*HEADER    ANTIBIOTIC                              29-MAY-13   2M8V              
*TITLE     SOLUTION STRUCTURE AND ACTIVITY STUDY OF BOVICIN HJ50, A PARTICULAR   
*TITLE    2 TYPE AII LANTIBIOTIC                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BOVA;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 26-58;                                        
*COMPND   5 SYNONYM: BOVICIN HJ50;                                               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS EQUINUS;                          
*SOURCE   3 ORGANISM_TAXID: 1335;                                                
*SOURCE   4 STRAIN: HJ50;                                                        
*SOURCE   5 GENE: BOVA;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-BOVAM                                  
*KEYWDS    LANTIBIOTIC, ANTIBIOTIC                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.ZHANG, Y.FENG, J.WANG, J.ZHONG                                      
*REVDAT   1   21-MAY-14 2M8V    0                                                


assign (resid 30 and name HE2) (resid 30 and name HD1) 2.72 0.92 0.92  !ambig!     noe.325
    or (resid 30 and name HE1) (resid 30 and name HD2)                 !!     noe.325
    or (resid 30 and name HE1) (resid 30 and name HD1)                 !!     noe.325
    or (resid 30 and name HE2) (resid 30 and name HD2)                 !!     noe.325
assign (resid 30 and name HE1) (resid 30 and name HG2) 3.60 1.80 1.80  !ambig!     noe.386
    or (resid 30 and name HE1) (resid 30 and name HG1)                 !!     noe.386
    or (resid 30 and name HE2) (resid 30 and name HG2)                 !!     noe.386
    or (resid 30 and name HE2) (resid 30 and name HG1)                 !!     noe.386
assign (resid 9 and name HG) (resid 9 and name HD1#) 2.27 0.47 0.47  !ambig!     noe.357
    or (resid 9 and name HG) (resid 9 and name HD2#)                 !!     noe.357
    or (resid 9 and name HB1) (resid 9 and name HD2#)                 !!     noe.357
assign (resid 14 and name HD1) (resid 14 and name HG1) 2.81 1.01 1.01  !ambig!     noe.390
    or (resid 14 and name HD1) (resid 14 and name HG2)                 !!     noe.390
    or (resid 14 and name HD1) (resid 14 and name HB2)                 !!     noe.390
assign (resid 26 and name HG11) (resid 26 and name HB) 2.73 0.93 0.93  !ambig!     noe.353
    or (resid 25 and name HG11) (resid 25 and name HB)                 !!     noe.353
assign (resid 25 and name HB) (resid 26 and name HN) 2.46 0.66 0.66  !ambig!     noe.236
    or (resid 26 and name HB) (resid 26 and name HN)                 !!     noe.236
assign (resid 26 and name HN) (resid 26 and name HA) 2.36 0.56 0.56  !ambig!     noe.30
    or (resid 26 and name HN) (resid 25 and name HA)                 !!     noe.30
    or (resid 28 and name HN) (resid 27 and name HB)                 !!     noe.30
assign (resid 25 and name HN) (resid 24 and name HB) 2.48 0.68 0.68  !ambig!     noe.29
    or (resid 25 and name HN) (resid 25 and name HA)                 !!     noe.29
    or (resid 24 and name HN) (resid 24 and name HB)                 !!     noe.29
assign (resid 30 and name HD2) (resid 30 and name HN) 3.65 1.85 1.85  !ambig!     noe.243
    or (resid 30 and name HD1) (resid 30 and name HN)                 !!     noe.243
assign (resid 7 and name HB2) (resid 7 and name HN) 2.75 0.95 0.95  !ambig!     noe.244
    or (resid 7 and name HB1) (resid 7 and name HN)                 !!     noe.244
assign (resid 7 and name HB1) (resid 8 and name HN) 3.22 1.42 1.42  !ambig!     noe.239
    or (resid 7 and name HB2) (resid 8 and name HN)                 !!     noe.239
assign (resid 11 and name HB2) (resid 12 and name HN) 3.65 1.85 1.85  !ambig!     noe.240
    or (resid 11 and name HB1) (resid 12 and name HN)                 !!     noe.240
assign (resid 30 and name HB1) (resid 30 and name HN) 2.80 1.00 1.00  !intra!     noe.242
assign (resid 25 and name HD1#) (resid 26 and name HN) 3.65 1.85 1.85  !ambig!     noe.280
    or (resid 26 and name HD1#) (resid 26 and name HN)                 !!     noe.280
assign (resid 16 and name HG2#) (resid 17 and name HN) 3.20 1.40 1.40  !ambig!     noe.276
    or (resid 16 and name HG1#) (resid 17 and name HN)                 !!     noe.276
assign (resid 14 and name HB2) (resid 14 and name HD2) 2.70 0.90 0.90  !intra!     noe.297
assign (resid 17 and name HB) (resid 17 and name HA) 2.50 0.70 0.70  !ambig!     noe.296
    or (resid 20 and name HB) (resid 20 and name HA)                 !!     noe.296
assign (resid 26 and name HB) (resid 26 and name HA) 2.51 0.71 0.71  !ambig!     noe.295
    or (resid 25 and name HB) (resid 25 and name HA)                 !!     noe.295
assign (resid 24 and name HG2#) (resid 24 and name HN) 2.82 1.02 1.02  !ambig!     noe.263
    or (resid 24 and name HG2#) (resid 25 and name HN)                 !!     noe.263
assign (resid 28 and name HB#) (resid 28 and name HN) 2.53 0.73 0.73  !ambig!     noe.262
    or (resid 22 and name HB#) (resid 22 and name HN)                 !!     noe.262
assign (resid 9 and name HD2#) (resid 10 and name HN) 3.65 1.85 1.85  !ambig!     noe.272
    or (resid 9 and name HD1#) (resid 10 and name HN)                 !!     noe.272
assign (resid 27 and name HG2#) (resid 27 and name HN) 3.26 1.46 1.46  !ambig!     noe.271
    or (resid 26 and name HG11) (resid 27 and name HN)                 !!     noe.271
assign (resid 6 and name HG11) (resid 6 and name HN) 3.36 1.56 1.56  !intra!     noe.267
assign (resid 28 and name HN) (resid 27 and name HG2#) 2.88 1.08 1.08  !seq!     noe.126
assign (resid 15 and name HN) (resid 16 and name HG1#) 3.58 1.78 1.78  !ambig!     noe.133
    or (resid 15 and name HN) (resid 16 and name HG2#)                 !!     noe.133
assign (resid 11 and name HN) (resid 11 and name HG1) 3.45 1.65 1.65  !ambig!     noe.105
    or (resid 11 and name HN) (resid 11 and name HG2)                 !!     noe.105
assign (resid 30 and name HN) (resid 30 and name HG1) 3.03 1.23 1.23  !ambig!     noe.119
    or (resid 30 and name HN) (resid 30 and name HG2)                 !!     noe.119
assign (resid 9 and name HN) (resid 9 and name HG) 2.92 1.12 1.12  !ambig!     noe.115
    or (resid 9 and name HN) (resid 9 and name HB1)                 !!     noe.115
assign (resid 26 and name HN) (resid 26 and name HG2#) 2.76 0.96 0.96  !ambig!     noe.139
    or (resid 26 and name HN) (resid 25 and name HG2#)                 !!     noe.139
assign (resid 15 and name HB1) (resid 15 and name HD22) 3.30 1.50 1.50  !ambig!     noe.225
    or (resid 31 and name HB2) (resid 31 and name HD22)                 !!     noe.225
assign (resid 12 and name HB2) (resid 13 and name HN) 2.89 1.09 1.09  !ambig!     noe.222
    or (resid 13 and name HB2) (resid 13 and name HN)                 !!     noe.222
assign (resid 15 and name HB1) (resid 15 and name HD21) 2.98 1.18 1.18  !intra!     noe.219
assign (resid 30 and name HB2) (resid 30 and name HN) 3.03 1.23 1.23  !intra!     noe.232
assign (resid 11 and name HD2) (resid 11 and name HN) 3.65 1.85 1.85  !ambig!     noe.228
    or (resid 11 and name HD1) (resid 11 and name HN)                 !!     noe.228
assign (resid 11 and name HB2) (resid 11 and name HN) 3.13 1.33 1.33  !ambig!     noe.227
    or (resid 11 and name HB1) (resid 11 and name HN)                 !!     noe.227
assign (resid 27 and name HN) (resid 28 and name HN) 2.83 1.03 1.03  !ambig!     noe.153
    or (resid 27 and name HN) (resid 26 and name HN)                 !!     noe.153
assign (resid 16 and name HN) (resid 16 and name HG2#) 2.78 0.98 0.98  !ambig!     noe.144
