILE  25   3.795  -3.911  -3.911
  161   1HG1  ILE  25          1HG1      ILE  25   6.077  -4.397  -4.397
  162   2HG1  ILE  25          2HG1      ILE  25   5.051  -4.518  -4.518
  163   1HG2  ILE  25          3HG2      ILE  25   3.673  -1.653  -1.653
  164   2HG2  ILE  25          1HG2      ILE  25   3.043  -3.288  -3.288
  165   3HG2  ILE  25          2HG2      ILE  25   2.366  -2.304  -2.304
  166   1HD1  ILE  25          3HD1      ILE  25   5.830  -2.190  -2.190
  167   2HD1  ILE  25          1HD1      ILE  25   6.988  -2.254  -2.254
  168   3HD1  ILE  25          2HD1      ILE  25   7.106  -3.411  -3.411
  169    H    CYS  26           H        CYS  26   3.594  -2.471  -2.471
  170    HA   CYS  26           HA       CYS  26   1.291  -0.836  -0.836
  171   1HB   CYS  26          1HB       CYS  26   1.485  -2.886  -2.886
  172   2HB   CYS  26          2HB       CYS  26   2.246  -1.890  -1.890
  173    H    GLU  27           H        GLU  27   4.266  -0.558  -0.558
  174    HA   GLU  27           HA       GLU  27   3.593   1.999   1.999
  175   1HB   GLU  27          1HB       GLU  27   5.440   0.333   0.333
  176   2HB   GLU  27          2HB       GLU  27   6.436   1.040   1.040
  177   1HG   GLU  27          1HG       GLU  27   5.677   3.334   3.334
  178   2HG   GLU  27          2HG       GLU  27   5.212   2.346   2.346
  179    H    LEU  28           H        LEU  28   5.313   0.892   0.892
  180    HA   LEU  28           HA       LEU  28   6.331   3.402   3.402
  181   1HB   LEU  28          1HB       LEU  28   5.909   0.631   0.631
  182   2HB   LEU  28          2HB       LEU  28   5.959   1.813   1.813
  183    HG   LEU  28           HG       LEU  28   8.116   0.728   0.728
  184   1HD1  LEU  28          2HD1      LEU  28   8.003   3.073   3.073
  185   2HD1  LEU  28          3HD1      LEU  28   8.275   3.645   3.645
  186   3HD1  LEU  28          1HD1      LEU  28   9.509   2.674   2.674
  187   1HD2  LEU  28          1HD2      LEU  28   8.080   2.027   2.027
  188   2HD2  LEU  28          2HD2      LEU  28   8.076   0.293   0.293
  189   3HD2  LEU  28          3HD2      LEU  28   9.483   1.271   1.271
  190    H    THR  29           H        THR  29   3.435   1.605   1.605
  191    HA   THR  29           HA       THR  29   2.410   3.547   3.547
  192    HB   THR  29           HB       THR  29   0.975   1.458   1.458
  193    HG1  THR  29          1HG       THR  29   2.456   0.476   0.476
  194   1HG2  THR  29          2HG2      THR  29   0.135   2.854   2.854
  195   2HG2  THR  29          3HG2      THR  29  -0.723   1.511   1.511
  196   3HG2  THR  29          1HG2      THR  29  -0.622   3.075   3.075
  197    H    VAL  30           H        VAL  30   2.026   3.102   3.102
  198    HA   VAL  30           HA       VAL  30   0.075   5.175   5.175
  199    HB   VAL  30           HB       VAL  30   1.886   3.654   3.654
  200   1HG1  VAL  30          2HG1      VAL  30  -0.092   5.870   5.870
  201   2HG1  VAL  30          3HG1      VAL  30   0.370   4.684   4.684
  202   3HG1  VAL  30          1HG1      VAL  30   1.580   5.765   5.765
  203   1HG2  VAL  30          3HG2      VAL  30  -1.078   3.693   3.693
  204   2HG2  VAL  30          1HG2      VAL  30   0.007   2.396   2.396
  205   3HG2  VAL  30          2HG2      VAL  30  -0.365   2.701   2.701
  206    H    MET  31           H        MET  31   3.683   5.195   5.195
  207    HA   MET  31           HA       MET  31   3.996   7.873   7.873
  208   1HB   MET  31          1HB       MET  31   5.624   5.748   5.748
  209   2HB   MET  31          2HB       MET  31   5.778   6.700   6.700
  210   1HG   MET  31          1HG       MET  31   7.523   7.281   7.281
  211   2HG   MET  31          2HG       MET  31   6.428   8.665   8.665
  212   1HE   MET  31          2HE       MET  31   7.594   5.770   5.770
  213   2HE   MET  31          3HE       MET  31   6.779   6.113   6.113
  214   3HE   MET  31          1HE       MET  31   5.835   5.535   5.535
  215    H    GLN  32           H        GLN  32   3.286   6.289   6.289
  216    HA   GLN  32           HA       GLN  32   3.476   8.657   8.657
  217   1HB   GLN  32          1HB       GLN  32   3.435   5.829   5.829
  218   2HB   GLN  32          2HB       GLN  32   2.019   6.403   6.403
  219   1HG   GLN  32          1HG       GLN  32   3.840   6.378   6.378
  220   2HG   GLN  32          2HG       GLN  32   3.561   8.086   8.086
  221   1HE2  GLN  32          2HE2      GLN  32   6.783   8.541   8.541
  222   2HE2  GLN  32          1HE2      GLN  32   5.224   9.263   9.263
  223    H    ASN  33           H        ASN  33   0.990   7.921   7.921
  224    HA   ASN  33           HA       ASN  33  -0.732   9.741   9.741
  225   1HB   ASN  33          1HB       ASN  33  -2.537   8.437   8.437
  226   2HB   ASN  33          2HB       ASN  33  -1.252   7.262   7.262
  227   1HD2  ASN  33          2HD2      ASN  33  -2.216   5.188   5.188
  228   2HD2  ASN  33          1HD2      ASN  33  -0.827   5.677   5.677
  229    H    CYS  34           H        CYS  34   0.355   8.825   8.825
  230    HA   CYS  34           HA       CYS  34  -1.471  10.781  10.781
  231   1HB   CYS  34          1HB       CYS  34  -1.142   7.901   7.901
  232   2HB   CYS  34          2HB       CYS  34  -1.913   9.139   9.139
  233    H    GLU  35           H        GLU  35  -0.643  10.951  10.951
  234    HA   GLU  35           HA       GLU  35   2.336  10.698  10.698
  235   1HB   GLU  35          1HB       GLU  35   1.431  12.872  12.872
  236   2HB   GLU  35          2HB       GLU  35   0.319  12.043  12.043
  237   1HG   GLU  35          1HG       GLU  35   2.247  11.145  11.145
  238   2HG   GLU  35          2HG       GLU  35   3.342  12.044  12.044
  239    HA   PRO  36           HA       PRO  36   1.287   7.370   7.370
  240   1HB   PRO  36          1HB       PRO  36   3.331   5.689   5.689
  241   2HB   PRO  36          2HB       PRO  36   1.892   5.760   5.760
  242   1HG   PRO  36          1HG       PRO  36   4.639   7.056   7.056
  243   2HG   PRO  36          2HG       PRO  36   3.747   6.152   6.152
  244   1HD   PRO  36          1HD       PRO  36   3.761   8.940   8.940
  245   2HD   PRO  36          2HD       PRO  36   2.436   8.033   8.033
  246    HA   PRO  37           HA       PRO  37   2.524   5.600   5.600
  247   1HB   PRO  37          1HB       PRO  37   2.697   5.658   5.658
  248   2HB   PRO  37          2HB       PRO  37   4.022   5.104   5.104
  249   1HG   PRO  37          1HG       PRO  37   3.684   7.848   7.848
  250   2HG   PRO  37          2HG       PRO  37   5.161   6.833   6.833
  251   1HD   PRO  37          1HD       PRO  37   4.796   8.826   8.826
  252   2HD   PRO  37          2HD       PRO  37   5.508   7.278   7.278
  253    H    PHE  38           H        PHE  38   0.279   5.415   5.415
  254    HA   PHE  38           HA       PHE  38  -1.373   7.668   7.668
  255   1HB   PHE  38          1HB       PHE  38  -1.764   5.648   5.648
  256   2HB   PHE  38          2HB       PHE  38  -1.586   4.667   4.667
  257    HD1  PHE  38          1HD       PHE  38  -3.250   4.599   4.599
  258    HD2  PHE  38          2HD       PHE  38  -3.842   6.272   6.272
  259    HE1  PHE  38          1HE       PHE  38  -5.745   4.316   4.316
  260    HE2  PHE  38          2HE       PHE  38  -6.315   6.051   6.051
  261   1HZ   PHE  38           HZ       PHE  38  -7.273   5.170   5.170
  262    H    SER  39           H        SER  39  -1.985   8.833   8.833
  263    HA   SER  39           HA       SER  39  -1.135   8.037   8.037
  264   1HB   SER  39          1HB       SER  39  -3.201  10.097  10.097
  265   2HB   SER  39          2HB       SER  39  -1.559  10.202  10.202
  266    HG   SER  39           HG       SER  39  -0.828  10.541  10.541

  Start of MODEL   17
    1    HA   ASP   1           HA       ASP   1  -8.248  -9.831  -9.831
    2   1HB   ASP   1          1HB       ASP   1  -5.876  -9.066  -9.066
    3   2HB   ASP   1          2HB       ASP   1  -5.642  -8.613  -8.613
    4    H    GLU   2           H        GLU   2  -6.801  -8.744  -8.744
    5    HA   GLU   2           HA       GLU   2  -8.226  -6.279  -6.279
    6   1HB   GLU   2          1HB       GLU   2  -8.035  -8.391  -8.391
    7   2HB   GLU   2          2HB       GLU   2  -6.517  -7.648  -7.648
    8   1HG   GLU   2          1HG       GLU   2  -8.644  -5.641  -5.641
    9   2HG   GLU   2          2HG       GLU   2  -9.119  -6.984  -6.984
   10    H    CYS   3           H        CYS   3  -4.952  -7.559  -7.559
   11    HA   CYS   3           HA       CYS   3  -3.497  -5.488  -5.488
   12   1HB   CYS   3          1HB       CYS   3  -2.384  -7.462  -7.462
   13   2HB   CYS   3          2HB       CYS   3  -2.962  -7.351  -7.351
   14    H    ALA   4           H        ALA   4  -4.542  -5.973  -5.973
   15    HA   ALA   4           HA       ALA   4  -3.679  -3.587  -3.587
   16   1HB   ALA   4          1HB       ALA   4  -4.814  -5.664  -5.664
   17   2HB   ALA   4          2HB       ALA   4  -6.337  -4.794  -4.794
   18   3HB   ALA   4          3HB       ALA   4  -5.084  -4.061  -4.061
   19    H    ASN   5           H        ASN   5  -6.709  -4.319  -4.319
   20    HA   ASN   5           HA       ASN   5  -7.823  -1.793  -1.793
   21   1HB   ASN   5          1HB       ASN   5  -9.282  -3.561  -3.561
   22   2HB   ASN   5          2HB       ASN   5  -8.224  -4.004  -4.004
   23   1HD2  ASN   5          2HD2      ASN   5  -9.670  -1.926  -1.926
   24   2HD2  ASN   5          1HD2      ASN   5  -8.602  -3.235  -3.235
   25    H    ALA   6           H        ALA   6  -5.534  -3.228  -3.228
   26    HA   ALA   6           HA       ALA   6  -5.677  -1.300  -1.300
   27   1HB   ALA   6          1HB       ALA   6  -4.296  -3.651  -3.651
   28   2HB   ALA   6          2HB       ALA   6  -3.006  -2.429  -2.429
   29   3HB   ALA   6          3HB       ALA   6  -4.053  -2.577  -2.577
   30    H    ALA   7           H        ALA   7  -3.559  -1.535  -1.535
   31    HA   ALA   7           HA       ALA   7  -2.144   0.822   0.822
   32   1HB   ALA   7          3HB       ALA   7  -2.328  -1.210  -1.210
   33   2HB   ALA   7          1HB       ALA   7  -2.478   0.358   0.358
   34   3HB   ALA   7          2HB       ALA   7  -1.063   0.026   0.026
   35    H    ALA   8           H        ALA   8  -5.308   0.164   0.164
   36    HA   ALA   8           HA       ALA   8  -5.642   2.731   2.731
   37   1HB   ALA   8          1HB       ALA   8  -6.986   0.282   0.282
   38   2HB   ALA   8          2HB       ALA   8  -8.106   1.388   1.388
   39   3HB   ALA   8          3HB       ALA   8  -7.521   1.774   1.774
   40    H    GLN   9           H        GLN   9  -6.033   1.371   1.371