    or (resid 16 and name HN) (resid 16 and name HG1#)                 !!     noe.144
!assign (resid 15 and name HD22) (resid 15 and name HD21) 2.09 0.29 0.29  !geminal!     noe.176
assign (resid 17 and name HD1#) (resid 17 and name HG12) 2.46 0.66 0.66  !ambig!     noe.404
    or (resid 20 and name HD1#) (resid 20 and name HG11)                 !!     noe.404
assign (resid 26 and name HD1#) (resid 26 and name HB) 2.84 1.04 1.04  !ambig!     noe.401
    or (resid 25 and name HD1#) (resid 25 and name HB)                 !!     noe.401
assign (resid 20 and name HG2#) (resid 20 and name HG12) 2.63 0.83 0.83  !ambig!     noe.405
    or (resid 17 and name HG2#) (resid 17 and name HG11)                 !!     noe.405
assign (resid 30 and name HB1) (resid 30 and name HG2) 2.69 0.89 0.89  !ambig!     noe.410
    or (resid 30 and name HB1) (resid 30 and name HG1)                 !!     noe.410
assign (resid 20 and name HG12) (resid 20 and name HB) 2.52 0.72 0.72  !ambig!     noe.408
    or (resid 17 and name HG11) (resid 17 and name HB)                 !!     noe.408
assign (resid 11 and name HE2) (resid 11 and name HG2) 3.33 1.53 1.53  !ambig!     noe.388
    or (resid 11 and name HE1) (resid 11 and name HG1)                 !!     noe.388
assign (resid 13 and name HB2) (resid 9 and name HD2#) 3.59 1.79 1.79  !ambig!     noe.384
    or (resid 13 and name HB2) (resid 9 and name HD1#)                 !!     noe.384
assign (resid 30 and name HB2) (resid 30 and name HG1) 2.67 0.87 0.87  !ambig!     noe.397
    or (resid 30 and name HB2) (resid 30 and name HG2)                 !!     noe.397
assign (resid 9 and name HB2) (resid 9 and name HD1#) 2.66 0.86 0.86  !ambig!     noe.412
    or (resid 9 and name HB2) (resid 9 and name HD2#)                 !!     noe.412
assign (resid 30 and name HD1) (resid 30 and name HA) 3.64 1.84 1.84  !ambig!     noe.466
    or (resid 30 and name HD2) (resid 30 and name HA)                 !!     noe.466
assign (resid 20 and name HG2#) (resid 20 and name HA) 2.53 0.73 0.73  !ambig!     noe.456
    or (resid 17 and name HG2#) (resid 17 and name HA)                 !!     noe.456
assign (resid 11 and name HB1) (resid 11 and name HA) 2.80 1.00 1.00  !ambig!     noe.468
    or (resid 11 and name HB2) (resid 11 and name HA)                 !!     noe.468
assign (resid 25 and name HN) (resid 22 and name HB#) 3.51 1.71 1.71  !ambig!     noe.476
    or (resid 24 and name HN) (resid 22 and name HB#)                 !!     noe.476
assign (resid 11 and name HG2) (resid 11 and name HA) 3.26 1.46 1.46  !ambig!     noe.469
    or (resid 11 and name HG1) (resid 11 and name HA)                 !!     noe.469
assign (resid 16 and name HG1#) (resid 16 and name HA) 2.68 0.88 0.88  !ambig!     noe.454
    or (resid 16 and name HG2#) (resid 16 and name HA)                 !!     noe.454
assign (resid 12 and name HN) (resid 11 and name HG1) 3.65 1.85 1.85  !ambig!     noe.439
    or (resid 12 and name HN) (resid 11 and name HG2)                 !!     noe.439
assign (resid 31 and name HN) (resid 30 and name HG2) 3.28 1.48 1.48  !ambig!     noe.442
    or (resid 31 and name HN) (resid 30 and name HG1)                 !!     noe.442
assign (resid 26 and name HG2#) (resid 26 and name HA) 2.60 0.80 0.80  !ambig!     noe.453
    or (resid 25 and name HG2#) (resid 25 and name HA)                 !!     noe.453
assign (resid 8 and name HN) (resid 9 and name HD1#) 3.65 1.85 1.85  !ambig!     noe.446
    or (resid 8 and name HN) (resid 9 and name HD2#)                 !!     noe.446
assign (resid 14 and name HD2) (resid 14 and name HG2) 2.60 0.80 0.80  !ambig!     noe.329
    or (resid 14 and name HD2) (resid 14 and name HG1)                 !!     noe.329
assign (resid 15 and name HB1) (resid 16 and name HG2#) 3.18 1.38 1.38  !ambig!     noe.328
    or (resid 15 and name HB1) (resid 16 and name HG1#)                 !!     noe.328
assign (resid 16 and name HB) (resid 16 and name HG2#) 2.48 0.68 0.68  !ambig!     noe.332
    or (resid 16 and name HB) (resid 16 and name HG1#)                 !!     noe.332
assign (resid 26 and name HB) (resid 26 and name HG2#) 2.38 0.58 0.58  !ambig!     noe.333
    or (resid 25 and name HB) (resid 25 and name HG2#)                 !!     noe.333
assign (resid 16 and name HG2#) (resid 8 and name HB) 3.60 1.80 1.80  !ambig!     noe.326
    or (resid 16 and name HG1#) (resid 8 and name HB)                 !!     noe.326
assign (resid 7 and name HB1) (resid 7 and name HA) 2.79 0.99 0.99  !ambig!     noe.307
    or (resid 7 and name HB2) (resid 7 and name HA)                 !!     noe.307
assign (resid 22 and name HB#) (resid 22 and name HA) 2.39 0.59 0.59  !ambig!     noe.305
    or (resid 28 and name HB#) (resid 28 and name HA)                 !!     noe.305
assign (resid 14 and name HB2) (resid 14 and name HA) 2.67 0.87 0.87  !ambig!     noe.310
    or (resid 14 and name HG1) (resid 14 and name HA)                 !!     noe.310
assign (resid 21 and name HB2) (resid 16 and name HG2#) 2.88 1.08 1.08  !ambig!     noe.322
    or (resid 21 and name HB2) (resid 16 and name HG1#)                 !!     noe.322
assign (resid 32 and name HB2) (resid 32 and name HA) 2.56 0.76 0.76  !ambig!     noe.320
    or (resid 12 and name HB2) (resid 12 and name HA)                 !!     noe.320
assign (resid 25 and name HG12) (resid 25 and name HB) 2.61 0.81 0.81  !ambig!     noe.354
    or (resid 26 and name HG12) (resid 26 and name HB)                 !!     noe.354
assign (resid 17 and name HG12) (resid 17 and name HB) 2.63 0.83 0.83  !ambig!     noe.352
    or (resid 20 and name HG11) (resid 20 and name HB)                 !!     noe.352
assign (resid 17 and name HB) (resid 18 and name HN) 2.84 1.04 1.04  !seq!     noe.364
assign (resid 25 and name HG11) (resid 25 and name HN) 2.83 1.03 1.03  !ambig!     noe.365
    or (resid 26 and name HG11) (resid 26 and name HN)                 !!     noe.365
assign (resid 17 and name HD1#) (resid 17 and name HB) 2.75 0.95 0.95  !ambig!     noe.350
    or (resid 20 and name HD1#) (resid 20 and name HB)                 !!     noe.350
assign (resid 20 and name HB) (resid 20 and name HG2#) 2.34 0.54 0.54  !ambig!     noe.338
    or (resid 17 and name HB) (resid 17 and name HG2#)                 !!     noe.338
assign (resid 16 and name HG2#) (resid 13 and name HB1) 3.03 1.23 1.23  !ambig!     noe.347
    or (resid 16 and name HG1#) (resid 13 and name HB1)                 !!     noe.347
assign (resid 28 and name HN) (resid 29 and name HB1) 3.55 1.75 1.75  !seq!     noe.70
assign (resid 20 and name HN) (resid 19 and name HB1) 2.81 1.01 1.01  !ambig!     noe.55
    or (resid 20 and name HN) (resid 19 and name HB2)                 !!     noe.55
assign (resid 19 and name HN) (resid 18 and name HA) 2.45 0.65 0.65  !ambig!     noe.19
    or (resid 19 and name HN) (resid 19 and name HA)                 !!     noe.19
assign (resid 32 and name HN) (resid 31 and name HA) 2.56 0.76 0.76  !ambig!     noe.5
    or (resid 21 and name HN) (resid 21 and name HA)                 !!     noe.5
assign (resid 31 and name HD22) (resid 31 and name HB1) 3.22 1.42 1.42  !intra!     noe.91
assign (resid 5 and name HN) (resid 4 and name HA2) 2.92 1.12 1.12  !ambig!     noe.57
    or (resid 5 and name HN) (resid 4 and name HA1)                 !!     noe.57
assign (resid 4 and name HN) (resid 4 and name HA2) 2.90 1.10 1.10  !ambig!     noe.56
    or (resid 4 and name HN) (resid 4 and name HA1)                 !!     noe.56
assign (resid 27 and name HN) (resid 26 and name HA) 2.47 0.67 0.67  !ambig!     noe.31
    or (resid 27 and name HN) (resid 27 and name HB)                 !!     noe.31
assign (resid 32 and name HN) (resid 31 and name HB2) 2.81 1.01 1.01  !seq!     noe.73
assign (resid 18 and name HN) (resid 17 and name HA) 2.48 0.68 0.68  !seq!     noe.35
assign (resid 21 and name HN) (resid 20 and name HA) 2.57 0.77 0.77  !seq!     noe.33
assign (resid 20 and name HD1#) (resid 20 and name HG12) 2.34 0.54 0.54  !intra!     noe.351
assign (resid 20 and name HN) (resid 20 and name HA) 2.68 0.88 0.88  !intra!     noe.34
assign (resid 6 and name HG2#) (resid 6 and name HA) 3.20 1.40 1.40  !intra!     noe.340
assign (resid 24 and name HN) (resid 23 and name HA1) 2.68 0.88 0.88  !seq!     noe.38
assign (resid 11 and name HD1) (resid 11 and name HE2) 2.82 1.02 1.02  !intra!     noe.339
assign (resid 23 and name HN) (resid 23 and name HA1) 2.73 0.93 0.93  !intra!     noe.37
assign (resid 17 and name HN) (resid 16 and name HA) 2.49 0.69 0.69  !seq!     noe.36
assign (resid 8 and name HG21) (resid 8 and name HB) 2.61 0.81 0.81  !intra!     noe.346
assign (resid 27 and name HG2#) (resid 27 and name HA) 2.91 1.11 1.11  !intra!     noe.370
assign (resid 33 and name HB#) (resid 33 and name HA) 3.65 1.85 1.85  !intra!     noe.371
assign (resid 28 and name HN) (resid 28 and name HA) 2.53 0.73 0.73  !intra!     noe.25
assign (resid 15 and name HB1) (resid 15 and name HA) 2.63 0.83 0.83  !intra!     noe.375
assign (resid 15 and name HB2) (resid 15 and name HA) 2.72 0.92 0.92  !intra!     noe.376
assign (resid 13 and name HB1) (resid 8 and name HA) 3.33 1.53 1.53  !long!     noe.374
assign (resid 14 and name HG2) (resid 14 and name HA) 3.04 1.24 1.24  !intra!     noe.372
assign (resid 32 and name HB2) (resid 31 and name HA) 3.09 1.29 1.29  !seq!     noe.373
assign (resid 29 and name HN) (resid 28 and name HA) 2.66 0.86 0.86  !seq!     noe.26
assign (resid 28 and name HN) (resid 27 and name HA) 2.72 0.92 0.92  !seq!     noe.358
assign (resid 8 and name HN) (resid 8 and name HB) 3.65 1.85 1.85  !intra!     noe.359
assign (resid 7 and name HN) (resid 7 and name HA) 3.01 1.21 1.21  !intra!     noe.28
assign (resid 4 and name HN) (resid 3 and name HA) 2.99 1.19 1.19  !seq!     noe.32
assign (resid 32 and name HN) (resid 32 and name HB1) 3.06 1.26 1.26  !intra!     noe.363
assign (resid 8 and name HN) (resid 7 and name HA) 2.68 0.88 0.88  !seq!     noe.27
assign (resid 19 and name HN) (resid 19 and name HB2) 2.93 1.13 1.13  !intra!     noe.362
assign (resid 15 and name HN) (resid 14 and name HD2) 3.65 1.85 1.85  !seq!     noe.360
assign (resid 18 and name HN) (resid 18 and name HB1) 2.95 1.15 1.15  !intra!     noe.361
assign (resid 13 and name HB2) (resid 13 and name HA) 2.91 1.11 1.11  !intra!     noe.311
assign (resid 13 and name HB1) (resid 13 and name HA) 2.88 1.08 1.08  !intra!     noe.312
assign (resid 24 and name HN) (resid 23 and name HA2) 2.74 0.94 0.94  !seq!     noe.53
assign (resid 30 and name HB1) (resid 30 and name HA) 2.81 1.01 1.01  !intra!     noe.308
assign (resid 30 and name HB2) (resid 30 and name HA) 2.76 0.96 0.96  !intra!     noe.309
assign (resid 10 and name HB) (resid 10 and name HA) 2.60 0.80 0.80  !intra!     noe.316
assign (resid 21 and name HB1) (resid 21 and name HA) 2.57 0.77 0.77  !intra!     noe.317
assign (resid 32 and name HB1) (resid 32 and name HA) 2.65 0.85 0.85  !intra!     noe.315
assign (resid 21 and name HB2) (resid 21 and name HA) 2.62 0.82 0.82  !intra!     noe.313
assign (resid 29 and name HB1) (resid 29 and name HA) 2.69 0.89 0.89  !intra!     noe.314
assign (resid 9 and name HB1) (resid 9 and name HA) 2.96 1.16 1.16  !intra!     noe.299
assign (resid 8 and name HG21) (resid 8 and name HA) 2.68 0.88 0.88  !intra!     noe.300
assign (resid 9 and name HB2) (resid 9 and name HA) 3.04 1.24 1.24  !intra!     noe.298
assign (resid 16 and name HB) (resid 16 and name HA) 2.84 1.04 1.04  !intra!     noe.294
assign (resid 18 and name HN) (resid 18 and name HB2) 2.84 1.04 1.04  !intra!     noe.58
assign (resid 27 and name HG2#) (resid 27 and name HB) 2.71 0.91 0.91  !intra!     noe.304
assign (resid 19 and name HN) (resid 19 and name HB1) 2.72 0.92 0.92  !intra!     noe.54
assign (resid 24 and name HG2#) (resid 24 and name HB) 2.61 0.81 0.81  !intra!     noe.303
assign (resid 10 and name HG21) (resid 10 and name HA) 2.94 1.14 1.14  !intra!     noe.301
assign (resid 24 and name HG2#) (resid 24 and name HA) 2.84 1.04 1.04  !intra!     noe.302
!assign (resid 14 and name HB1) (resid 14 and name HB2) 2.20 0.40 0.40  !geminal!     noe.331
assign (resid 16 and name HN) (resid 16 and name HA) 2.78 0.98 0.98  !intra!     noe.46
assign (resid 15 and name HN) (resid 14 and name HD1) 3.24 1.44 1.44  !seq!     noe.48
assign (resid 11 and name HN) (resid 11 and name HA) 3.13 1.33 1.33  !intra!     noe.47
assign (resid 15 and name HD21) (resid 15 and name HA) 3.65 1.85 1.85  !intra!     noe.42
assign (resid 16 and name HN) (resid 15 and name HA) 2.68 0.88 0.88  !seq!     noe.41
assign (resid 5 and name HE3) (resid 5 and name HA) 3.63 1.83 1.83  !intra!     noe.43
assign (resid 13 and name HN) (resid 12 and name HA) 3.39 1.59 1.59  !seq!     noe.45
assign (resid 5 and name HD1) (resid 5 and name HA) 3.47 1.67 1.67  !intra!     noe.44
assign (resid 10 and name HB) (resid 10 and name HG21) 2.79 0.99 0.99  !intra!     noe.321
assign (resid 6 and name HN) (resid 6 and name HA) 3.23 1.43 1.43  !intra!     noe.51
assign (resid 23 and name HN) (resid 23 and name HA2) 2.58 0.78 0.78  !intra!     noe.52
assign (resid 29 and name HB2) (resid 29 and name HA) 2.60 0.80 0.80  !intra!     noe.318
assign (resid 14 and name HD2) (resid 13 and name HA) 2.85 1.05 1.05  !seq!     noe.319
assign (resid 12 and name HN) (resid 11 and name HA) 3.02 1.22 1.22  !seq!     noe.49
assign (resid 32 and name HB2) (resid 10 and name HG21) 3.27 1.47 1.47  !long!     noe.327
assign (resid 7 and name HN) (resid 6 and name HA) 2.59 0.79 0.79  !seq!     noe.50
assign (resid 32 and name HB1) (resid 10 and name HG21) 3.23 1.43 1.43  !long!     noe.323
assign (resid 13 and name HB1) (resid 8 and name HG21) 2.95 1.15 1.15  !long!     noe.324
assign (resid 31 and name HB1) (resid 31 and name HA) 2.90 1.10 1.10  !intra!     noe.377
assign (resid 10 and name HN) (resid 9 and name HA) 2.63 0.83 0.83  !seq!     noe.7
assign (resid 14 and name HD2) (resid 14 and name HB1) 3.34 1.54 1.54  !intra!     noe.447
assign (resid 7 and name HN) (resid 7 and name HG1) 3.43 1.63 1.63  !intra!     noe.445
assign (resid 21 and name HN) (resid 22 and name HB#) 3.65 1.85 1.85  !seq!     noe.443
assign (resid 21 and name HN) (resid 20 and name HG12) 3.43 1.63 1.63  !seq!     noe.444
assign (resid 22 and name HB#) (resid 21 and name HB1) 3.65 1.85 1.85  !seq!     noe.452
assign (resid 22 and name HN) (resid 21 and name HA) 2.62 0.82 0.82  !seq!     noe.6
assign (resid 16 and name HB) (resid 15 and name HB1) 3.65 1.85 1.85  !seq!     noe.450
assign (resid 14 and name HD1) (resid 14 and name HB1) 3.65 1.85 1.85  !intra!     noe.448
assign (resid 9 and name HN) (resid 9 and name HA) 2.92 1.12 1.12  !intra!     noe.8
assign (resid 10 and name HN) (resid 13 and name HB1) 3.65 1.85 1.85  !medium!     noe.435
assign (resid 11 and name HN) (resid 32 and name HB2) 3.65 1.85 1.85  !long!     noe.433
assign (resid 29 and name HN) (resid 21 and name HB2) 3.65 1.85 1.85  !long!     noe.431
assign (resid 11 and name HN) (resid 32 and name HB1) 3.65 1.85 1.85  !long!     noe.432
assign (resid 8 and name HN) (resid 7 and name HG2) 3.60 1.80 1.80  !seq!     noe.440
assign (resid 9 and name HN) (resid 8 and name HG21) 3.54 1.74 1.74  !seq!     noe.441
assign (resid 3 and name HN) (resid 2 and name HA) 3.33 1.53 1.53  !seq!     noe.9