   41    HA   GLN   9           HA       GLN   9  -7.638   3.508   3.508
   42   1HB   GLN   9          1HB       GLN   9  -7.675   1.281   1.281
   43   2HB   GLN   9          2HB       GLN   9  -5.988   1.435   1.435
   44   1HG   GLN   9          1HG       GLN   9  -6.496   2.639   2.639
   45   2HG   GLN   9          2HG       GLN   9  -7.462   3.773   3.773
   46   1HE2  GLN   9          2HE2      GLN   9  -9.335   0.304   0.304
   47   2HE2  GLN   9          1HE2      GLN   9  -7.722   0.283   0.283
   48    H    CYS  10           H        CYS  10  -4.347   3.244   3.244
   49    HA   CYS  10           HA       CYS  10  -2.633   4.603   4.603
   50   1HB   CYS  10          1HB       CYS  10  -3.947   6.469   6.469
   51   2HB   CYS  10          2HB       CYS  10  -4.751   6.470   6.470
   52    H    SER  11           H        SER  11  -2.420   2.633   2.633
   53    HA   SER  11           HA       SER  11  -1.288   3.973   3.973
   54   1HB   SER  11          1HB       SER  11  -3.774   3.159   3.159
   55   2HB   SER  11          2HB       SER  11  -3.413   1.542   1.542
   56    HG   SER  11           HG       SER  11  -3.228   1.973   1.973
   57    H    ILE  12           H        ILE  12   0.039   2.466   2.466
   58    HA   ILE  12           HA       ILE  12   1.301   0.578   0.578
   59    HB   ILE  12           HB       ILE  12   2.334   2.417   2.417
   60   1HG1  ILE  12          1HG1      ILE  12   3.598   3.346   3.346
   61   2HG1  ILE  12          2HG1      ILE  12   3.515   1.972   1.972
   62   1HG2  ILE  12          3HG2      ILE  12   3.195   0.165   0.165
   63   2HG2  ILE  12          1HG2      ILE  12   3.864   0.036   0.036
   64   3HG2  ILE  12          2HG2      ILE  12   4.472   1.285   1.285
   65   1HD1  ILE  12          1HD1      ILE  12   1.162   3.558   3.558
   66   2HD1  ILE  12          2HD1      ILE  12   2.210   3.573   3.573
   67   3HD1  ILE  12          3HD1      ILE  12   1.322   2.109   2.109
   68    H    THR  13           H        THR  13  -0.205   1.009   1.009
   69    HA   THR  13           HA       THR  13   0.706  -1.514  -1.514
   70    HB   THR  13           HB       THR  13  -1.497   0.476   0.476
   71    HG1  THR  13          1HG       THR  13   0.440   1.404   1.404
   72   1HG2  THR  13          1HG2      THR  13  -1.872  -1.840  -1.840
   73   2HG2  THR  13          2HG2      THR  13  -0.235  -1.787  -1.787
   74   3HG2  THR  13          3HG2      THR  13  -1.443  -0.631  -0.631
   75    H    LEU  14           H        LEU  14  -2.174  -0.346  -0.346
   76    HA   LEU  14           HA       LEU  14  -3.567  -2.845  -2.845
   77   1HB   LEU  14          1HB       LEU  14  -3.941  -0.445  -0.445
   78   2HB   LEU  14          2HB       LEU  14  -4.998  -1.832  -1.832
   79    HG   LEU  14           HG       LEU  14  -4.927   0.458   0.458
   80   1HD1  LEU  14          1HD1      LEU  14  -6.808  -1.091  -1.091
   81   2HD1  LEU  14          2HD1      LEU  14  -7.135  -1.390  -1.390
   82   3HD1  LEU  14          3HD1      LEU  14  -7.124   0.274   0.274
   83   1HD2  LEU  14          3HD2      LEU  14  -3.761  -1.051  -1.051
   84   2HD2  LEU  14          1HD2      LEU  14  -5.411  -0.728  -0.728
   85   3HD2  LEU  14          2HD2      LEU  14  -5.031  -2.276  -2.276
   86    H    CYS  15           H        CYS  15  -1.035  -1.602  -1.602
   87    HA   CYS  15           HA       CYS  15  -1.517  -3.373  -3.373
   88   1HB   CYS  15          1HB       CYS  15   0.811  -1.700  -1.700
   89   2HB   CYS  15          2HB       CYS  15   1.018  -2.879  -2.879
   90    H    ASN  16           H        ASN  16   1.219  -3.345  -3.345
   91    HA   ASN  16           HA       ASN  16   2.057  -5.870  -5.870
   92   1HB   ASN  16          1HB       ASN  16   3.088  -5.770  -5.770
   93   2HB   ASN  16          2HB       ASN  16   3.281  -4.251  -4.251
   94   1HD2  ASN  16          2HD2      ASN  16   2.184  -2.620  -2.620
   95   2HD2  ASN  16          1HD2      ASN  16   3.454  -2.945  -2.945
   96    H    LEU  17           H        LEU  17  -0.890  -4.764  -4.764
   97    HA   LEU  17           HA       LEU  17  -1.403  -6.671  -6.671
   98   1HB   LEU  17          1HB       LEU  17  -2.667  -4.542  -4.542
   99   2HB   LEU  17          2HB       LEU  17  -3.507  -5.531  -5.531
  100    HG   LEU  17           HG       LEU  17  -4.861  -5.338  -5.338
  101   1HD1  LEU  17          2HD1      LEU  17  -4.236  -7.732  -7.732
  102   2HD1  LEU  17          3HD1      LEU  17  -3.847  -8.045  -8.045
  103   3HD1  LEU  17          1HD1      LEU  17  -5.477  -7.499  -7.499
  104   1HD2  LEU  17          1HD2      LEU  17  -2.968  -4.684  -4.684
  105   2HD2  LEU  17          2HD2      LEU  17  -4.191  -5.759  -5.759
  106   3HD2  LEU  17          3HD2      LEU  17  -2.636  -6.420  -6.420
  107    H    TYR  18           H        TYR  18  -1.723  -6.812  -6.812
  108    HA   TYR  18           HA       TYR  18  -1.723  -9.698  -9.698
  109   1HB   TYR  18          1HB       TYR  18  -3.982  -7.931  -7.931
  110   2HB   TYR  18          2HB       TYR  18  -3.823  -9.613  -9.613
  111    HD1  TYR  18          1HD       TYR  18  -3.097 -10.897 -10.897
  112    HD2  TYR  18          2HD       TYR  18  -5.951  -7.834  -7.834
  113    HE1  TYR  18          1HE       TYR  18  -4.452 -11.584 -11.584
  114    HE2  TYR  18          2HE       TYR  18  -7.295  -8.534  -8.534
  115    HH   TYR  18           HH       TYR  18  -6.462  -9.847  -9.847
  116    H    CYS  19           H        CYS  19  -0.190  -7.213  -7.213
  117    HA   CYS  19           HA       CYS  19  -0.326  -7.749  -7.749
  118   1HB   CYS  19          1HB       CYS  19   1.104  -5.712  -5.712
  119   2HB   CYS  19          2HB       CYS  19   1.557  -5.971  -5.971
  120    H    GLY  20           H        GLY  20   2.375  -7.428  -7.428
  121   1HA   GLY  20          1HA       GLY  20   3.994  -8.980  -8.980
  122   2HA   GLY  20          2HA       GLY  20   3.440  -9.995  -9.995
  123    HA   PRO  21           HA       PRO  21   6.934  -8.408  -8.408
  124   1HB   PRO  21          1HB       PRO  21   6.624  -9.861  -9.861
  125   2HB   PRO  21          2HB       PRO  21   7.415 -10.499 -10.499
  126   1HG   PRO  21          1HG       PRO  21   4.733 -11.113 -11.113
  127   2HG   PRO  21          2HG       PRO  21   5.686 -12.022 -12.022
  128   1HD   PRO  21          1HD       PRO  21   3.439 -10.341 -10.341
  129   2HD   PRO  21          2HD       PRO  21   4.462 -11.157 -11.157
  130    H    LEU  22           H        LEU  22   3.707  -7.917  -7.917
  131    HA   LEU  22           HA       LEU  22   4.336  -6.286  -6.286
  132   1HB   LEU  22          1HB       LEU  22   1.682  -6.780  -6.780
  133   2HB   LEU  22          2HB       LEU  22   1.947  -6.039  -6.039
  134    HG   LEU  22           HG       LEU  22   3.187  -8.639  -8.639
  135   1HD1  LEU  22          3HD1      LEU  22   1.122  -8.687  -8.687
  136   2HD1  LEU  22          1HD1      LEU  22   0.287  -9.107  -9.107
  137   3HD1  LEU  22          2HD1      LEU  22   1.672 -10.080 -10.080
  138   1HD2  LEU  22          2HD2      LEU  22   2.365  -7.225  -7.225
  139   2HD2  LEU  22          3HD2      LEU  22   1.980  -8.956  -8.956
  140   3HD2  LEU  22          1HD2      LEU  22   0.728  -7.784  -7.784
  141    H    ILE  23           H        ILE  23   4.240  -6.027  -6.027
  142    HA   ILE  23           HA       ILE  23   3.130  -3.595  -3.595
  143    HB   ILE  23           HB       ILE  23   5.644  -4.797  -4.797
  144   1HG1  ILE  23          1HG1      ILE  23   2.818  -4.925  -4.925
  145   2HG1  ILE  23          2HG1      ILE  23   3.509  -6.167  -6.167
  146   1HG2  ILE  23          2HG2      ILE  23   5.435  -2.396  -2.396
  147   2HG2  ILE  23          3HG2      ILE  23   3.834  -2.661  -2.661
  148   3HG2  ILE  23          1HG2      ILE  23   5.260  -3.391  -3.391
  149   1HD1  ILE  23          2HD1      ILE  23   5.399  -6.419  -6.419
  150   2HD1  ILE  23          3HD1      ILE  23   4.563  -5.248  -5.248
  151   3HD1  ILE  23          1HD1      ILE  23   3.807  -6.814  -6.814
  152    H    GLU  24           H        GLU  24   6.363  -4.321  -4.321
  153    HA   GLU  24           HA       GLU  24   7.323  -1.754  -1.754
  154   1HB   GLU  24          1HB       GLU  24   8.518  -3.970  -3.970
  155   2HB   GLU  24          2HB       GLU  24   7.815  -3.765  -3.765
  156   1HG   GLU  24          1HG       GLU  24   8.905  -1.475  -1.475
  157   2HG   GLU  24          2HG       GLU  24   9.679  -1.786  -1.786
  158    H    ILE  25           H        ILE  25   5.786  -3.406  -3.406
  159    HA   ILE  25           HA       ILE  25   5.573  -1.038  -1.038
  160    HB   ILE  25           HB       ILE  25   4.340  -3.764  -3.764
  161   1HG1  ILE  25          1HG1      ILE  25   5.567  -3.591  -3.591
  162   2HG1  ILE  25          2HG1      ILE  25   6.371  -2.193  -2.193
  163   1HG2  ILE  25          1HG2      ILE  25   3.547  -1.331  -1.331
  164   2HG2  ILE  25          2HG2      ILE  25   3.418  -2.960  -2.960
  165   3HG2  ILE  25          3HG2      ILE  25   2.515  -2.539  -2.539
  166   1HD1  ILE  25          2HD1      ILE  25   6.293  -4.610  -4.610
  167   2HD1  ILE  25          3HD1      ILE  25   7.291  -4.741  -4.741
  168   3HD1  ILE  25          1HD1      ILE  25   7.613  -3.449  -3.449
  169    H    CYS  26           H        CYS  26   3.829  -2.230  -2.230
  170    HA   CYS  26           HA       CYS  26   1.388  -0.892  -0.892
  171   1HB   CYS  26          1HB       CYS  26   1.859  -2.918  -2.918
  172   2HB   CYS  26          2HB       CYS  26   2.228  -1.687  -1.687
  173    H    GLU  27           H        GLU  27   4.377  -0.301  -0.301
  174    HA   GLU  27           HA       GLU  27   3.363   2.173   2.173
  175   1HB   GLU  27          1HB       GLU  27   5.031   0.747   0.747
  176   2HB   GLU  27          2HB       GLU  27   6.211   1.085   1.085
  177   1HG   GLU  27          1HG       GLU  27   5.214   3.628   3.628
  178   2HG   GLU  27          2HG       GLU  27   5.415   2.738   2.738
  179    H    LEU  28           H        LEU  28   4.906   1.087   1.087
  180    HA   LEU  28           HA       LEU  28   6.135   3.572   3.572
  181   1HB   LEU  28          1HB       LEU  28   5.886   0.903   0.903
  182   2HB   LEU  28          2HB       LEU  28   5.704   2.127   2.127
  183    HG   LEU  28           HG       LEU  28   8.060   1.121   1.121
  184   1HD1  LEU  28          1HD1      LEU  28   7.225   3.226   3.226
  185   2HD1  LEU  28          2HD1      LEU  28   8.257   4.059   4.059
  186   3HD1  LEU  28          3HD1      LEU  28   8.925   2.749   2.749