assign (resid 10 and name HN) (resid 32 and name HB1) 3.65 1.85 1.85  !long!     noe.436
assign (resid 6 and name HN) (resid 5 and name HA) 2.79 0.99 0.99  !seq!     noe.10
assign (resid 13 and name HN) (resid 13 and name HA) 3.29 1.49 1.49  !intra!     noe.0
assign (resid 17 and name HN) (resid 17 and name HA) 2.70 0.90 0.90  !intra!     noe.475
assign (resid 28 and name HB#) (resid 27 and name HA) 3.65 1.85 1.85  !seq!     noe.470
assign (resid 29 and name HN) (resid 29 and name HA) 2.82 1.02 1.02  !intra!     noe.474
assign (resid 5 and name HB1) (resid 6 and name HN) 3.64 1.84 1.84  !seq!     noe.481
assign (resid 30 and name HN) (resid 29 and name HN) 2.98 1.18 1.18  !seq!     noe.482
assign (resid 5 and name HB2) (resid 6 and name HN) 3.46 1.66 1.66  !seq!     noe.480
assign (resid 6 and name HN) (resid 6 and name HD1#) 3.58 1.78 1.78  !intra!     noe.478
assign (resid 10 and name HN) (resid 9 and name HN) 3.09 1.29 1.29  !seq!     noe.479
assign (resid 15 and name HN) (resid 15 and name HA) 2.63 0.83 0.83  !intra!     noe.1
assign (resid 9 and name HD1#) (resid 9 and name HA) 3.47 1.67 1.67  !intra!     noe.459
assign (resid 8 and name HB) (resid 8 and name HA) 2.71 0.91 0.91  !intra!     noe.462
assign (resid 9 and name HD2#) (resid 9 and name HA) 3.31 1.51 1.51  !intra!     noe.457
assign (resid 17 and name HD1#) (resid 17 and name HA) 3.04 1.24 1.24  !intra!     noe.455
assign (resid 31 and name HN) (resid 31 and name HA) 2.80 1.00 1.00  !intra!     noe.4
assign (resid 6 and name HB) (resid 6 and name HA) 3.24 1.44 1.44  !intra!     noe.467
assign (resid 11 and name HN) (resid 10 and name HA) 2.72 0.92 0.92  !seq!     noe.2
assign (resid 15 and name HN) (resid 14 and name HA) 2.60 0.80 0.80  !seq!     noe.3
assign (resid 8 and name HG21) (resid 13 and name HA) 3.65 1.85 1.85  !long!     noe.463
assign (resid 22 and name HB#) (resid 21 and name HA) 3.65 1.85 1.85  !seq!     noe.464
assign (resid 6 and name HB) (resid 6 and name HG11) 2.86 1.06 1.06  !intra!     noe.395
assign (resid 10 and name HN) (resid 10 and name HA) 2.89 1.09 1.09  !intra!     noe.18
assign (resid 20 and name HN) (resid 19 and name HA) 2.64 0.84 0.84  !seq!     noe.20
assign (resid 23 and name HN) (resid 22 and name HA) 2.50 0.70 0.70  !seq!     noe.21
assign (resid 6 and name HD1#) (resid 6 and name HG11) 2.74 0.94 0.94  !intra!     noe.403
assign (resid 32 and name HN) (resid 32 and name HA) 2.83 1.03 1.03  !intra!     noe.16
assign (resid 33 and name HN) (resid 32 and name HA) 3.01 1.21 1.21  !seq!     noe.17
assign (resid 13 and name HB2) (resid 8 and name HG21) 3.34 1.54 1.54  !long!     noe.389
assign (resid 5 and name HB2) (resid 5 and name HA) 3.22 1.42 1.42  !intra!     noe.381
assign (resid 5 and name HB1) (resid 5 and name HA) 3.19 1.39 1.39  !intra!     noe.382
assign (resid 12 and name HB1) (resid 12 and name HA) 3.07 1.27 1.27  !intra!     noe.380
assign (resid 29 and name HB2) (resid 21 and name HA) 3.26 1.46 1.46  !long!     noe.378
assign (resid 29 and name HB1) (resid 21 and name HA) 3.27 1.47 1.47  !long!     noe.379
assign (resid 31 and name HN) (resid 30 and name HA) 2.63 0.83 0.83  !seq!     noe.23
assign (resid 25 and name HN) (resid 24 and name HA) 2.47 0.67 0.67  !seq!     noe.22
assign (resid 29 and name HB1) (resid 20 and name HG2#) 3.38 1.58 1.58  !long!     noe.385
assign (resid 14 and name HD1) (resid 13 and name HA) 2.97 1.17 1.17  !seq!     noe.383
assign (resid 30 and name HN) (resid 30 and name HA) 2.91 1.11 1.11  !intra!     noe.24
assign (resid 29 and name HB2) (resid 20 and name HG2#) 3.45 1.65 1.65  !long!     noe.418
assign (resid 13 and name HN) (resid 14 and name HD2) 3.65 1.85 1.85  !seq!     noe.419
assign (resid 21 and name HB1) (resid 20 and name HG2#) 3.38 1.58 1.58  !seq!     noe.417
assign (resid 26 and name HG11) (resid 26 and name HD1#) 2.29 0.49 0.49  !intra!     noe.415
assign (resid 31 and name HB2) (resid 31 and name HA) 3.12 1.32 1.32  !intra!     noe.416
assign (resid 9 and name HN) (resid 8 and name HB) 3.65 1.85 1.85  !seq!     noe.428
assign (resid 13 and name HN) (resid 14 and name HD1) 3.65 1.85 1.85  !seq!     noe.420
assign (resid 31 and name HD22) (resid 31 and name HA) 3.65 1.85 1.85  !intra!     noe.423
!assign (resid 6 and name HG11) (resid 6 and name HG12) 2.51 0.71 0.71  !geminal!     noe.414
assign (resid 8 and name HN) (resid 8 and name HA) 3.09 1.29 1.29  !intra!     noe.13
!assign (resid 20 and name HG11) (resid 20 and name HG12) 2.11 0.31 0.31  !geminal!     noe.406
assign (resid 12 and name HN) (resid 12 and name HA) 2.92 1.12 1.12  !intra!     noe.15
assign (resid 9 and name HN) (resid 8 and name HA) 3.24 1.44 1.44  !seq!     noe.14
assign (resid 5 and name HN) (resid 5 and name HA) 3.21 1.41 1.41  !intra!     noe.11
assign (resid 6 and name HB) (resid 6 and name HG2#) 2.91 1.11 1.11  !intra!     noe.413
!assign (resid 17 and name HG11) (resid 17 and name HG12) 2.00 0.20 0.20  !geminal!     noe.411
assign (resid 14 and name HG2) (resid 14 and name HB1) 2.51 0.71 0.71  !intra!     noe.409
assign (resid 30 and name HN) (resid 29 and name HA) 2.56 0.76 0.76  !seq!     noe.12
assign (resid 14 and name HB1) (resid 14 and name HA) 2.55 0.75 0.75  !intra!     noe.293
assign (resid 21 and name HN) (resid 22 and name HN) 2.78 0.98 0.98  !seq!     noe.168
assign (resid 19 and name HN) (resid 20 and name HN) 2.75 0.95 0.95  !seq!     noe.165
assign (resid 21 and name HN) (resid 20 and name HN) 3.05 1.25 1.25  !seq!     noe.166
assign (resid 11 and name HN) (resid 12 and name HN) 3.52 1.72 1.72  !seq!     noe.159
assign (resid 16 and name HN) (resid 17 and name HN) 3.09 1.29 1.29  !seq!     noe.151
assign (resid 13 and name HN) (resid 12 and name HN) 3.03 1.23 1.23  !seq!     noe.152
assign (resid 9 and name HN) (resid 8 and name HN) 2.94 1.14 1.14  !seq!     noe.150
assign (resid 16 and name HN) (resid 15 and name HN) 2.92 1.12 1.12  !seq!     noe.149
assign (resid 17 and name HN) (resid 18 and name HN) 3.03 1.23 1.23  !seq!     noe.157
assign (resid 22 and name HN) (resid 23 and name HN) 3.11 1.31 1.31  !seq!     noe.156
assign (resid 31 and name HD21) (resid 31 and name HB2) 3.56 1.76 1.76  !intra!     noe.85
assign (resid 24 and name HN) (resid 23 and name HN) 3.16 1.36 1.36  !seq!     noe.155
assign (resid 13 and name HN) (resid 13 and name HB1) 3.39 1.59 1.59  !intra!     noe.82
assign (resid 10 and name HB) (resid 11 and name HN) 3.55 1.75 1.75  !seq!     noe.185
assign (resid 5 and name HN) (resid 4 and name HN) 3.65 1.85 1.85  !seq!     noe.181
assign (resid 7 and name HN) (resid 8 and name HN) 3.65 1.85 1.85  !seq!     noe.182
assign (resid 12 and name HB2) (resid 12 and name HN) 3.20 1.40 1.40  !intra!     noe.190
assign (resid 12 and name HB1) (resid 12 and name HN) 3.28 1.48 1.48  !intra!     noe.191
assign (resid 15 and name HB2) (resid 15 and name HN) 2.95 1.15 1.15  !intra!     noe.188
assign (resid 13 and name HB1) (resid 8 and name HN) 3.65 1.85 1.85  !long!     noe.186
assign (resid 15 and name HB1) (resid 15 and name HN) 2.89 1.09 1.09  !intra!     noe.187
assign (resid 33 and name HN) (resid 32 and name HN) 3.65 1.85 1.85  !seq!     noe.180
assign (resid 5 and name HE3) (resid 5 and name HH2) 3.48 1.68 1.68  !intra!     noe.173
assign (resid 5 and name HH2) (resid 5 and name HZ2) 2.82 1.02 1.02  !intra!     noe.174
!assign (resid 31 and name HD21) (resid 31 and name HD22) 2.37 0.57 0.57  !geminal!     noe.170
assign (resid 5 and name HD1) (resid 5 and name HN) 3.65 1.85 1.85  !intra!     noe.179
assign (resid 5 and name HZ3) (resid 5 and name HH2) 2.80 1.00 1.00  !intra!     noe.177
assign (resid 5 and name HZ3) (resid 5 and name HE3) 2.99 1.19 1.19  !intra!     noe.175
assign (resid 25 and name HN) (resid 25 and name HG12) 2.99 1.19 1.19  !intra!     noe.117
assign (resid 7 and name HN) (resid 7 and name HG2) 2.90 1.10 1.10  !intra!     noe.116
assign (resid 8 and name HN) (resid 8 and name HG21) 3.19 1.39 1.39  !intra!     noe.124
assign (resid 25 and name HN) (resid 25 and name HB) 2.78 0.98 0.98  !intra!     noe.96
assign (resid 21 and name HN) (resid 20 and name HB) 3.08 1.28 1.28  !seq!     noe.100
assign (resid 31 and name HN) (resid 30 and name HB2) 3.17 1.37 1.37  !seq!     noe.102
assign (resid 31 and name HN) (resid 30 and name HB1) 3.18 1.38 1.38  !seq!     noe.107
assign (resid 25 and name HN) (resid 25 and name HG2#) 3.11 1.31 1.31  !intra!     noe.140
assign (resid 21 and name HN) (resid 20 and name HG2#) 3.07 1.27 1.27  !seq!     noe.138
assign (resid 5 and name HE1) (resid 5 and name HD1) 2.99 1.19 1.19  !intra!     noe.146
assign (resid 5 and name HZ2) (resid 5 and name HE1) 3.41 1.61 1.61  !intra!     noe.147
assign (resid 21 and name HN) (resid 20 and name HG11) 3.30 1.50 1.50  !seq!     noe.129
assign (resid 10 and name HN) (resid 10 and name HG21) 3.29 1.49 1.49  !intra!     noe.125
assign (resid 6 and name HN) (resid 6 and name HG12) 3.65 1.85 1.85  !intra!     noe.134
assign (resid 27 and name HN) (resid 26 and name HG2#) 3.22 1.42 1.42  !seq!     noe.136
assign (resid 17 and name HG11) (resid 18 and name HN) 3.22 1.42 1.42  !seq!     noe.255
assign (resid 17 and name HG12) (resid 18 and name HN) 3.65 1.85 1.85  !seq!     noe.258
assign (resid 22 and name HB#) (resid 23 and name HN) 3.20 1.40 1.40  !seq!     noe.252
assign (resid 9 and name HB1) (resid 10 and name HN) 3.49 1.69 1.69  !seq!     noe.253
assign (resid 30 and name HN) (resid 29 and name HB1) 3.33 1.53 1.53  !seq!     noe.69
assign (resid 17 and name HG12) (resid 17 and name HN) 3.07 1.27 1.27  !intra!     noe.261
assign (resid 17 and name HG11) (resid 17 and name HN) 3.27 1.47 1.47  !intra!     noe.259
assign (resid 6 and name HG11) (resid 7 and name HN) 3.65 1.85 1.85  !seq!     noe.260
assign (resid 9 and name HB2) (resid 10 and name HN) 3.54 1.74 1.74  !seq!     noe.241
assign (resid 26 and name HB) (resid 27 and name HN) 3.14 1.34 1.34  !seq!     noe.238
assign (resid 10 and name HG21) (resid 11 and name HN) 3.65 1.85 1.85  !seq!     noe.248
assign (resid 9 and name HD2#) (resid 11 and name HN) 3.65 1.85 1.85  !medium!     noe.249
assign (resid 16 and name HB) (resid 16 and name HN) 2.76 0.96 0.96  !intra!     noe.247
assign (resid 9 and name HB2) (resid 9 and name HN) 3.30 1.50 1.50  !intra!     noe.245
assign (resid 6 and name HB) (resid 6 and name HN) 3.05 1.25 1.25  !intra!     noe.246
assign (resid 17 and name HD1#) (resid 17 and name HN) 3.60 1.80 1.80  !intra!     noe.279
assign (resid 17 and name HG2#) (resid 17 and name HN) 3.27 1.47 1.47  !intra!     noe.277
assign (resid 6 and name HG2#) (resid 7 and name HN) 3.54 1.74 1.74  !seq!     noe.278
assign (resid 6 and name HG2#) (resid 6 and name HN) 3.65 1.85 1.85  !intra!     noe.288
assign (resid 20 and name HG2#) (resid 20 and name HN) 3.06 1.26 1.26  !intra!     noe.285
assign (resid 20 and name HD1#) (resid 20 and name HN) 3.65 1.85 1.85  !intra!     noe.287
assign (resid 30 and name HN) (resid 29 and name HB2) 3.07 1.27 1.27  !seq!     noe.66
assign (resid 20 and name HG11) (resid 20 and name HN) 2.92 1.12 1.12  !intra!     noe.268
assign (resid 28 and name HB#) (resid 29 and name HN) 3.16 1.36 1.36  !seq!     noe.266
assign (resid 20 and name HG12) (resid 20 and name HN) 3.10 1.30 1.30  !intra!     noe.265
assign (resid 17 and name HD1#) (resid 18 and name HN) 3.65 1.85 1.85  !seq!     noe.274
assign (resid 17 and name HG2#) (resid 18 and name HN) 3.32 1.52 1.52  !seq!     noe.273
assign (resid 33 and name HB#) (resid 33 and name HN) 3.57 1.77 1.77  !intra!     noe.270
assign (resid 29 and name HB1) (resid 29 and name HN) 2.77 0.97 0.97  !intra!     noe.207
assign (resid 13 and name HB1) (resid 9 and name HN) 3.53 1.73 1.73  !medium!     noe.208
assign (resid 29 and name HB2) (resid 29 and name HN) 2.88 1.08 1.08  !intra!     noe.206
assign (resid 21 and name HB2) (resid 22 and name HN) 3.12 1.32 1.32  !seq!     noe.203
assign (resid 13 and name HB2) (resid 9 and name HN) 3.65 1.85 1.85  !medium!     noe.205
assign (resid 32 and name HB2) (resid 33 and name HN) 3.65 1.85 1.85  !seq!     noe.213
assign (resid 15 and name HB1) (resid 16 and name HN) 3.34 1.54 1.54  !seq!     noe.214
assign (resid 32 and name HB1) (resid 33 and name HN) 3.65 1.85 1.85  !seq!     noe.211
assign (resid 5 and name HB1) (resid 5 and name HN) 3.41 1.61 1.61  !intra!     noe.209
assign (resid 5 and name HB2) (resid 5 and name HN) 3.31 1.51 1.51  !intra!     noe.210
assign (resid 29 and name HB1) (resid 22 and name HN) 3.42 1.62 1.62  !long!     noe.202
assign (resid 21 and name HB1) (resid 21 and name HN) 2.84 1.04 1.04  !intra!     noe.196
assign (resid 31 and name HB1) (resid 31 and name HN) 2.90 1.10 1.10  !intra!     noe.194
assign (resid 10 and name HB) (resid 10 and name HN) 2.99 1.19 1.19  !intra!     noe.192
assign (resid 31 and name HB2) (resid 31 and name HN) 3.00 1.20 1.20  !intra!     noe.193
assign (resid 21 and name HB1) (resid 22 and name HN) 3.22 1.42 1.42  !seq!     noe.200
assign (resid 29 and name HB2) (resid 22 and name HN) 3.65 1.85 1.85  !long!     noe.201
assign (resid 32 and name HB2) (resid 32 and name HN) 2.84 1.04 1.04  !intra!     noe.199
assign (resid 21 and name HB2) (resid 21 and name HN) 2.67 0.87 0.87  !intra!     noe.198
assign (resid 14 and name HB2) (resid 15 and name HN) 3.09 1.29 1.29  !seq!     noe.231
assign (resid 14 and name HG2) (resid 15 and name HN) 3.65 1.85 1.85  !seq!     noe.230
assign (resid 14 and name HB1) (resid 15 and name HN) 3.65 1.85 1.85  !seq!     noe.229
assign (resid 10 and name HN) (resid 32 and name HB2) 3.34 1.54 1.54  !long!     noe.75
assign (resid 20 and name HB) (resid 20 and name HN) 2.71 0.91 0.91  !intra!     noe.237
assign (resid 20 and name HB) (resid 22 and name HN) 3.65 1.85 1.85  !medium!     noe.235
assign (resid 16 and name HB) (resid 17 and name HN) 3.28 1.48 1.48  !seq!     noe.233
assign (resid 17 and name HB) (resid 17 and name HN) 2.73 0.93 0.93  !intra!     noe.234
assign (resid 5 and name HB2) (resid 5 and name HE3) 3.57 1.77 1.77  !intra!     noe.218
assign (resid 31 and name HB1) (resid 31 and name HD21) 3.32 1.52 1.52  !intra!     noe.220
assign (resid 5 and name HB1) (resid 5 and name HE3) 3.51 1.71 1.71  !intra!     noe.217
assign (resid 15 and name HB2) (resid 16 and name HN) 3.60 1.80 1.80  !seq!     noe.215
assign (resid 15 and name HB2) (resid 15 and name HD21) 3.27 1.47 1.47  !intra!     noe.216
assign (resid 32 and name HN) (resid 31 and name HB1) 3.33 1.53 1.53  !seq!     noe.79
assign (resid 15 and name HB2) (resid 15 and name HD22) 3.28 1.48 1.48  !intra!     noe.226
assign (resid 5 and name HB2) (resid 5 and name HD1) 3.65 1.85 1.85  !intra!     noe.224
assign (resid 5 and name HB1) (resid 5 and name HD1) 3.65 1.85 1.85  !intra!     noe.223
assign (resid 11 and name HE1) (resid 11 and name HD2) 2.67 0.87 0.87  !ambig!     noed2o.169
    or (resid 7 and name HE2) (resid 7 and name HD1)                 !!     noed2o.169
    or (resid 30 and name HE2) (resid 30 and name HD1)                 !!     noed2o.169
    or (resid 7 and name HE1) (resid 7 and name HD2)                 !!     noed2o.169
    or (resid 30 and name HE1) (resid 30 and name HD2)                 !!     noed2o.169
    or (resid 30 and name HE1) (resid 30 and name HD1)                 !!     noed2o.169
    or (resid 7 and name HE1) (resid 7 and name HD1)                 !!     noed2o.169