  187   1HD2  LEU  28          1HD2      LEU  28   7.658   1.917   1.917
  188   2HD2  LEU  28          2HD2      LEU  28   9.267   2.104   2.104
  189   3HD2  LEU  28          3HD2      LEU  28   8.176   3.503   3.503
  190    H    THR  29           H        THR  29   3.229   1.837   1.837
  191    HA   THR  29           HA       THR  29   2.316   3.947   3.947
  192    HB   THR  29           HB       THR  29   0.991   1.578   1.578
  193    HG1  THR  29          1HG       THR  29   1.407   0.762   0.762
  194   1HG2  THR  29          2HG2      THR  29  -0.210   3.646   3.646
  195   2HG2  THR  29          3HG2      THR  29  -0.868   2.001   2.001
  196   3HG2  THR  29          1HG2      THR  29  -0.866   3.111   3.111
  197    H    VAL  30           H        VAL  30   1.759   3.248   3.248
  198    HA   VAL  30           HA       VAL  30  -0.169   5.211   5.211
  199    HB   VAL  30           HB       VAL  30   1.927   4.035   4.035
  200   1HG1  VAL  30          2HG1      VAL  30   0.894   6.285   6.285
  201   2HG1  VAL  30          3HG1      VAL  30  -0.621   5.385   5.385
  202   3HG1  VAL  30          1HG1      VAL  30   0.806   4.935   4.935
  203   1HG2  VAL  30          2HG2      VAL  30  -0.064   2.696   2.696
  204   2HG2  VAL  30          3HG2      VAL  30   0.496   2.320   2.320
  205   3HG2  VAL  30          1HG2      VAL  30  -0.955   3.314   3.314
  206    H    MET  31           H        MET  31   3.306   5.445   5.445
  207    HA   MET  31           HA       MET  31   3.429   8.067   8.067
  208   1HB   MET  31          1HB       MET  31   5.142   6.051   6.051
  209   2HB   MET  31          2HB       MET  31   5.608   6.931   6.931
  210   1HG   MET  31          1HG       MET  31   6.767   8.441   8.441
  211   2HG   MET  31          2HG       MET  31   5.334   8.848   8.848
  212   1HE   MET  31          1HE       MET  31   8.506   7.533   7.533
  213   2HE   MET  31          2HE       MET  31   8.985   7.816   7.816
  214   3HE   MET  31          3HE       MET  31   8.756   6.154   6.154
  215    H    GLN  32           H        GLN  32   3.267   6.389   6.389
  216    HA   GLN  32           HA       GLN  32   3.762   8.702   8.702
  217   1HB   GLN  32          1HB       GLN  32   3.568   6.023   6.023
  218   2HB   GLN  32          2HB       GLN  32   2.059   6.588   6.588
  219   1HG   GLN  32          1HG       GLN  32   3.771   6.681   6.681
  220   2HG   GLN  32          2HG       GLN  32   3.323   8.318   8.318
  221   1HE2  GLN  32          2HE2      GLN  32   7.105   6.906   6.906
  222   2HE2  GLN  32          1HE2      GLN  32   5.794   5.962   5.962
  223    H    ASN  33           H        ASN  33   1.237   8.132   8.132
  224    HA   ASN  33           HA       ASN  33  -0.429   9.967   9.967
  225   1HB   ASN  33          1HB       ASN  33  -2.372   8.675   8.675
  226   2HB   ASN  33          2HB       ASN  33  -1.174   7.412   7.412
  227   1HD2  ASN  33          2HD2      ASN  33  -1.861   5.805   5.805
  228   2HD2  ASN  33          1HD2      ASN  33  -1.178   5.811   5.811
  229    H    CYS  34           H        CYS  34   0.213   8.146   8.146
  230    HA   CYS  34           HA       CYS  34  -0.842  10.414  10.414
  231   1HB   CYS  34          1HB       CYS  34  -1.083   7.574   7.574
  232   2HB   CYS  34          2HB       CYS  34  -0.266   8.239   8.239
  233    H    GLU  35           H        GLU  35   0.466  10.207  10.207
  234    HA   GLU  35           HA       GLU  35   3.291  10.326  10.326
  235   1HB   GLU  35          1HB       GLU  35   2.394  12.601  12.601
  236   2HB   GLU  35          2HB       GLU  35   1.811  12.162  12.162
  237   1HG   GLU  35          1HG       GLU  35   3.919  13.323  13.323
  238   2HG   GLU  35          2HG       GLU  35   4.197  11.637  11.637
  239    HA   PRO  36           HA       PRO  36   2.813   7.391   7.391
  240   1HB   PRO  36          1HB       PRO  36   4.225   5.321   5.321
  241   2HB   PRO  36          2HB       PRO  36   2.483   5.484   5.484
  242   1HG   PRO  36          1HG       PRO  36   4.526   5.985   5.985
  243   2HG   PRO  36          2HG       PRO  36   2.814   5.723   5.723
  244   1HD   PRO  36          1HD       PRO  36   4.181   8.232   8.232
  245   2HD   PRO  36          2HD       PRO  36   2.455   7.978   7.978
  246    HA   PRO  37           HA       PRO  37   3.792   5.326   5.326
  247   1HB   PRO  37          1HB       PRO  37   4.478   4.637   4.637
  248   2HB   PRO  37          2HB       PRO  37   5.276   3.983   3.983
  249   1HG   PRO  37          1HG       PRO  37   6.259   6.015   6.015
  250   2HG   PRO  37          2HG       PRO  37   7.171   5.049   5.049
  251   1HD   PRO  37          1HD       PRO  37   6.450   7.813   7.813
  252   2HD   PRO  37          2HD       PRO  37   7.265   6.827   6.827
  253    H    PHE  38           H        PHE  38   1.506   5.048   5.048
  254    HA   PHE  38           HA       PHE  38   0.472   7.428   7.428
  255   1HB   PHE  38          1HB       PHE  38  -1.020   5.766   5.766
  256   2HB   PHE  38          2HB       PHE  38  -0.009   4.477   4.477
  257    HD1  PHE  38          2HD       PHE  38  -2.540   6.860   6.860
  258    HD2  PHE  38          1HD       PHE  38  -0.291   3.534   3.534
  259    HE1  PHE  38          2HE       PHE  38  -4.199   6.629   6.629
  260   1HE2  PHE  38          1HE       PHE  38  -1.944   3.299   3.299
  261   1HZ   PHE  38           HZ       PHE  38  -3.837   4.825   4.825
  262    H    SER  39           H        SER  39   0.282   8.559   8.559
  263    HA   SER  39           HA       SER  39   1.825   8.156   8.156
  264   1HB   SER  39          1HB       SER  39  -0.994   9.208   9.208
  265   2HB   SER  39          2HB       SER  39   0.499   9.766   9.766
  266    HG   SER  39           HG       SER  39  -0.556  10.973  10.973

  Start of MODEL   18
    1    HA   ASP   1           HA       ASP   1  -7.834  -9.589  -9.589
    2   1HB   ASP   1          1HB       ASP   1  -5.506  -9.676  -9.676
    3   2HB   ASP   1          2HB       ASP   1  -6.168 -10.264 -10.264
    4    H    GLU   2           H        GLU   2  -6.372  -8.478  -8.478
    5    HA   GLU   2           HA       GLU   2  -7.697  -5.883  -5.883
    6   1HB   GLU   2          1HB       GLU   2  -5.986  -7.445  -7.445
    7   2HB   GLU   2          2HB       GLU   2  -7.143  -6.153  -6.153
    8   1HG   GLU   2          1HG       GLU   2  -7.846  -8.937  -8.937
    9   2HG   GLU   2          2HG       GLU   2  -8.128  -8.331  -8.331
   10    H    CYS   3           H        CYS   3  -4.555  -7.337  -7.337
   11    HA   CYS   3           HA       CYS   3  -2.881  -5.202  -5.202
   12   1HB   CYS   3          1HB       CYS   3  -2.090  -7.378  -7.378
   13   2HB   CYS   3          2HB       CYS   3  -2.735  -6.969  -6.969
   14    H    ALA   4           H        ALA   4  -4.706  -5.708  -5.708
   15    HA   ALA   4           HA       ALA   4  -4.060  -3.230  -3.230
   16   1HB   ALA   4          2HB       ALA   4  -5.180  -5.120  -5.120
   17   2HB   ALA   4          3HB       ALA   4  -6.618  -4.885  -4.885
   18   3HB   ALA   4          1HB       ALA   4  -6.140  -3.635  -3.635
   19    H    ASN   5           H        ASN   5  -6.749  -4.107  -4.107
   20    HA   ASN   5           HA       ASN   5  -7.851  -1.482  -1.482
   21   1HB   ASN   5          1HB       ASN   5  -9.505  -2.071  -2.071
   22   2HB   ASN   5          2HB       ASN   5  -9.052  -3.618  -3.618
   23   1HD2  ASN   5          2HD2      ASN   5  -9.485  -4.906  -4.906
   24   2HD2  ASN   5          1HD2      ASN   5 -10.309  -4.512  -4.512
   25    H    ALA   6           H        ALA   6  -5.200  -2.735  -2.735
   26    HA   ALA   6           HA       ALA   6  -5.127  -0.707  -0.707
   27   1HB   ALA   6          2HB       ALA   6  -3.995  -2.949  -2.949
   28   2HB   ALA   6          3HB       ALA   6  -2.882  -2.478  -2.478
   29   3HB   ALA   6          1HB       ALA   6  -2.891  -1.558  -1.558
   30    H    ALA   7           H        ALA   7  -3.450  -1.222  -1.222
   31    HA   ALA   7           HA       ALA   7  -2.037   1.265   1.265
   32   1HB   ALA   7          1HB       ALA   7  -3.147  -0.419  -0.419
   33   2HB   ALA   7          2HB       ALA   7  -1.969   0.895   0.895
   34   3HB   ALA   7          3HB       ALA   7  -1.541  -0.581  -0.581
   35    H    ALA   8           H        ALA   8  -5.239   0.270   0.270
   36    HA   ALA   8           HA       ALA   8  -6.111   2.712   2.712
   37   1HB   ALA   8          1HB       ALA   8  -7.186   0.391   0.391
   38   2HB   ALA   8          2HB       ALA   8  -7.914   0.728   0.728
   39   3HB   ALA   8          3HB       ALA   8  -8.280   1.758   1.758
   40    H    GLN   9           H        GLN   9  -6.565   1.438   1.438
   41    HA   GLN   9           HA       GLN   9  -7.925   3.806   3.806
   42   1HB   GLN   9          1HB       GLN   9  -8.108   1.518   1.518
   43   2HB   GLN   9          2HB       GLN   9  -6.545   1.725   1.725
   44   1HG   GLN   9          1HG       GLN   9  -8.817   3.737   3.737
   45   2HG   GLN   9          2HG       GLN   9  -8.911   2.183   2.183
   46   1HE2  GLN   9          2HE2      GLN   9  -6.003   3.002   3.002
   47   2HE2  GLN   9          1HE2      GLN   9  -6.466   1.679   1.679
   48    H    CYS  10           H        CYS  10  -4.601   3.189   3.189
   49    HA   CYS  10           HA       CYS  10  -2.750   4.397   4.397
   50   1HB   CYS  10          1HB       CYS  10  -4.560   6.695   6.695
   51   2HB   CYS  10          2HB       CYS  10  -2.821   6.757   6.757
   52    H    SER  11           H        SER  11  -2.816   2.549   2.549
   53    HA   SER  11           HA       SER  11  -1.783   3.809   3.809
   54   1HB   SER  11          1HB       SER  11  -4.082   3.241   3.241
   55   2HB   SER  11          2HB       SER  11  -3.979   1.680   1.680
   56    HG   SER  11           HG       SER  11  -2.362   1.088   1.088
   57    H    ILE  12           H        ILE  12   0.067   3.232   3.232
   58    HA   ILE  12           HA       ILE  12   1.421   0.943   0.943
   59    HB   ILE  12           HB       ILE  12   1.971   2.690   2.690
   60   1HG1  ILE  12          1HG1      ILE  12   1.711   4.163   4.163
   61   2HG1  ILE  12          2HG1      ILE  12   3.429   3.887   3.887
   62   1HG2  ILE  12          2HG2      ILE  12   3.803   0.916   0.916
   63   2HG2  ILE  12          3HG2      ILE  12   4.345   2.080   2.080
   64   3HG2  ILE  12          1HG2      ILE  12   3.368   0.689   0.689
   65   1HD1  ILE  12          1HD1      ILE  12   3.149   2.107   2.107
   66   2HD1  ILE  12          2HD1      ILE  12   1.584   2.882   2.882
   67   3HD1  ILE  12          3HD1      ILE  12   3.072   3.817   3.817
   68    H    THR  13           H        THR  13  -0.600   1.509   1.509
   69    HA   THR  13           HA       THR  13   0.339  -0.788  -0.788
   70    HB   THR  13           HB       THR  13  -2.452   0.390   0.390
   71    HG1  THR  13          1HG       THR  13  -1.363   2.030   2.030
   72   1HG2  THR  13          3HG2      THR  13  -0.304  -0.584  -0.584
   73   2HG2  THR  13          1HG2      THR  13  -1.913   0.024   0.024
   74   3HG2  THR  13          2HG2      THR  13  -1.753  -1.483  -1.483
   75    H    LEU  14           H        LEU  14  -2.827  -0.272  -0.272
   76    HA   LEU  14           HA       LEU  14  -3.540  -2.930  -2.930
   77   1HB   LEU  14          1HB       LEU  14  -3.897  -0.541  -0.541
   78   2HB   LEU  14          2HB       LEU  14  -4.685  -2.110  -2.110
   79    HG   LEU  14           HG       LEU  14  -5.195   0.143   0.143
   80   1HD1  LEU  14          2HD1      LEU  14  -6.533  -0.243  -0.243
   81   2HD1  LEU  14          3HD1      LEU  14  -6.989  -1.841  -1.841
   82   3HD1  LEU  14          1HD1      LEU  14  -7.525  -0.389  -0.389
   83   1HD2  LEU  14          3HD2      LEU  14  -5.795  -2.757  -2.757
   84   2HD2  LEU  14          1HD2      LEU  14  -4.797  -1.637  -1.637
   85   3HD2  LEU  14          2HD2      LEU  14  -6.545  -1.359  -1.359
   86    H    CYS  15           H        CYS  15  -1.080  -1.148  -1.148
   87    HA   CYS  15           HA       CYS  15  -0.703  -3.184  -3.184
   88   1HB   CYS  15          1HB       CYS  15   1.429  -1.325  -1.325
   89   2HB   CYS  15          2HB       CYS  15   1.669  -2.437  -2.437
   90    H    ASN  16           H        ASN  16   1.288  -2.673  -2.673
   91    HA   ASN  16           HA       ASN  16   2.430  -5.307  -5.307
   92   1HB   ASN  16          1HB       ASN  16   2.326  -3.785  -3.785
   93   2HB   ASN  16          2HB       ASN  16   3.370  -5.144  -5.144
   94   1HD2  ASN  16          2HD2      ASN  16   4.421  -1.429  -1.429
   95   2HD2  ASN  16          1HD2      ASN  16   2.716  -1.720  -1.720
   96    H    LEU  17           H        LEU  17  -0.671  -4.359  -4.359
   97    HA   LEU  17           HA       LEU  17  -1.059  -6.555  -6.555
   98   1HB   LEU  17          1HB       LEU  17  -2.539  -4.446  -4.446
   99   2HB   LEU  17          2HB       LEU  17  -3.360  -5.692  -5.692
  100    HG   LEU  17           HG       LEU  17  -4.581  -5.605  -5.605
  101   1HD1  LEU  17          3HD1      LEU  17  -3.365  -7.906  -7.906
  102   2HD1  LEU  17          1HD1      LEU  17  -2.458  -7.251  -7.251
  103   3HD1  LEU  17          2HD1      LEU  17  -4.214  -7.375  -7.375
  104   1HD2  LEU  17          2HD2      LEU  17  -2.109  -4.779  -4.779
  105   2HD2  LEU  17          3HD2      LEU  17  -3.429  -3.728  -3.728
  106   3HD2  LEU  17          1HD2      LEU  17  -3.733  -4.940  -4.940
  107    H    TYR  18           H        TYR  18  -1.766  -6.300  -6.300
  108    HA   TYR  18           HA       TYR  18  -1.684  -9.298  -9.298
  109   1HB   TYR  18          1HB       TYR  18  -3.830  -7.429  -7.429
  110   2HB   TYR  18          2HB       TYR  18  -3.794  -9.183  -9.183
  111    HD1  TYR  18          2HD       TYR  18  -3.303 -10.402 -10.402
  112    HD2  TYR  18          1HD       TYR  18  -5.501  -6.759  -6.759
  113    HE1  TYR  18          2HE       TYR  18  -4.480 -10.698 -10.698
  114    HE2  TYR  18          1HE       TYR  18  -6.744  -7.114  -7.114
  115    HH   TYR  18           HH       TYR  18  -5.674  -9.410  -9.410
  116    H    CYS  19           H        CYS  19   0.288  -7.226  -7.226
  117    HA   CYS  19           HA       CYS  19  -0.109  -7.919  -7.919
  118   1HB   CYS  19          1HB       CYS  19   1.531  -5.860  -5.860
  119   2HB   CYS  19          2HB       CYS  19   1.818  -6.325  -6.325
  120    H    GLY  20           H        GLY  20   2.337  -8.483  -8.483
  121   1HA   GLY  20          1HA       GLY  20   4.181  -9.835  -9.835
  122   2HA   GLY  20          2HA       GLY  20   3.494 -10.693 -10.693
  123    HA   PRO  21           HA       PRO  21   7.244  -8.577  -8.577
  124   1HB   PRO  21          1HB       PRO  21   7.099  -9.535  -9.535
  125   2HB   PRO  21          2HB       PRO  21   7.678 -10.516 -10.516
  126   1HG   PRO  21          1HG       PRO  21   4.891 -10.509 -10.509
  127   2HG   PRO  21          2HG       PRO  21   5.940 -11.922 -11.922
  128   1HD   PRO  21          1HD       PRO  21   4.069 -11.194 -11.194
  129   2HD   PRO  21          2HD       PRO  21   5.695 -11.662 -11.662
  130    H    LEU  22           H        LEU  22   4.008  -8.668  -8.668
  131    HA   LEU  22           HA       LEU  22   4.156  -6.449  -6.449
  132   1HB   LEU  22          1HB       LEU  22   1.711  -7.242  -7.242
  133   2HB   LEU  22          2HB       LEU  22   1.771  -6.456  -6.456
  134    HG   LEU  22           HG       LEU  22   2.564  -9.347  -9.347
  135   1HD1  LEU  22          2HD1      LEU  22   0.118  -8.176  -8.176
  136   2HD1  LEU  22          3HD1      LEU  22   0.516  -9.899  -9.899
  137   3HD1  LEU  22          1HD1      LEU  22   0.151  -8.947  -8.947
  138   1HD2  LEU  22          1HD2      LEU  22   3.829  -8.390  -8.390
  139   2HD2  LEU  22          2HD2      LEU  22   2.657  -9.615  -9.615
  140   3HD2  LEU  22          3HD2      LEU  22   2.276  -7.891  -7.891
  141    H    ILE  23           H        ILE  23   4.450  -6.496  -6.496
  142    HA   ILE  23           HA       ILE  23   3.270  -4.072  -4.072
  143    HB   ILE  23           HB       ILE  23   5.856  -5.414  -5.414
  144   1HG1  ILE  23          1HG1      ILE  23   3.214  -4.981  -4.981
  145   2HG1  ILE  23          2HG1      ILE  23   3.521  -6.425  -6.425
  146   1HG2  ILE  23          1HG2      ILE  23   4.473  -2.982  -2.982
  147   2HG2  ILE  23          2HG2      ILE  23   5.841  -3.861  -3.861
  148   3HG2  ILE  23          3HG2      ILE  23   6.060  -2.975  -2.975
  149   1HD1  ILE  23          2HD1      ILE  23   5.561  -6.891  -6.891
  150   2HD1  ILE  23          3HD1      ILE  23   5.002  -5.608  -5.608
  151   3HD1  ILE  23          1HD1      ILE  23   3.994  -7.036  -7.036
  152    H    GLU  24           H        GLU  24   6.355  -4.715  -4.715
  153    HA   GLU  24           HA       GLU  24   7.052  -1.940  -1.940
  154   1HB   GLU  24          1HB       GLU  24   8.747  -3.698  -3.698
  155   2HB   GLU  24          2HB       GLU  24   7.866  -4.153  -4.153
  156   1HG   GLU  24          1HG       GLU  24   8.325  -1.886  -1.886
  157   2HG   GLU  24          2HG       GLU  24   9.237  -1.463  -1.463
  158    H    ILE  25           H        ILE  25   5.729  -3.672  -3.672
  159    HA   ILE  25           HA       ILE  25   5.345  -1.290  -1.290
  160    HB   ILE  25           HB       ILE  25   3.693  -3.855  -3.855
  161   1HG1  ILE  25          1HG1      ILE  25   5.966  -4.462  -4.462
  162   2HG1  ILE  25          2HG1      ILE  25   5.027  -4.538  -4.538
  163   1HG2  ILE  25          2HG2      ILE  25   3.793  -1.603  -1.603
  164   2HG2  ILE  25          3HG2      ILE  25   3.077  -3.209  -3.209
  165   3HG2  ILE  25          1HG2      ILE  25   2.416  -2.172  -2.172
  166   1HD1  ILE  25          1HD1      ILE  25   5.964  -2.288  -2.288
  167   2HD1  ILE  25          2HD1      ILE  25   7.000  -2.350  -2.350
  168   3HD1  ILE  25          3HD1      ILE  25   7.180  -3.565  -3.565
  169    H    CYS  26           H        CYS  26   3.509  -2.563  -2.563
  170    HA   CYS  26           HA       CYS  26   1.142  -1.016  -1.016
  171   1HB   CYS  26          1HB       CYS  26   1.161  -3.060  -3.060
  172   2HB   CYS  26          2HB       CYS  26   2.109  -2.292  -2.292
  173    H    GLU  27           H        GLU  27   3.957  -0.802  -0.802
  174    HA   GLU  27           HA       GLU  27   3.271   1.592   1.592
  175   1HB   GLU  27          1HB       GLU  27   4.933  -0.119  -0.119
  176   2HB   GLU  27          2HB       GLU  27   5.955   0.304   0.304
  177   1HG   GLU  27          1HG       GLU  27   6.259   2.576   2.576
  178   2HG   GLU  27          2HG       GLU  27   5.261   2.112   2.112
  179    H    LEU  28           H        LEU  28   5.150   0.840   0.840
  180    HA   LEU  28           HA       LEU  28   5.893   3.442   3.442
  181   1HB   LEU  28          1HB       LEU  28   5.747   0.735   0.735
  182   2HB   LEU  28          2HB       LEU  28   5.528   1.970   1.970
  183    HG   LEU  28           HG       LEU  28   7.784   1.334   1.334
  184   1HD1  LEU  28          3HD1      LEU  28   7.147   3.777   3.777
  185   2HD1  LEU  28          1HD1      LEU  28   7.720   4.122   4.122
  186   3HD1  LEU  28          2HD1      LEU  28   8.840   3.475   3.475
  187   1HD2  LEU  28          1HD2      LEU  28   7.945   0.565   0.565
  188   2HD2  LEU  28          2HD2      LEU  28   9.231   1.733   1.733
  189   3HD2  LEU  28          3HD2      LEU  28   7.816   2.229   2.229
  190    H    THR  29           H        THR  29   3.008   1.546   1.546
  191    HA   THR  29           HA       THR  29   1.981   3.570   3.570
  192    HB   THR  29           HB       THR  29   0.445   1.537   1.537
  193    HG1  THR  29          1HG       THR  29   2.091   0.732   0.732
  194   1HG2  THR  29          1HG2      THR  29  -0.369   3.011   3.011
  195   2HG2  THR  29          2HG2      THR  29  -1.270   1.674   1.674
  196   3HG2  THR  29          3HG2      THR  29  -1.096   3.206   3.206
  197    H    VAL  30           H        VAL  30   1.526   3.069   3.069
  198    HA   VAL  30           HA       VAL  30  -0.265   5.296   5.296
  199    HB   VAL  30           HB       VAL  30   1.651   4.197   4.197
  200   1HG1  VAL  30          3HG1      VAL  30  -0.888   5.873   5.873
  201   2HG1  VAL  30          1HG1      VAL  30  -0.049   5.180   5.180
  202   3HG1  VAL  30          2HG1      VAL  30   0.738   6.425   6.425
  203   1HG2  VAL  30          3HG2      VAL  30  -1.160   3.408   3.408
  204   2HG2  VAL  30          1HG2      VAL  30   0.240   2.358   2.358
  205   3HG2  VAL  30          2HG2      VAL  30  -0.533   3.047   3.047
  206    H    MET  31           H        MET  31   3.276   5.064   5.064
  207    HA   MET  31           HA       MET  31   3.919   7.721   7.721
  208   1HB   MET  31          1HB       MET  31   5.276   5.378   5.378
  209   2HB   MET  31          2HB       MET  31   5.704   6.307   6.307
  210   1HG   MET  31          1HG       MET  31   6.453   8.170   8.170
  211   2HG   MET  31          2HG       MET  31   6.049   7.163   7.163
  212   1HE   MET  31          1HE       MET  31   7.319   4.995   4.995
  213   2HE   MET  31          2HE       MET  31   7.138   4.229   4.229