    or (resid 11 and name HE2) (resid 11 and name HD2)                 !!     noed2o.169
    or (resid 7 and name HE2) (resid 7 and name HD2)                 !!     noed2o.169
    or (resid 11 and name HE1) (resid 11 and name HD1)                 !!     noed2o.169
    or (resid 30 and name HE2) (resid 30 and name HD2)                 !!     noed2o.169
assign (resid 7 and name HE2) (resid 7 and name HG2) 2.83 1.03 1.03  !ambig!     noed2o.168
    or (resid 7 and name HE1) (resid 7 and name HG2)                 !!     noed2o.168
assign (resid 30 and name HG1) (resid 30 and name HE1) 3.12 1.32 1.32  !ambig!     noed2o.191
    or (resid 11 and name HG1) (resid 11 and name HE1)                 !!     noed2o.191
    or (resid 30 and name HG2) (resid 30 and name HE2)                 !!     noed2o.191
    or (resid 11 and name HG2) (resid 11 and name HE2)                 !!     noed2o.191
    or (resid 11 and name HG1) (resid 11 and name HE2)                 !!     noed2o.191
    or (resid 11 and name HG2) (resid 11 and name HE1)                 !!     noed2o.191
    or (resid 30 and name HG2) (resid 30 and name HE1)                 !!     noed2o.191
    or (resid 30 and name HG1) (resid 30 and name HE2)                 !!     noed2o.191
assign (resid 9 and name HD2#) (resid 9 and name HG) 2.33 0.53 0.53  !ambig!     noed2o.212
    or (resid 17 and name HD1#) (resid 17 and name HG11)                 !!     noed2o.212
    or (resid 20 and name HD1#) (resid 20 and name HG12)                 !!     noed2o.212
assign (resid 30 and name HA) (resid 30 and name HG2) 2.19 0.39 0.39  !ambig!     noed2o.62
    or (resid 30 and name HA) (resid 30 and name HG1)                 !!     noed2o.62
assign (resid 10 and name HA) (resid 9 and name HB1) 3.46 1.66 1.66  !ambig!     noed2o.80
    or (resid 19 and name HA) (resid 20 and name HG12)                 !!     noed2o.80
    or (resid 18 and name HA) (resid 17 and name HG11)                 !!     noed2o.80
    or (resid 10 and name HA) (resid 9 and name HG)                 !!     noed2o.80
assign (resid 3 and name HG2) (resid 3 and name HD1) 3.65 1.85 1.85  !ambig!     noed2o.157
    or (resid 3 and name HG1) (resid 3 and name HD2)                 !!     noed2o.157
    or (resid 3 and name HG2) (resid 3 and name HD2)                 !!     noed2o.157
    or (resid 3 and name HG1) (resid 3 and name HD1)                 !!     noed2o.157
assign (resid 27 and name HG2#) (resid 27 and name HB) 2.48 0.68 0.68  !ambig!     noed2o.143
    or (resid 26 and name HG11) (resid 26 and name HA)                 !!     noed2o.143
    or (resid 20 and name HG11) (resid 20 and name HA)                 !!     noed2o.143
assign (resid 19 and name HA) (resid 19 and name HB1) 2.35 0.55 0.55  !intra!     noed2o.102
assign (resid 10 and name HA) (resid 11 and name HG1) 3.14 1.34 1.34  !ambig!     noed2o.64
    or (resid 10 and name HA) (resid 11 and name HG2)                 !!     noed2o.64
    or (resid 19 and name HA) (resid 22 and name HB#)                 !!     noed2o.64
assign (resid 17 and name HG2#) (resid 17 and name HG12) 2.48 0.68 0.68  !ambig!     noed2o.214
    or (resid 20 and name HG2#) (resid 20 and name HG11)                 !!     noed2o.214
    or (resid 26 and name HG2#) (resid 26 and name HG11)                 !!     noed2o.214
assign (resid 19 and name HA) (resid 20 and name HG2#) 3.32 1.52 1.52  !ambig!     noed2o.68
    or (resid 10 and name HA) (resid 9 and name HD1#)                 !!     noed2o.68
assign (resid 25 and name HG12) (resid 25 and name HB) 2.61 0.81 0.81  !ambig!     noed2o.204
    or (resid 26 and name HG12) (resid 26 and name HB)                 !!     noed2o.204
assign (resid 30 and name HB2) (resid 30 and name HG1) 2.66 0.86 0.86  !ambig!     noed2o.202
    or (resid 30 and name HB2) (resid 30 and name HG2)                 !!     noed2o.202
assign (resid 6 and name HG11) (resid 6 and name HD1#) 2.99 1.19 1.19  !ambig!     noed2o.219
    or (resid 6 and name HG11) (resid 6 and name HG2#)                 !!     noed2o.219
assign (resid 17 and name HB) (resid 17 and name HD1#) 2.83 1.03 1.03  !ambig!     noed2o.198
    or (resid 20 and name HB) (resid 20 and name HD1#)                 !!     noed2o.198
assign (resid 20 and name HB) (resid 20 and name HG2#) 2.39 0.59 0.59  !ambig!     noed2o.199
    or (resid 17 and name HB) (resid 17 and name HG2#)                 !!     noed2o.199
assign (resid 17 and name HD1#) (resid 17 and name HG12) 2.44 0.64 0.64  !intra!     noed2o.213
assign (resid 20 and name HA) (resid 21 and name HB1) 3.29 1.49 1.49  !ambig!     noed2o.86
    or (resid 20 and name HA) (resid 29 and name HB2)                 !!     noed2o.86
assign (resid 20 and name HG2#) (resid 20 and name HG12) 2.75 0.95 0.95  !ambig!     noed2o.215
    or (resid 17 and name HG2#) (resid 17 and name HG11)                 !!     noed2o.215
assign (resid 25 and name HG11) (resid 25 and name HB) 2.74 0.94 0.94  !ambig!     noed2o.206
    or (resid 26 and name HG11) (resid 26 and name HB)                 !!     noed2o.206
assign (resid 20 and name HG12) (resid 20 and name HB) 2.46 0.66 0.66  !ambig!     noed2o.205
    or (resid 17 and name HG11) (resid 17 and name HB)                 !!     noed2o.205
assign (resid 17 and name HG12) (resid 17 and name HB) 2.67 0.87 0.87  !ambig!     noed2o.207
    or (resid 20 and name HG11) (resid 20 and name HB)                 !!     noed2o.207
assign (resid 26 and name HG2#) (resid 26 and name HA) 2.61 0.81 0.81  !intra!     noed2o.147
assign (resid 16 and name HG1#) (resid 16 and name HA) 2.68 0.88 0.88  !ambig!     noed2o.148
    or (resid 16 and name HG2#) (resid 16 and name HA)                 !!     noed2o.148
assign (resid 20 and name HG2#) (resid 20 and name HA) 2.64 0.84 0.84  !ambig!     noed2o.149
    or (resid 17 and name HG2#) (resid 17 and name HA)                 !!     noed2o.149
assign (resid 16 and name HB) (resid 16 and name HG2#) 2.51 0.71 0.71  !ambig!     noed2o.179
    or (resid 16 and name HB) (resid 16 and name HG1#)                 !!     noed2o.179
assign (resid 22 and name HB#) (resid 22 and name HA) 2.40 0.60 0.60  !ambig!     noed2o.138
    or (resid 28 and name HB#) (resid 28 and name HA)                 !!     noed2o.138
assign (resid 25 and name HG2#) (resid 24 and name HA) 3.47 1.67 1.67  !ambig!     noed2o.146
    or (resid 20 and name HG2#) (resid 22 and name HA)                 !!     noed2o.146
assign (resid 6 and name HG2#) (resid 6 and name HA) 3.07 1.27 1.27  !ambig!     noed2o.151
    or (resid 6 and name HD1#) (resid 6 and name HA)                 !!     noed2o.151
assign (resid 11 and name HB1) (resid 11 and name HA) 2.75 0.95 0.95  !ambig!     noed2o.161
    or (resid 11 and name HB2) (resid 11 and name HA)                 !!     noed2o.161
assign (resid 13 and name HB1) (resid 16 and name HG1#) 3.06 1.26 1.26  !ambig!     noed2o.165
    or (resid 13 and name HB1) (resid 16 and name HG2#)                 !!     noed2o.165
assign (resid 13 and name HB2) (resid 16 and name HG2#) 3.22 1.42 1.42  !ambig!     noed2o.164
    or (resid 13 and name HB2) (resid 16 and name HG1#)                 !!     noed2o.164
assign (resid 20 and name HG2#) (resid 19 and name HB1) 3.65 1.85 1.85  !ambig!     noed2o.153
    or (resid 17 and name HG2#) (resid 18 and name HB2)                 !!     noed2o.153
assign (resid 16 and name HG1#) (resid 8 and name HB) 3.50 1.70 1.70  !ambig!     noed2o.154
    or (resid 16 and name HG2#) (resid 8 and name HB)                 !!     noed2o.154
assign (resid 16 and name HG2#) (resid 15 and name HA) 3.65 1.85 1.85  !ambig!     noed2o.158