  214   3HE   MET  31          3HE       MET  31   8.740   4.351   4.351
  215    H    GLN  32           H        GLN  32   3.229   6.169   6.169
  216    HA   GLN  32           HA       GLN  32   3.862   8.546   8.546
  217   1HB   GLN  32          1HB       GLN  32   3.976   5.746   5.746
  218   2HB   GLN  32          2HB       GLN  32   2.643   6.263   6.263
  219   1HG   GLN  32          1HG       GLN  32   4.713   8.194   8.194
  220   2HG   GLN  32          2HG       GLN  32   5.535   6.651   6.651
  221   1HE2  GLN  32          2HE2      GLN  32   3.262   7.451   7.451
  222   2HE2  GLN  32          1HE2      GLN  32   3.518   8.636   8.636
  223    H    ASN  33           H        ASN  33   1.038   7.657   7.657
  224    HA   ASN  33           HA       ASN  33  -0.512   9.384   9.384
  225   1HB   ASN  33          1HB       ASN  33  -2.129   7.937   7.937
  226   2HB   ASN  33          2HB       ASN  33  -0.907   6.698   6.698
  227   1HD2  ASN  33          2HD2      ASN  33  -2.420   5.675   5.675
  228   2HD2  ASN  33          1HD2      ASN  33  -0.881   5.854   5.854
  229    H    CYS  34           H        CYS  34   0.551   8.932   8.932
  230    HA   CYS  34           HA       CYS  34  -1.444  10.653  10.653
  231   1HB   CYS  34          1HB       CYS  34  -1.238   7.685   7.685
  232   2HB   CYS  34          2HB       CYS  34  -1.324   8.547   8.547
  233    H    GLU  35           H        GLU  35  -0.548  10.500  10.500
  234    HA   GLU  35           HA       GLU  35   2.436  10.623  10.623
  235   1HB   GLU  35          1HB       GLU  35   1.355  12.847  12.847
  236   2HB   GLU  35          2HB       GLU  35   0.692  12.450  12.450
  237   1HG   GLU  35          1HG       GLU  35   3.685  12.098  12.098
  238   2HG   GLU  35          2HG       GLU  35   3.032  13.708  13.708
  239    HA   PRO  36           HA       PRO  36   1.531   7.820   7.820
  240   1HB   PRO  36          1HB       PRO  36   3.303   5.856   5.856
  241   2HB   PRO  36          2HB       PRO  36   1.814   6.080   6.080
  242   1HG   PRO  36          1HG       PRO  36   4.652   6.991   6.991
  243   2HG   PRO  36          2HG       PRO  36   3.515   6.186   6.186
  244   1HD   PRO  36          1HD       PRO  36   3.925   8.960   8.960
  245   2HD   PRO  36          2HD       PRO  36   2.418   8.211   8.211
  246    HA   PRO  37           HA       PRO  37   2.726   5.916   5.916
  247   1HB   PRO  37          1HB       PRO  37   2.886   5.841   5.841
  248   2HB   PRO  37          2HB       PRO  37   4.242   5.405   5.405
  249   1HG   PRO  37          1HG       PRO  37   3.793   8.033   8.033
  250   2HG   PRO  37          2HG       PRO  37   5.290   7.070   7.070
  251   1HD   PRO  37          1HD       PRO  37   4.717   9.236   9.236
  252   2HD   PRO  37          2HD       PRO  37   5.660   7.834   7.834
  253    H    PHE  38           H        PHE  38   0.495   5.749   5.749
  254    HA   PHE  38           HA       PHE  38  -1.277   7.722   7.722
  255   1HB   PHE  38          1HB       PHE  38  -1.928   5.747   5.747
  256   2HB   PHE  38          2HB       PHE  38  -1.119   4.801   4.801
  257    HD1  PHE  38          1HD       PHE  38  -4.095   6.737   6.737
  258    HD2  PHE  38          2HD       PHE  38  -2.252   3.834   3.834
  259    HE1  PHE  38          1HE       PHE  38  -6.344   6.213   6.213
  260    HE2  PHE  38          2HE       PHE  38  -4.496   3.178   3.178
  261   1HZ   PHE  38           HZ       PHE  38  -6.534   4.418   4.418
  262    H    SER  39           H        SER  39  -2.381   8.920   8.920
  263    HA   SER  39           HA       SER  39  -1.546   9.357   9.357
  264   1HB   SER  39          1HB       SER  39  -3.667  10.678  10.678
  265   2HB   SER  39          2HB       SER  39  -2.642  11.065  11.065
  266    HG   SER  39           HG       SER  39  -4.761   9.184   9.184

  Start of MODEL   19
    1    HA   ASP   1           HA       ASP   1  -7.565  -9.307  -9.307
    2   1HB   ASP   1          1HB       ASP   1  -5.761  -9.300  -9.300
    3   2HB   ASP   1          2HB       ASP   1  -5.314  -7.651  -7.651
    4    H    GLU   2           H        GLU   2  -6.665  -8.387  -8.387
    5    HA   GLU   2           HA       GLU   2  -7.938  -5.806  -5.806
    6   1HB   GLU   2          1HB       GLU   2  -6.674  -8.096  -8.096
    7   2HB   GLU   2          2HB       GLU   2  -7.239  -6.582  -6.582
    8   1HG   GLU   2          1HG       GLU   2  -9.498  -6.957  -6.957
    9   2HG   GLU   2          2HG       GLU   2  -9.052  -8.328  -8.328
   10    H    CYS   3           H        CYS   3  -4.803  -7.429  -7.429
   11    HA   CYS   3           HA       CYS   3  -3.069  -5.373  -5.373
   12   1HB   CYS   3          1HB       CYS   3  -2.194  -7.526  -7.526
   13   2HB   CYS   3          2HB       CYS   3  -2.809  -7.305  -7.305
   14    H    ALA   4           H        ALA   4  -4.733  -5.788  -5.788
   15    HA   ALA   4           HA       ALA   4  -3.714  -3.403  -3.403
   16   1HB   ALA   4          2HB       ALA   4  -6.328  -4.911  -4.911
   17   2HB   ALA   4          3HB       ALA   4  -5.696  -3.611  -3.611
   18   3HB   ALA   4          1HB       ALA   4  -4.794  -5.138  -5.138
   19    H    ASN   5           H        ASN   5  -6.749  -4.151  -4.151
   20    HA   ASN   5           HA       ASN   5  -7.805  -1.580  -1.580
   21   1HB   ASN   5          1HB       ASN   5  -8.603  -4.050  -4.050
   22   2HB   ASN   5          2HB       ASN   5  -8.478  -3.083  -3.083
   23   1HD2  ASN   5          2HD2      ASN   5 -11.957  -2.897  -2.897
   24   2HD2  ASN   5          1HD2      ASN   5 -10.921  -3.901  -3.901
   25    H    ALA   6           H        ALA   6  -5.462  -2.839  -2.839
   26    HA   ALA   6           HA       ALA   6  -5.531  -0.720  -0.720
   27   1HB   ALA   6          2HB       ALA   6  -3.257  -2.571  -2.571
   28   2HB   ALA   6          3HB       ALA   6  -3.314  -1.520  -1.520
   29   3HB   ALA   6          1HB       ALA   6  -4.459  -2.876  -2.876
   30    H    ALA   7           H        ALA   7  -3.761  -1.190  -1.190
   31    HA   ALA   7           HA       ALA   7  -2.106   1.138   1.138
   32   1HB   ALA   7          3HB       ALA   7  -1.740  -0.666  -0.666
   33   2HB   ALA   7          1HB       ALA   7  -3.204  -0.127  -0.127
   34   3HB   ALA   7          2HB       ALA   7  -1.826   0.961   0.961
   35    H    ALA   8           H        ALA   8  -5.333   0.538   0.538
   36    HA   ALA   8           HA       ALA   8  -5.886   3.224   3.224
   37   1HB   ALA   8          3HB       ALA   8  -7.258   1.297   1.297
   38   2HB   ALA   8          1HB       ALA   8  -7.894   1.125   1.125
   39   3HB   ALA   8          2HB       ALA   8  -8.238   2.588   2.588
   40    H    GLN   9           H        GLN   9  -6.295   1.530   1.530
   41    HA   GLN   9           HA       GLN   9  -7.483   3.799   3.799
   42   1HB   GLN   9          1HB       GLN   9  -7.809   1.366   1.366
   43   2HB   GLN   9          2HB       GLN   9  -6.202   1.401   1.401
   44   1HG   GLN   9          1HG       GLN   9  -6.950   2.978   2.978
   45   2HG   GLN   9          2HG       GLN   9  -8.396   3.390   3.390
   46   1HE2  GLN   9          2HE2      GLN   9  -9.575   1.310   1.310
   47   2HE2  GLN   9          1HE2      GLN   9  -8.939   2.930   2.930
   48    H    CYS  10           H        CYS  10  -4.347   3.349   3.349
   49    HA   CYS  10           HA       CYS  10  -2.515   4.613   4.613
   50   1HB   CYS  10          1HB       CYS  10  -4.620   6.478   6.478
   51   2HB   CYS  10          2HB       CYS  10  -2.932   6.953   6.953
   52    H    SER  11           H        SER  11  -2.487   2.546   2.546
   53    HA   SER  11           HA       SER  11  -1.268   3.741   3.741
   54   1HB   SER  11          1HB       SER  11  -3.725   3.245   3.245
   55   2HB   SER  11          2HB       SER  11  -3.570   1.685   1.685
   56    HG   SER  11           HG       SER  11  -2.957   2.351   2.351
   57    H    ILE  12           H        ILE  12   0.376   2.860   2.860
   58    HA   ILE  12           HA       ILE  12   1.594   0.617   0.617
   59    HB   ILE  12           HB       ILE  12   2.268   2.703   2.703
   60   1HG1  ILE  12          1HG1      ILE  12   3.986   3.304   3.304
   61   2HG1  ILE  12          2HG1      ILE  12   3.412   1.892   1.892
   62   1HG2  ILE  12          3HG2      ILE  12   4.071   0.377   0.377
   63   2HG2  ILE  12          1HG2      ILE  12   4.556   1.806   1.806
   64   3HG2  ILE  12          2HG2      ILE  12   3.401   0.671   0.671
   65   1HD1  ILE  12          1HD1      ILE  12   1.602   4.224   4.224
   66   2HD1  ILE  12          2HD1      ILE  12   2.744   4.043   4.043
   67   3HD1  ILE  12          3HD1      ILE  12   1.490   2.848   2.848
   68    H    THR  13           H        THR  13   0.010   1.247   1.247
   69    HA   THR  13           HA       THR  13   0.818  -1.275  -1.275
   70    HB   THR  13           HB       THR  13  -1.341   0.753   0.753
   71    HG1  THR  13          1HG       THR  13   0.882   1.409   1.409
   72   1HG2  THR  13          3HG2      THR  13  -0.393  -1.628  -1.628
   73   2HG2  THR  13          1HG2      THR  13  -1.320  -0.273  -0.273
   74   3HG2  THR  13          2HG2      THR  13  -2.045  -1.292  -1.292
   75    H    LEU  14           H        LEU  14  -2.226  -0.103  -0.103
   76    HA   LEU  14           HA       LEU  14  -3.355  -2.770  -2.770
   77   1HB   LEU  14          1HB       LEU  14  -4.050  -0.364  -0.364
   78   2HB   LEU  14          2HB       LEU  14  -4.868  -1.890  -1.890
   79    HG   LEU  14           HG       LEU  14  -4.554  -0.697  -0.697
   80   1HD1  LEU  14          2HD1      LEU  14  -6.412   0.348   0.348
   81   2HD1  LEU  14          3HD1      LEU  14  -6.637   0.646   0.646
   82   3HD1  LEU  14          1HD1      LEU  14  -5.208   1.283   1.283
   83   1HD2  LEU  14          1HD2      LEU  14  -5.621  -2.888  -2.888
   84   2HD2  LEU  14          2HD2      LEU  14  -6.782  -1.702  -1.702
   85   3HD2  LEU  14          3HD2      LEU  14  -6.772  -2.057  -2.057
   86    H    CYS  15           H        CYS  15  -1.170  -1.111  -1.111
   87    HA   CYS  15           HA       CYS  15  -1.230  -3.096  -3.096
   88   1HB   CYS  15          1HB       CYS  15   1.079  -1.435  -1.435
   89   2HB   CYS  15          2HB       CYS  15   1.286  -2.611  -2.611
   90    H    ASN  16           H        ASN  16   0.983  -2.869  -2.869
   91    HA   ASN  16           HA       ASN  16   1.917  -5.534  -5.534
   92   1HB   ASN  16          1HB       ASN  16   3.323  -5.304  -5.304
   93   2HB   ASN  16          2HB       ASN  16   3.299  -3.752  -3.752
   94   1HD2  ASN  16          2HD2      ASN  16   3.081  -2.363  -2.363
   95   2HD2  ASN  16          1HD2      ASN  16   3.738  -2.284  -2.284
   96    H    LEU  17           H        LEU  17  -0.917  -4.553  -4.553
   97    HA   LEU  17           HA       LEU  17  -1.221  -6.826  -6.826
   98   1HB   LEU  17          1HB       LEU  17  -2.654  -4.824  -4.824
   99   2HB   LEU  17          2HB       LEU  17  -3.516  -5.536  -5.536
  100    HG   LEU  17           HG       LEU  17  -2.988  -7.308  -7.308
  101   1HD1  LEU  17          1HD1      LEU  17  -4.793  -4.903  -4.903
  102   2HD1  LEU  17          2HD1      LEU  17  -5.011  -6.293  -6.293
  103   3HD1  LEU  17          3HD1      LEU  17  -3.517  -5.361  -5.361
  104   1HD2  LEU  17          1HD2      LEU  17  -4.319  -7.999  -7.999
  105   2HD2  LEU  17          2HD2      LEU  17  -5.070  -8.239  -8.239
  106   3HD2  LEU  17          3HD2      LEU  17  -5.543  -6.841  -6.841
  107    H    TYR  18           H        TYR  18  -1.651  -6.479  -6.479
  108    HA   TYR  18           HA       TYR  18  -2.297  -9.422  -9.422
  109   1HB   TYR  18          1HB       TYR  18  -3.156  -7.018  -7.018
  110   2HB   TYR  18          2HB       TYR  18  -3.333  -8.679  -8.679
  111    HD1  TYR  18          1HD       TYR  18  -4.557 -10.358 -10.358
  112    HD2  TYR  18          2HD       TYR  18  -4.922  -6.078  -6.078
  113    HE1  TYR  18          1HE       TYR  18  -6.332 -10.657 -10.657
  114    HE2  TYR  18          2HE       TYR  18  -6.835  -6.392  -6.392
  115    HH   TYR  18           HH       TYR  18  -7.261  -9.564  -9.564
  116    H    CYS  19           H        CYS  19  -0.583  -6.776  -6.776
  117    HA   CYS  19           HA       CYS  19  -0.097  -7.971  -7.971
  118   1HB   CYS  19          1HB       CYS  19   1.368  -5.816  -5.816
  119   2HB   CYS  19          2HB       CYS  19   1.858  -6.273  -6.273
  120    H    GLY  20           H        GLY  20   2.324  -7.987  -7.987
  121   1HA   GLY  20          1HA       GLY  20   4.096  -9.305  -9.305
  122   2HA   GLY  20          2HA       GLY  20   3.536 -10.451 -10.451
  123    HA   PRO  21           HA       PRO  21   7.242  -8.567  -8.567
  124   1HB   PRO  21          1HB       PRO  21   7.102  -9.875  -9.875
  125   2HB   PRO  21          2HB       PRO  21   7.739 -10.630 -10.630
  126   1HG   PRO  21          1HG       PRO  21   4.967 -10.924 -10.924
  127   2HG   PRO  21          2HG       PRO  21   6.044 -12.205 -12.205
  128   1HD   PRO  21          1HD       PRO  21   4.026 -11.162 -11.162
  129   2HD   PRO  21          2HD       PRO  21   5.578 -11.627 -11.627
  130    H    LEU  22           H        LEU  22   3.927  -8.711  -8.711
  131    HA   LEU  22           HA       LEU  22   4.235  -6.672  -6.672
  132   1HB   LEU  22          1HB       LEU  22   1.765  -7.245  -7.245
  133   2HB   LEU  22          2HB       LEU  22   1.861  -6.454  -6.454
  134    HG   LEU  22           HG       LEU  22   2.481  -9.383  -9.383
  135   1HD1  LEU  22          1HD1      LEU  22   0.101  -8.660  -8.660
  136   2HD1  LEU  22          2HD1      LEU  22   0.145  -8.081  -8.081
  137   3HD1  LEU  22          3HD1      LEU  22   0.362  -9.800  -9.800
  138   1HD2  LEU  22          1HD2      LEU  22   2.352  -7.936  -7.936
  139   2HD2  LEU  22          2HD2      LEU  22   3.811  -8.640  -8.640
  140   3HD2  LEU  22          3HD2      LEU  22   2.482  -9.691  -9.691
  141    H    ILE  23           H        ILE  23   4.570  -6.377  -6.377
  142    HA   ILE  23           HA       ILE  23   3.192  -3.982  -3.982
  143    HB   ILE  23           HB       ILE  23   5.790  -5.059  -5.059
  144   1HG1  ILE  23          1HG1      ILE  23   3.018  -4.864  -4.864
  145   2HG1  ILE  23          2HG1      ILE  23   3.473  -6.263  -6.263
  146   1HG2  ILE  23          3HG2      ILE  23   3.972  -2.810  -2.810
  147   2HG2  ILE  23          1HG2      ILE  23   5.300  -3.538  -3.538
  148   3HG2  ILE  23          2HG2      ILE  23   5.653  -2.617  -2.617
  149   1HD1  ILE  23          1HD1      ILE  23   5.430  -6.660  -6.660
  150   2HD1  ILE  23          2HD1      ILE  23   4.772  -5.435  -5.435
  151   3HD1  ILE  23          3HD1      ILE  23   3.824  -6.893  -6.893
  152    H    GLU  24           H        GLU  24   6.342  -4.565  -4.565
  153    HA   GLU  24           HA       GLU  24   7.052  -1.817  -1.817
  154   1HB   GLU  24          1HB       GLU  24   8.584  -3.866  -3.866
  155   2HB   GLU  24          2HB       GLU  24   8.028  -3.962  -3.962
  156   1HG   GLU  24          1HG       GLU  24   8.972  -1.740  -1.740
  157   2HG   GLU  24          2HG       GLU  24   9.362  -1.489  -1.489
  158    H    ILE  25           H        ILE  25   5.945  -3.597  -3.597
  159    HA   ILE  25           HA       ILE  25   5.600  -1.172  -1.172
  160    HB   ILE  25           HB       ILE  25   4.254  -3.834  -3.834
  161   1HG1  ILE  25          1HG1      ILE  25   6.692  -3.633  -3.633
  162   2HG1  ILE  25          2HG1      ILE  25   5.640  -4.064  -4.064
  163   1HG2  ILE  25          2HG2      ILE  25   3.829  -1.325  -1.325
  164   2HG2  ILE  25          3HG2      ILE  25   3.483  -2.955  -2.955
  165   3HG2  ILE  25          1HG2      ILE  25   2.604  -2.334  -2.334
  166   1HD1  ILE  25          1HD1      ILE  25   5.772  -1.737  -1.737
  167   2HD1  ILE  25          2HD1      ILE  25   6.869  -1.315  -1.315
  168   3HD1  ILE  25          3HD1      ILE  25   7.351  -2.516  -2.516
  169    H    CYS  26           H        CYS  26   3.633  -2.569  -2.569
  170    HA   CYS  26           HA       CYS  26   1.210  -1.094  -1.094
  171   1HB   CYS  26          1HB       CYS  26   1.408  -3.127  -3.127
  172   2HB   CYS  26          2HB       CYS  26   2.162  -2.197  -2.197
  173    H    GLU  27           H        GLU  27   3.983  -0.636  -0.636
  174    HA   GLU  27           HA       GLU  27   3.021   1.876   1.876
  175   1HB   GLU  27          1HB       GLU  27   4.716   0.500   0.500
  176   2HB   GLU  27          2HB       GLU  27   5.883   0.811   0.811
  177   1HG   GLU  27          1HG       GLU  27   5.744   3.230   3.230
  178   2HG   GLU  27          2HG       GLU  27   4.478   2.999   2.999
  179    H    LEU  28           H        LEU  28   5.119   0.911   0.911
  180    HA   LEU  28           HA       LEU  28   5.881   3.520   3.520
  181   1HB   LEU  28          1HB       LEU  28   5.774   0.798   0.798
  182   2HB   LEU  28          2HB       LEU  28   5.601   2.029   2.029
  183    HG   LEU  28           HG       LEU  28   7.869   1.245   1.245
  184   1HD1  LEU  28          2HD1      LEU  28   7.370   3.614   3.614
  185   2HD1  LEU  28          3HD1      LEU  28   7.739   4.161   4.161
  186   3HD1  LEU  28          1HD1      LEU  28   8.981   3.363   3.363
  187   1HD2  LEU  28          3HD2      LEU  28   7.937   0.706   0.706
  188   2HD2  LEU  28          1HD2      LEU  28   9.256   1.795   1.795
  189   3HD2  LEU  28          2HD2      LEU  28   7.839   2.423   2.423
  190    H    THR  29           H        THR  29   2.966   1.578   1.578
  191    HA   THR  29           HA       THR  29   1.817   3.562   3.562
  192    HB   THR  29           HB       THR  29   0.429   1.530   1.530
  193    HG1  THR  29          1HG       THR  29   1.229   1.357   1.357
  194   1HG2  THR  29          3HG2      THR  29  -0.538   3.092   3.092
  195   2HG2  THR  29          1HG2      THR  29  -1.373   1.695   1.695
  196   3HG2  THR  29          2HG2      THR  29  -1.162   3.166   3.166
  197    H    VAL  30           H        VAL  30   1.504   3.034   3.034
  198    HA   VAL  30           HA       VAL  30  -0.301   5.166   5.166
  199    HB   VAL  30           HB       VAL  30   1.786   4.082   4.082
  200   1HG1  VAL  30          2HG1      VAL  30  -0.693   5.775   5.775
  201   2HG1  VAL  30          3HG1      VAL  30   0.307   5.020   5.020
  202   3HG1  VAL  30          1HG1      VAL  30   0.971   6.289   6.289
  203   1HG2  VAL  30          2HG2      VAL  30  -1.108   3.341   3.341
  204   2HG2  VAL  30          3HG2      VAL  30   0.293   2.284   2.284
  205   3HG2  VAL  30          1HG2      VAL  30  -0.320   2.926   2.926
  206    H    MET  31           H        MET  31   3.309   5.235   5.235
  207    HA   MET  31           HA       MET  31   3.687   7.957   7.957
  208   1HB   MET  31          1HB       MET  31   5.198   5.794   5.794
  209   2HB   MET  31          2HB       MET  31   5.687   7.245   7.245
  210   1HG   MET  31          1HG       MET  31   7.058   7.597   7.597
  211   2HG   MET  31          2HG       MET  31   5.635   8.116   8.116
  212   1HE   MET  31          3HE       MET  31   8.393   5.546   5.546
  213   2HE   MET  31          1HE       MET  31   7.871   4.116   4.116
  214   3HE   MET  31          2HE       MET  31   7.049   4.544   4.544
  215    H    GLN  32           H        GLN  32   3.058   6.183   6.183
  216    HA   GLN  32           HA       GLN  32   3.643   8.358   8.358
  217   1HB   GLN  32          1HB       GLN  32   3.151   5.621   5.621
  218   2HB   GLN  32          2HB       GLN  32   1.750   6.350   6.350
  219   1HG   GLN  32          1HG       GLN  32   3.393   6.115   6.115
  220   2HG   GLN  32          2HG       GLN  32   3.464   7.835   7.835
  221   1HE2  GLN  32          2HE2      GLN  32   6.819   7.467   7.467
  222   2HE2  GLN  32          1HE2      GLN  32   5.396   8.505   8.505
  223    H    ASN  33           H        ASN  33   0.551   7.194   7.194
  224    HA   ASN  33           HA       ASN  33  -0.898   9.296   9.296
  225   1HB   ASN  33          1HB       ASN  33  -2.467   8.116   8.116
  226   2HB   ASN  33          2HB       ASN  33  -2.810   8.251   8.251
  227   1HD2  ASN  33          2HD2      ASN  33  -2.121   4.687   4.687
  228   2HD2  ASN  33          1HD2      ASN  33  -2.669   6.099   6.099
  229    H    CYS  34           H        CYS  34  -0.079   8.529   8.529
  230    HA   CYS  34           HA       CYS  34  -1.247  11.059  11.059
  231   1HB   CYS  34          1HB       CYS  34  -2.170   9.426   9.426
  232   2HB   CYS  34          2HB       CYS  34  -2.964   9.530   9.530
  233    H    GLU  35           H        GLU  35  -0.815  10.822  10.822
  234    HA   GLU  35           HA       GLU  35   2.147  11.038  11.038
  235   1HB   GLU  35          1HB       GLU  35   0.580  13.021  13.021
  236   2HB   GLU  35          2HB       GLU  35   0.188  12.471  12.471
  237   1HG   GLU  35          1HG       GLU  35   2.465  12.755  12.755
  238   2HG   GLU  35          2HG       GLU  35   3.083  12.878  12.878
  239    HA   PRO  36           HA       PRO  36   1.614   7.863   7.863