    or (resid 16 and name HG1#) (resid 15 and name HA)                 !!     noed2o.158
assign (resid 26 and name HB) (resid 26 and name HG2#) 2.44 0.64 0.64  !ambig!     noed2o.180
    or (resid 25 and name HB) (resid 25 and name HG2#)                 !!     noed2o.180
assign (resid 26 and name HB) (resid 26 and name HA) 2.48 0.68 0.68  !ambig!     noed2o.125
    or (resid 25 and name HB) (resid 25 and name HA)                 !!     noed2o.125
assign (resid 17 and name HB) (resid 17 and name HA) 2.45 0.65 0.65  !ambig!     noed2o.126
    or (resid 20 and name HB) (resid 20 and name HA)                 !!     noed2o.126
assign (resid 32 and name HB2) (resid 32 and name HA) 2.68 0.88 0.88  !ambig!     noed2o.117
    or (resid 12 and name HB2) (resid 12 and name HA)                 !!     noed2o.117
assign (resid 6 and name HB) (resid 6 and name HG2#) 2.76 0.96 0.96  !ambig!     noed2o.194
    or (resid 6 and name HB) (resid 6 and name HD1#)                 !!     noed2o.194
assign (resid 26 and name HD1#) (resid 26 and name HB) 2.75 0.95 0.95  !ambig!     noed2o.187
    or (resid 25 and name HD1#) (resid 25 and name HB)                 !!     noed2o.187
assign (resid 7 and name HB1) (resid 7 and name HA) 2.79 0.99 0.99  !ambig!     noed2o.135
    or (resid 7 and name HB2) (resid 7 and name HA)                 !!     noed2o.135
assign (resid 14 and name HG1) (resid 14 and name HD1) 2.77 0.97 0.97  !ambig!     noed2o.128
    or (resid 14 and name HB2) (resid 14 and name HD1)                 !!     noed2o.128
assign (resid 14 and name HB2) (resid 14 and name HD2) 2.90 1.10 1.10  !ambig!     noed2o.129
    or (resid 14 and name HG1) (resid 14 and name HD2)                 !!     noed2o.129
assign (resid 14 and name HB2) (resid 14 and name HA) 2.67 0.87 0.87  !ambig!     noed2o.132
    or (resid 14 and name HG1) (resid 14 and name HA)                 !!     noed2o.132
assign (resid 14 and name HA) (resid 13 and name HB2) 3.65 1.85 1.85  !ambig!     noed2o.265
    or (resid 30 and name HA) (resid 13 and name HB2)                 !!     noed2o.265
assign (resid 14 and name HA) (resid 13 and name HB1) 3.65 1.85 1.85  !ambig!     noed2o.266
    or (resid 30 and name HA) (resid 13 and name HB1)                 !!     noed2o.266
assign (resid 30 and name HD1) (resid 30 and name HA) 3.41 1.61 1.61  !ambig!     noed2o.275
    or (resid 30 and name HD2) (resid 30 and name HA)                 !!     noed2o.275
assign (resid 26 and name HD1#) (resid 26 and name HA) 2.99 1.19 1.19  !intra!     noed2o.278
assign (resid 17 and name HG12) (resid 17 and name HA) 2.57 0.77 0.77  !ambig!     noed2o.277
    or (resid 27 and name HG2#) (resid 27 and name HA)                 !!     noed2o.277
assign (resid 16 and name HG1#) (resid 15 and name HB2) 3.65 1.85 1.85  !ambig!     noed2o.282
    or (resid 16 and name HG2#) (resid 15 and name HB2)                 !!     noed2o.282
assign (resid 5 and name HA) (resid 5 and name HB1) 2.94 1.14 1.14  !intra!     noed2o.271
assign (resid 9 and name HA) (resid 9 and name HD2#) 3.23 1.43 1.43  !ambig!     noed2o.39
    or (resid 9 and name HA) (resid 9 and name HD1#)                 !!     noed2o.39
assign (resid 3 and name HA) (resid 3 and name HG2) 3.51 1.71 1.71  !ambig!     noed2o.59
    or (resid 3 and name HA) (resid 3 and name HG1)                 !!     noed2o.59
assign (resid 22 and name HA) (resid 23 and name HA2) 2.91 1.11 1.11  !ambig!     noed2o.234
    or (resid 24 and name HA) (resid 23 and name HA2)                 !!     noed2o.234
assign (resid 8 and name HA) (resid 7 and name HG2) 3.60 1.80 1.80  !ambig!     noed2o.65
    or (resid 8 and name HA) (resid 9 and name HG)                 !!     noed2o.65
assign (resid 8 and name HA) (resid 16 and name HG1#) 3.65 1.85 1.85  !ambig!     noed2o.69
    or (resid 8 and name HA) (resid 16 and name HG2#)                 !!     noed2o.69
assign (resid 11 and name HA) (resid 11 and name HG2) 2.97 1.17 1.17  !ambig!     noed2o.10
    or (resid 11 and name HA) (resid 11 and name HG1)                 !!     noed2o.10
assign (resid 3 and name HA) (resid 4 and name HA1) 2.99 1.19 1.19  !ambig!     noed2o.238
    or (resid 3 and name HA) (resid 4 and name HA2)                 !!     noed2o.238
assign (resid 6 and name HG11) (resid 6 and name HB) 2.82 1.02 1.02  !intra!     noed2o.293
assign (resid 14 and name HG2) (resid 14 and name HB1) 2.60 0.80 0.80  !intra!     noed2o.292
assign (resid 14 and name HB1) (resid 14 and name HD2) 3.38 1.58 1.58  !intra!     noed2o.296
assign (resid 10 and name HA) (resid 32 and name HB1) 3.04 1.24 1.24  !long!     noed2o.295
assign (resid 32 and name HA) (resid 10 and name HB) 3.19 1.39 1.39  !long!     noed2o.294
assign (resid 32 and name HB2) (resid 10 and name HG21) 3.13 1.33 1.33  !long!     noed2o.166
assign (resid 32 and name HB2) (resid 8 and name HG21) 3.35 1.55 1.55  !long!     noed2o.279
assign (resid 29 and name HB2) (resid 20 and name HG2#) 3.65 1.85 1.85  !long!     noed2o.173
assign (resid 32 and name HB1) (resid 10 and name HG21) 3.32 1.52 1.52  !long!     noed2o.174
assign (resid 21 and name HB1) (resid 20 and name HG2#) 3.45 1.65 1.65  !seq!     noed2o.171
assign (resid 29 and name HB1) (resid 20 and name HG2#) 3.65 1.85 1.85  !long!     noed2o.172
assign (resid 9 and name HB2) (resid 9 and name HD1#) 3.25 1.45 1.45  !intra!     noed2o.287
assign (resid 8 and name HG21) (resid 13 and name HB2) 3.49 1.69 1.69  !long!     noed2o.284
assign (resid 10 and name HB) (resid 10 and name HG21) 2.76 0.96 0.96  !intra!     noed2o.170
!assign (resid 32 and name HB1) (resid 32 and name HB2) 2.51 0.71 0.71  !geminal!     noed2o.177
!assign (resid 21 and name HB1) (resid 21 and name HB2) 2.22 0.42 0.42  !geminal!     noed2o.176
assign (resid 9 and name HD2#) (resid 9 and name HB2) 3.42 1.62 1.62  !intra!     noed2o.289
assign (resid 8 and name HG21) (resid 13 and name HB1) 3.34 1.54 1.54  !long!     noed2o.183
assign (resid 10 and name HB) (resid 32 and name HB2) 3.24 1.44 1.44  !long!     noed2o.233
assign (resid 14 and name HA) (resid 14 and name HD1) 3.20 1.40 1.40  !intra!     noed2o.235
assign (resid 5 and name HZ2) (resid 5 and name HZ3) 3.65 1.85 1.85  !intra!     noed2o.245
assign (resid 6 and name HG2#) (resid 9 and name HG) 3.23 1.43 1.43  !medium!     noed2o.211
!assign (resid 6 and name HG11) (resid 6 and name HG12) 2.44 0.64 0.64  !geminal!     noed2o.221
assign (resid 7 and name HD1) (resid 7 and name HG2) 2.35 0.55 0.55  !intra!     noed2o.226
!assign (resid 14 and name HB2) (resid 14 and name HB1) 2.28 0.48 0.48  !geminal!     noed2o.222
assign (resid 9 and name HG) (resid 9 and name HD1#) 2.27 0.47 0.47  !intra!     noed2o.218
assign (resid 20 and name HG11) (resid 20 and name HD1#) 2.38 0.58 0.58  !intra!     noed2o.217
!assign (resid 17 and name HG11) (resid 17 and name HG12) 1.98 0.18 0.18  !geminal!     noed2o.220
!assign (resid 20 and name HG11) (resid 20 and name HG12) 2.00 0.20 0.20  !geminal!     noed2o.227
!assign (resid 15 and name HD21) (resid 15 and name HD22) 3.65 1.85 1.85  !geminal!     noed2o.246
assign (resid 11 and name HD1) (resid 11 and name HE2) 2.86 1.06 1.06  !intra!     noed2o.190
assign (resid 16 and name HB) (resid 13 and name HB1) 3.65 1.85 1.85  !medium!     noed2o.192
assign (resid 3 and name HB2) (resid 3 and name HA) 3.51 1.71 1.71  !intra!     noed2o.276
assign (resid 5 and name HB2) (resid 5 and name HD1) 3.65 1.85 1.85  !intra!     noed2o.273
assign (resid 5 and name HB2) (resid 5 and name HE3) 3.49 1.69 1.69  !intra!     noed2o.274
assign (resid 19 and name HB2) (resid 19 and name HA) 2.87 1.07 1.07  !intra!     noed2o.262