  240   1HB   PRO  36          1HB       PRO  36   3.706   6.233   6.233
  241   2HB   PRO  36          2HB       PRO  36   2.102   6.191   6.191
  242   1HG   PRO  36          1HG       PRO  36   4.621   7.621   7.621
  243   2HG   PRO  36          2HG       PRO  36   3.595   6.519   6.519
  244   1HD   PRO  36          1HD       PRO  36   3.411   9.273   9.273
  245   2HD   PRO  36          2HD       PRO  36   2.004   8.214   8.214
  246    HA   PRO  37           HA       PRO  37   3.374   6.192   6.192
  247   1HB   PRO  37          1HB       PRO  37   3.845   6.251   6.251
  248   2HB   PRO  37          2HB       PRO  37   5.163   6.094   6.094
  249   1HG   PRO  37          1HG       PRO  37   4.225   8.617   8.617
  250   2HG   PRO  37          2HG       PRO  37   5.905   8.031   8.031
  251   1HD   PRO  37          1HD       PRO  37   4.853   9.900   9.900
  252   2HD   PRO  37          2HD       PRO  37   5.958   8.647   8.647
  253    H    PHE  38           H        PHE  38   1.101   5.656   5.656
  254    HA   PHE  38           HA       PHE  38  -0.751   7.257   7.257
  255   1HB   PHE  38          1HB       PHE  38  -1.323   5.478   5.478
  256   2HB   PHE  38          2HB       PHE  38  -0.152   4.351   4.351
  257    HD1  PHE  38          1HD       PHE  38  -0.507   3.313   3.313
  258    HD2  PHE  38          2HD       PHE  38  -3.482   5.307   5.307
  259    HE1  PHE  38          1HE       PHE  38  -2.264   2.447   2.447
  260    HE2  PHE  38          2HE       PHE  38  -5.307   4.418   4.418
  261   1HZ   PHE  38           HZ       PHE  38  -4.655   2.975   2.975
  262    H    SER  39           H        SER  39  -1.280   7.478   7.478
  263    HA   SER  39           HA       SER  39   0.599   6.568   6.568
  264   1HB   SER  39          1HB       SER  39   0.773   9.033   9.033
  265   2HB   SER  39          2HB       SER  39  -0.568   9.365   9.365
  266    HG   SER  39           HG       SER  39   1.920   8.154   8.154

  Start of MODEL   20
    1    HA   ASP   1           HA       ASP   1  -7.920  -8.919  -8.919
    2   1HB   ASP   1          1HB       ASP   1  -5.512  -9.148  -9.148
    3   2HB   ASP   1          2HB       ASP   1  -6.001  -9.572  -9.572
    4    H    GLU   2           H        GLU   2  -7.211  -8.589  -8.589
    5    HA   GLU   2           HA       GLU   2  -8.010  -6.068  -6.068
    6   1HB   GLU   2          1HB       GLU   2  -6.619  -8.297  -8.297
    7   2HB   GLU   2          2HB       GLU   2  -7.546  -6.945  -6.945
    8   1HG   GLU   2          1HG       GLU   2  -9.275  -8.407  -8.407
    9   2HG   GLU   2          2HG       GLU   2  -9.414  -7.944  -7.944
   10    H    CYS   3           H        CYS   3  -4.760  -7.366  -7.366
   11    HA   CYS   3           HA       CYS   3  -3.277  -5.310  -5.310
   12   1HB   CYS   3          1HB       CYS   3  -2.114  -7.279  -7.279
   13   2HB   CYS   3          2HB       CYS   3  -2.683  -7.038  -7.038
   14    H    ALA   4           H        ALA   4  -4.429  -5.625  -5.625
   15    HA   ALA   4           HA       ALA   4  -3.589  -3.031  -3.031
   16   1HB   ALA   4          3HB       ALA   4  -4.252  -4.894  -4.894
   17   2HB   ALA   4          1HB       ALA   4  -5.950  -4.583  -4.583
   18   3HB   ALA   4          2HB       ALA   4  -4.969  -3.319  -3.319
   19    H    ASN   5           H        ASN   5  -6.617  -4.143  -4.143
   20    HA   ASN   5           HA       ASN   5  -7.980  -1.606  -1.606
   21   1HB   ASN   5          1HB       ASN   5  -8.172  -3.861  -3.861
   22   2HB   ASN   5          2HB       ASN   5  -8.940  -2.305  -2.305
   23   1HD2  ASN   5          2HD2      ASN   5 -10.518  -4.768  -4.768
   24   2HD2  ASN   5          1HD2      ASN   5  -8.788  -4.920  -4.920
   25    H    ALA   6           H        ALA   6  -5.674  -2.967  -2.967
   26    HA   ALA   6           HA       ALA   6  -5.681  -0.781  -0.781
   27   1HB   ALA   6          1HB       ALA   6  -4.490  -2.929  -2.929
   28   2HB   ALA   6          2HB       ALA   6  -3.254  -2.490  -2.490
   29   3HB   ALA   6          3HB       ALA   6  -3.485  -1.477  -1.477
   30    H    ALA   7           H        ALA   7  -3.705  -1.350  -1.350
   31    HA   ALA   7           HA       ALA   7  -2.252   1.070   1.070
   32   1HB   ALA   7          3HB       ALA   7  -1.835  -0.823  -0.823
   33   2HB   ALA   7          1HB       ALA   7  -3.257  -0.294  -0.294
   34   3HB   ALA   7          2HB       ALA   7  -1.873   0.788   0.788
   35    H    ALA   8           H        ALA   8  -5.429   0.367   0.367
   36    HA   ALA   8           HA       ALA   8  -5.909   2.991   2.991
   37   1HB   ALA   8          3HB       ALA   8  -7.141   0.953   0.953
   38   2HB   ALA   8          1HB       ALA   8  -7.977   0.948   0.948
   39   3HB   ALA   8          2HB       ALA   8  -8.203   2.297   2.297
   40    H    GLN   9           H        GLN   9  -6.535   1.567   1.567
   41    HA   GLN   9           HA       GLN   9  -7.954   3.845   3.845
   42   1HB   GLN   9          1HB       GLN   9  -8.154   1.482   1.482
   43   2HB   GLN   9          2HB       GLN   9  -6.600   1.646   1.646
   44   1HG   GLN   9          1HG       GLN   9  -7.430   3.278   3.278
   45   2HG   GLN   9          2HG       GLN   9  -8.828   3.668   3.668
   46   1HE2  GLN   9          2HE2      GLN   9  -9.410   1.025   1.025
   47   2HE2  GLN   9          1HE2      GLN   9  -8.248   2.341   2.341
   48    H    CYS  10           H        CYS  10  -4.644   3.181   3.181
   49    HA   CYS  10           HA       CYS  10  -2.721   4.198   4.198
   50   1HB   CYS  10          1HB       CYS  10  -4.559   6.576   6.576
   51   2HB   CYS  10          2HB       CYS  10  -2.846   6.728   6.728
   52    H    SER  11           H        SER  11  -2.920   2.536   2.536
   53    HA   SER  11           HA       SER  11  -1.747   3.916   3.916
   54   1HB   SER  11          1HB       SER  11  -4.104   3.430   3.430
   55   2HB   SER  11          2HB       SER  11  -3.958   1.789   1.789
   56    HG   SER  11           HG       SER  11  -2.232   2.797   2.797
   57    H    ILE  12           H        ILE  12  -0.216   2.921   2.921
   58    HA   ILE  12           HA       ILE  12   1.178   0.956   0.956
   59    HB   ILE  12           HB       ILE  12   1.987   2.765   2.765
   60   1HG1  ILE  12          1HG1      ILE  12   1.400   4.150   4.150
   61   2HG1  ILE  12          2HG1      ILE  12   3.142   4.002   4.002
   62   1HG2  ILE  12          1HG2      ILE  12   3.676   1.031   1.031
   63   2HG2  ILE  12          2HG2      ILE  12   4.312   2.241   2.241
   64   3HG2  ILE  12          3HG2      ILE  12   3.465   0.815   0.815
   65   1HD1  ILE  12          1HD1      ILE  12   2.785   2.130   2.130
   66   2HD1  ILE  12          2HD1      ILE  12   1.154   2.784   2.784
   67   3HD1  ILE  12          3HD1      ILE  12   2.548   3.809   3.809
   68    H    THR  13           H        THR  13  -0.280   1.374   1.374
   69    HA   THR  13           HA       THR  13   0.693  -1.238  -1.238
   70    HB   THR  13           HB       THR  13  -1.545   0.477   0.477
   71    HG1  THR  13          1HG       THR  13   0.148   1.459   1.459
   72   1HG2  THR  13          1HG2      THR  13  -0.267  -2.106  -2.106
   73   2HG2  THR  13          2HG2      THR  13  -1.209  -0.994  -0.994
   74   3HG2  THR  13          3HG2      THR  13  -1.984  -1.818  -1.818
   75    H    LEU  14           H        LEU  14  -2.418  -0.101  -0.101
   76    HA   LEU  14           HA       LEU  14  -3.449  -2.803  -2.803
   77   1HB   LEU  14          1HB       LEU  14  -4.170  -0.379  -0.379
   78   2HB   LEU  14          2HB       LEU  14  -4.853  -1.945  -1.945
   79    HG   LEU  14           HG       LEU  14  -4.909  -0.868  -0.868
   80   1HD1  LEU  14          1HD1      LEU  14  -6.728  -0.038  -0.038
   81   2HD1  LEU  14          2HD1      LEU  14  -7.127   0.168   0.168
   82   3HD1  LEU  14          3HD1      LEU  14  -5.749   1.039   1.039
   83   1HD2  LEU  14          3HD2      LEU  14  -5.612  -3.171  -3.171
   84   2HD2  LEU  14          1HD2      LEU  14  -6.967  -2.186  -2.186
   85   3HD2  LEU  14          2HD2      LEU  14  -6.788  -2.444  -2.444
   86    H    CYS  15           H        CYS  15  -1.244  -1.062  -1.062
   87    HA   CYS  15           HA       CYS  15  -1.086  -3.084  -3.084
   88   1HB   CYS  15          1HB       CYS  15   1.115  -1.286  -1.286
   89   2HB   CYS  15          2HB       CYS  15   1.344  -2.417  -2.417
   90    H    ASN  16           H        ASN  16   1.062  -2.650  -2.650
   91    HA   ASN  16           HA       ASN  16   2.346  -5.102  -5.102
   92   1HB   ASN  16          1HB       ASN  16   1.763  -3.772  -3.772
   93   2HB   ASN  16          2HB       ASN  16   3.104  -4.852  -4.852
   94   1HD2  ASN  16          2HD2      ASN  16   4.152  -1.171  -1.171
   95   2HD2  ASN  16          1HD2      ASN  16   3.148  -2.000  -2.000
   96    H    LEU  17           H        LEU  17  -0.748  -4.511  -4.511
   97    HA   LEU  17           HA       LEU  17  -1.070  -6.793  -6.793
   98   1HB   LEU  17          1HB       LEU  17  -2.586  -4.801  -4.801
   99   2HB   LEU  17          2HB       LEU  17  -3.272  -5.555  -5.555
  100    HG   LEU  17           HG       LEU  17  -4.633  -5.737  -5.737
  101   1HD1  LEU  17          2HD1      LEU  17  -4.675  -7.547  -7.547
  102   2HD1  LEU  17          3HD1      LEU  17  -3.671  -8.545  -8.545
  103   3HD1  LEU  17          1HD1      LEU  17  -5.270  -8.031  -8.031
  104   1HD2  LEU  17          3HD2      LEU  17  -2.854  -5.729  -5.729
  105   2HD2  LEU  17          1HD2      LEU  17  -4.068  -6.991  -6.991
  106   3HD2  LEU  17          2HD2      LEU  17  -2.480  -7.424  -7.424
  107    H    TYR  18           H        TYR  18  -1.395  -6.617  -6.617
  108    HA   TYR  18           HA       TYR  18  -1.473  -9.637  -9.637
  109   1HB   TYR  18          1HB       TYR  18  -3.041  -7.657  -7.657
  110   2HB   TYR  18          2HB       TYR  18  -2.993  -9.389  -9.389
  111    HD1  TYR  18          2HD       TYR  18  -3.337 -10.508 -10.508
  112    HD2  TYR  18          1HD       TYR  18  -5.323  -7.289  -7.289
  113    HE1  TYR  18          2HE       TYR  18  -5.399 -11.002 -11.002
  114    HE2  TYR  18          1HE       TYR  18  -7.439  -7.910  -7.910
  115    HH   TYR  18           HH       TYR  18  -7.615 -10.496 -10.496
  116    H    CYS  19           H        CYS  19   0.102  -6.829  -6.829
  117    HA   CYS  19           HA       CYS  19   0.052  -7.807  -7.807
  118   1HB   CYS  19          1HB       CYS  19   1.645  -5.647  -5.647
  119   2HB   CYS  19          2HB       CYS  19   1.796  -6.038  -6.038
  120    H    GLY  20           H        GLY  20   2.456  -8.596  -8.596
  121   1HA   GLY  20          1HA       GLY  20   4.389  -9.821  -9.821
  122   2HA   GLY  20          2HA       GLY  20   3.620 -10.674 -10.674
  123    HA   PRO  21           HA       PRO  21   7.255  -8.678  -8.678
  124   1HB   PRO  21          1HB       PRO  21   7.018  -9.649  -9.649
  125   2HB   PRO  21          2HB       PRO  21   7.508 -10.692 -10.692
  126   1HG   PRO  21          1HG       PRO  21   4.728 -10.397 -10.397
  127   2HG   PRO  21          2HG       PRO  21   5.606 -11.909 -11.909
  128   1HD   PRO  21          1HD       PRO  21   3.783 -10.864 -10.864
  129   2HD   PRO  21          2HD       PRO  21   5.251 -11.694 -11.694
  130    H    LEU  22           H        LEU  22   3.874  -8.463  -8.463
  131    HA   LEU  22           HA       LEU  22   4.372  -6.158  -6.158
  132   1HB   LEU  22          1HB       LEU  22   1.753  -7.019  -7.019
  133   2HB   LEU  22          2HB       LEU  22   1.997  -5.903  -5.903
  134    HG   LEU  22           HG       LEU  22   2.374  -8.919  -8.919
  135   1HD1  LEU  22          3HD1      LEU  22   0.082  -8.002  -8.002
  136   2HD1  LEU  22          1HD1      LEU  22   0.633  -6.969  -6.969
  137   3HD1  LEU  22          2HD1      LEU  22   0.623  -8.721  -8.721
  138   1HD2  LEU  22          2HD2      LEU  22   3.137  -6.931  -6.931
  139   2HD2  LEU  22          3HD2      LEU  22   4.239  -8.039  -8.039
  140   3HD2  LEU  22          1HD2      LEU  22   2.993  -8.689  -8.689
  141    H    ILE  23           H        ILE  23   4.690  -6.469  -6.469
  142    HA   ILE  23           HA       ILE  23   3.345  -4.133  -4.133
  143    HB   ILE  23           HB       ILE  23   5.937  -5.462  -5.462
  144   1HG1  ILE  23          1HG1      ILE  23   3.210  -5.030  -5.030
  145   2HG1  ILE  23          2HG1      ILE  23   3.639  -6.488  -6.488
  146   1HG2  ILE  23          3HG2      ILE  23   4.557  -3.012  -3.012
  147   2HG2  ILE  23          1HG2      ILE  23   5.851  -3.914  -3.914
  148   3HG2  ILE  23          2HG2      ILE  23   6.194  -3.045  -3.045
  149   1HD1  ILE  23          3HD1      ILE  23   5.407  -6.997  -6.997
  150   2HD1  ILE  23          1HD1      ILE  23   4.871  -5.607  -5.607
  151   3HD1  ILE  23          2HD1      ILE  23   3.779  -6.967  -6.967
  152    H    GLU  24           H        GLU  24   6.492  -4.550  -4.550
  153    HA   GLU  24           HA       GLU  24   7.126  -1.791  -1.791
  154   1HB   GLU  24          1HB       GLU  24   8.724  -3.718  -3.718
  155   2HB   GLU  24          2HB       GLU  24   7.776  -4.045  -4.045
  156   1HG   GLU  24          1HG       GLU  24   8.354  -1.622  -1.622
  157   2HG   GLU  24          2HG       GLU  24   9.530  -1.627  -1.627
  158    H    ILE  25           H        ILE  25   5.636  -3.702  -3.702
  159    HA   ILE  25           HA       ILE  25   5.205  -1.566  -1.566
  160    HB   ILE  25           HB       ILE  25   3.768  -4.191  -4.191
  161   1HG1  ILE  25          1HG1      ILE  25   4.712  -4.924  -4.924
  162   2HG1  ILE  25          2HG1      ILE  25   5.388  -3.325  -3.325
  163   1HG2  ILE  25          3HG2      ILE  25   3.088  -2.257  -2.257
  164   2HG2  ILE  25          1HG2      ILE  25   2.585  -3.954  -3.954
  165   3HG2  ILE  25          2HG2      ILE  25   2.014  -2.826  -2.826
  166   1HD1  ILE  25          1HD1      ILE  25   6.251  -5.161  -5.161
  167   2HD1  ILE  25          2HD1      ILE  25   7.062  -5.018  -5.018
  168   3HD1  ILE  25          3HD1      ILE  25   7.027  -3.627  -3.627
  169    H    CYS  26           H        CYS  26   3.366  -2.560  -2.560
  170    HA   CYS  26           HA       CYS  26   1.016  -0.952  -0.952
  171   1HB   CYS  26          1HB       CYS  26   1.197  -3.029  -3.029
  172   2HB   CYS  26          2HB       CYS  26   2.003  -2.126  -2.126
  173    H    GLU  27           H        GLU  27   4.012  -0.726  -0.726
  174    HA   GLU  27           HA       GLU  27   3.391   1.752   1.752
  175   1HB   GLU  27          1HB       GLU  27   5.390  -0.029  -0.029
  176   2HB   GLU  27          2HB       GLU  27   6.190   0.941   0.941
  177   1HG   GLU  27          1HG       GLU  27   5.899   2.937   2.937
  178   2HG   GLU  27          2HG       GLU  27   4.931   1.991   1.991
  179    H    LEU  28           H        LEU  28   5.004   0.829   0.829
  180    HA   LEU  28           HA       LEU  28   5.858   3.357   3.357
  181   1HB   LEU  28          1HB       LEU  28   5.708   0.564   0.564
  182   2HB   LEU  28          2HB       LEU  28   5.418   1.648   1.648
  183    HG   LEU  28           HG       LEU  28   7.733   1.026   1.026
  184   1HD1  LEU  28          1HD1      LEU  28   6.951   3.397   3.397
  185   2HD1  LEU  28          2HD1      LEU  28   7.655   3.977   3.977
  186   3HD1  LEU  28          3HD1      LEU  28   8.666   3.141   3.141
  187   1HD2  LEU  28          3HD2      LEU  28   7.840   0.702   0.702
  188   2HD2  LEU  28          1HD2      LEU  28   9.152   1.744   1.744
  189   3HD2  LEU  28          2HD2      LEU  28   7.771   2.454   2.454
  190    H    THR  29           H        THR  29   2.960   1.487   1.487
  191    HA   THR  29           HA       THR  29   1.913   3.393   3.393
  192    HB   THR  29           HB       THR  29   0.433   1.530   1.530
  193    HG1  THR  29          1HG       THR  29   1.988   0.494   0.494
  194   1HG2  THR  29          2HG2      THR  29  -0.452   2.698   2.698
  195   2HG2  THR  29          3HG2      THR  29  -1.358   1.515   1.515
  196   3HG2  THR  29          1HG2      THR  29  -1.099   3.157   3.157
  197    H    VAL  30           H        VAL  30   1.456   3.082   3.082
  198    HA   VAL  30           HA       VAL  30  -0.227   5.406   5.406
  199    HB   VAL  30           HB       VAL  30   1.518   3.882   3.882
  200   1HG1  VAL  30          3HG1      VAL  30   0.994   6.162   6.162
  201   2HG1  VAL  30          1HG1      VAL  30  -0.723   5.835   5.835
  202   3HG1  VAL  30          2HG1      VAL  30   0.214   4.873   4.873
  203   1HG2  VAL  30          2HG2      VAL  30  -1.453   3.806   3.806
  204   2HG2  VAL  30          3HG2      VAL  30  -0.316   2.526   2.526
  205   3HG2  VAL  30          1HG2      VAL  30  -0.680   2.895   2.895
  206    H    MET  31           H        MET  31   3.307   4.958   4.958
  207    HA   MET  31           HA       MET  31   4.044   7.584   7.584
  208   1HB   MET  31          1HB       MET  31   5.327   5.212   5.212
  209   2HB   MET  31          2HB       MET  31   5.797   6.188   6.188
  210   1HG   MET  31          1HG       MET  31   6.654   7.893   7.893
  211   2HG   MET  31          2HG       MET  31   6.102   7.005   7.005
  212   1HE   MET  31          2HE       MET  31   7.193   4.882   4.882
  213   2HE   MET  31          3HE       MET  31   6.864   3.971   3.971
  214   3HE   MET  31          1HE       MET  31   8.493   3.958   3.958
  215    H    GLN  32           H        GLN  32   3.272   6.122   6.122
  216    HA   GLN  32           HA       GLN  32   4.030   8.303   8.303
  217   1HB   GLN  32          1HB       GLN  32   3.572   5.786   5.786
  218   2HB   GLN  32          2HB       GLN  32   1.917   6.354   6.354
  219   1HG   GLN  32          1HG       GLN  32   2.746   8.101   8.101
  220   2HG   GLN  32          2HG       GLN  32   4.396   7.480   7.480
  221   1HE2  GLN  32          2HE2      GLN  32   3.745   4.460   4.460
  222   2HE2  GLN  32          1HE2      GLN  32   4.676   5.054   5.054
  223    H    ASN  33           H        ASN  33   0.934   7.432   7.432
  224    HA   ASN  33           HA       ASN  33  -0.358   9.781   9.781
  225   1HB   ASN  33          1HB       ASN  33  -2.170   8.552   8.552
  226   2HB   ASN  33          2HB       ASN  33  -0.959   7.246   7.246
  227   1HD2  ASN  33          2HD2      ASN  33  -2.327   5.532   5.532
  228   2HD2  ASN  33          1HD2      ASN  33  -0.789   5.926   5.926
  229    H    CYS  34           H        CYS  34   0.679   8.941   8.941
  230    HA   CYS  34           HA       CYS  34  -1.058  10.821  10.821
  231   1HB   CYS  34          1HB       CYS  34  -0.631   7.874   7.874
  232   2HB   CYS  34          2HB       CYS  34  -1.191   9.027   9.027
  233    H    GLU  35           H        GLU  35   0.147  10.900  10.900
  234    HA   GLU  35           HA       GLU  35   3.089  10.576  10.576
  235   1HB   GLU  35          1HB       GLU  35   2.340  12.963  12.963
  236   2HB   GLU  35          2HB       GLU  35   1.912  12.768  12.768
  237   1HG   GLU  35          1HG       GLU  35   4.266  11.996  11.996
  238   2HG   GLU  35          2HG       GLU  35   4.621  12.158  12.158
  239    HA   PRO  36           HA       PRO  36   1.807   7.984   7.984
  240   1HB   PRO  36          1HB       PRO  36   3.466   5.843   5.843
  241   2HB   PRO  36          2HB       PRO  36   1.877   6.089   6.089
  242   1HG   PRO  36          1HG       PRO  36   4.663   6.741   6.741
  243   2HG   PRO  36          2HG       PRO  36   3.362   5.913   5.913
  244   1HD   PRO  36          1HD       PRO  36   3.939   8.601   8.601
  245   2HD   PRO  36          2HD       PRO  36   2.279   7.992   7.992
  246    HA   PRO  37           HA       PRO  37   2.958   6.028   6.028
  247   1HB   PRO  37          1HB       PRO  37   3.218   6.113   6.113
  248   2HB   PRO  37          2HB       PRO  37   4.568   5.664   5.664
  249   1HG   PRO  37          1HG       PRO  37   4.079   8.377   8.377
  250   2HG   PRO  37          2HG       PRO  37   5.587   7.421   7.421
  251   1HD   PRO  37          1HD       PRO  37   5.126   9.375   9.375
  252   2HD   PRO  37          2HD       PRO  37   5.988   7.868   7.868
  253    H    PHE  38           H        PHE  38   0.611   5.875   5.875
  254    HA   PHE  38           HA       PHE  38  -0.747   8.366   8.366
  255   1HB   PHE  38          1HB       PHE  38  -1.839   7.194   7.194
  256   2HB   PHE  38          2HB       PHE  38  -1.386   5.667   5.667
  257    HD1  PHE  38          1HD       PHE  38  -2.501   4.743   4.743
  258    HD2  PHE  38          2HD       PHE  38  -3.943   8.134   8.134
  259    HE1  PHE  38          1HE       PHE  38  -4.802   4.281   4.281
  260    HE2  PHE  38          2HE       PHE  38  -6.262   7.657   7.657
  261   1HZ   PHE  38           HZ       PHE  38  -6.689   5.715   5.715
  262    H    SER  39           H        SER  39  -2.193   8.353   8.353
  263    HA   SER  39           HA       SER  39  -0.924   7.417   7.417
  264   1HB   SER  39          1HB       SER  39  -3.164   8.626   8.626
  265   2HB   SER  39          2HB       SER  39  -1.768   9.522   9.522
  266    HG   SER  39           HG       SER  39  -4.142   8.900   8.900