assign (resid 8 and name HA) (resid 13 and name HB2) 3.61 1.81 1.81  !long!     noed2o.263
assign (resid 29 and name HA) (resid 20 and name HD1#) 3.65 1.85 1.85  !long!     noed2o.256
assign (resid 25 and name HA) (resid 25 and name HG2#) 2.71 0.91 0.91  !intra!     noed2o.261
assign (resid 13 and name HA) (resid 13 and name HB2) 3.48 1.68 1.68  !intra!     noed2o.267
assign (resid 8 and name HA) (resid 13 and name HB1) 3.65 1.85 1.85  !long!     noed2o.264
assign (resid 6 and name HB) (resid 6 and name HG12) 3.10 1.30 1.30  !intra!     noed2o.200
assign (resid 7 and name HA) (resid 7 and name HG1) 3.07 1.27 1.27  !intra!     noed2o.61
assign (resid 17 and name HA) (resid 17 and name HG11) 2.93 1.13 1.13  !intra!     noed2o.57
assign (resid 3 and name HA) (resid 3 and name HB1) 3.34 1.54 1.54  !intra!     noed2o.51
assign (resid 8 and name HB) (resid 8 and name HA) 2.75 0.95 0.95  !intra!     noed2o.81
assign (resid 18 and name HB1) (resid 17 and name HG2#) 3.65 1.85 1.85  !seq!     noed2o.79
assign (resid 25 and name HA) (resid 25 and name HD1#) 3.11 1.31 1.31  !intra!     noed2o.77
assign (resid 18 and name HB2) (resid 18 and name HA) 2.63 0.83 0.83  !intra!     noed2o.83
assign (resid 18 and name HB1) (resid 18 and name HA) 2.81 1.01 1.01  !intra!     noed2o.82
assign (resid 11 and name HA) (resid 10 and name HG21) 3.65 1.85 1.85  !seq!     noed2o.13
assign (resid 8 and name HB) (resid 8 and name HG21) 2.56 0.76 0.76  !intra!     noed2o.12
assign (resid 5 and name HD1) (resid 7 and name HA) 3.65 1.85 1.85  !medium!     noed2o.23
assign (resid 5 and name HD1) (resid 5 and name HA) 3.65 1.85 1.85  !intra!     noed2o.22
assign (resid 19 and name HB2) (resid 20 and name HG2#) 3.65 1.85 1.85  !seq!     noed2o.18
assign (resid 33 and name HA) (resid 33 and name HB#) 2.98 1.18 1.18  !intra!     noed2o.8
assign (resid 1 and name HA) (resid 1 and name HB#) 3.65 1.85 1.85  !intra!     noed2o.7
assign (resid 5 and name HE3) (resid 5 and name HA) 3.65 1.85 1.85  !intra!     noed2o.24
assign (resid 29 and name HA) (resid 20 and name HG2#) 3.65 1.85 1.85  !long!     noed2o.40
assign (resid 9 and name HA) (resid 9 and name HB2) 3.45 1.65 1.65  !intra!     noed2o.36
assign (resid 9 and name HA) (resid 9 and name HB1) 3.29 1.49 1.49  !intra!     noed2o.34
assign (resid 5 and name HZ3) (resid 5 and name HE3) 2.87 1.07 1.07  !intra!     noed2o.27
assign (resid 5 and name HH2) (resid 5 and name HZ2) 2.85 1.05 1.05  !intra!     noed2o.26
assign (resid 5 and name HD1) (resid 6 and name HB) 3.49 1.69 1.69  !seq!     noed2o.25
assign (resid 5 and name HE3) (resid 5 and name HH2) 3.63 1.83 1.83  !intra!     noed2o.30
assign (resid 30 and name HB1) (resid 30 and name HA) 2.88 1.08 1.08  !intra!     noed2o.134
assign (resid 30 and name HB2) (resid 30 and name HA) 2.78 0.98 0.98  !intra!     noed2o.133
assign (resid 14 and name HG2) (resid 14 and name HD1) 2.77 0.97 0.97  !intra!     noed2o.131
assign (resid 8 and name HG21) (resid 8 and name HA) 2.88 1.08 1.08  !intra!     noed2o.139
assign (resid 20 and name HG12) (resid 20 and name HA) 2.71 0.91 0.91  !intra!     noed2o.137
assign (resid 28 and name HB#) (resid 27 and name HB) 3.32 1.52 1.52  !seq!     noed2o.136
assign (resid 14 and name HB1) (resid 14 and name HA) 2.65 0.85 0.85  !intra!     noed2o.123
assign (resid 13 and name HB2) (resid 8 and name HB) 3.08 1.28 1.28  !long!     noed2o.122
assign (resid 13 and name HB1) (resid 8 and name HB) 2.78 0.98 0.98  !long!     noed2o.121
assign (resid 14 and name HG2) (resid 14 and name HD2) 2.89 1.09 1.09  !intra!     noed2o.130
assign (resid 14 and name HB1) (resid 14 and name HD1) 3.53 1.73 1.73  !intra!     noed2o.127
assign (resid 16 and name HB) (resid 16 and name HA) 2.81 1.01 1.01  !intra!     noed2o.124
assign (resid 10 and name HG21) (resid 10 and name HA) 3.04 1.24 1.24  !intra!     noed2o.140
assign (resid 17 and name HG2#) (resid 18 and name HA) 3.65 1.85 1.85  !seq!     noed2o.159
assign (resid 20 and name HD1#) (resid 22 and name HA) 3.65 1.85 1.85  !medium!     noed2o.163
assign (resid 22 and name HB#) (resid 23 and name HA2) 3.51 1.71 1.71  !seq!     noed2o.162
assign (resid 6 and name HB) (resid 6 and name HA) 3.23 1.43 1.43  !intra!     noed2o.160
assign (resid 24 and name HG2#) (resid 24 and name HB) 2.59 0.79 0.79  !intra!     noed2o.142
assign (resid 24 and name HG2#) (resid 24 and name HA) 2.94 1.14 1.14  !intra!     noed2o.141
assign (resid 6 and name HG12) (resid 6 and name HA) 3.48 1.68 1.68  !intra!     noed2o.152
assign (resid 17 and name HD1#) (resid 17 and name HA) 2.96 1.16 1.16  !intra!     noed2o.150
assign (resid 6 and name HG11) (resid 6 and name HA) 3.42 1.62 1.62  !intra!     noed2o.145
assign (resid 13 and name HA) (resid 13 and name HB1) 3.02 1.22 1.22  !intra!     noed2o.94
assign (resid 21 and name HA) (resid 21 and name HB2) 3.21 1.41 1.41  !intra!     noed2o.98
assign (resid 21 and name HA) (resid 21 and name HB1) 3.34 1.54 1.54  !intra!     noed2o.97
assign (resid 20 and name HA) (resid 29 and name HB1) 3.45 1.65 1.65  !long!     noed2o.87
assign (resid 13 and name HA) (resid 14 and name HD2) 2.95 1.15 1.15  !seq!     noed2o.99
assign (resid 32 and name HB1) (resid 32 and name HA) 2.85 1.05 1.05  !intra!     noed2o.116
assign (resid 29 and name HB1) (resid 29 and name HA) 3.18 1.38 1.38  !intra!     noed2o.115
assign (resid 29 and name HB2) (resid 29 and name HA) 3.04 1.24 1.24  !intra!     noed2o.114
assign (resid 15 and name HB2) (resid 15 and name HA) 3.12 1.32 1.32  !intra!     noed2o.120
assign (resid 15 and name HB1) (resid 15 and name HA) 3.13 1.33 1.33  !intra!     noed2o.119
assign (resid 12 and name HB1) (resid 12 and name HA) 3.02 1.22 1.22  !intra!     noed2o.118
assign (resid 5 and name HB1) (resid 5 and name HD1) 3.63 1.83 1.83  !intra!     noed2o.110
assign (resid 13 and name HA) (resid 14 and name HD1) 2.98 1.18 1.18  !seq!     noed2o.100
assign (resid 5 and name HB2) (resid 5 and name HA) 3.43 1.63 1.63  !intra!     noed2o.113
assign (resid 10 and name HB) (resid 10 and name HA) 2.73 0.93 0.93  !intra!     noed2o.112
assign (resid 5 and name HB1) (resid 5 and name HE3) 3.64 1.84 1.84  !intra!     noed2o.111
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -58.3   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -28.0   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -84.3   22.9 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0   -8.5   35.4 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -79.6   41.1 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  -22.9   46.3 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -67.7   42.3 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -29.3   41.5 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -86.6   53.4 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  -10.3   63.1 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           1HT      ALA   1 -20.423  -8.005   4.742
    2    H2   ALA   1           2HT      ALA   1 -19.382  -6.641   4.756
    3    H3   ALA   1           3HT      ALA   1 -21.067  -6.440   5.010
    4    HA   ALA   1           HA       ALA   1 -21.015  -7.346   7.075
    5    HB1  ALA   1           2HB      ALA   1 -19.885  -9.353   6.837
    6    HB2  ALA   1           3HB      ALA   1 -18.804  -8.426   7.877
    7    HB3  ALA   1           1HB      ALA   1 -18.452  -8.584   6.156
    8    H    ASP   2           H        ASP   2 -17.613  -6.566   6.397
    9    HA   ASP   2           HA       ASP   2 -17.884  -4.252   8.192
   10    HB2  ASP   2           2HB      ASP   2 -16.101  -6.339   8.326
   11    HB3  ASP   2           1HB      ASP   2 -15.159  -5.099   7.504
   12    H    ARG   3           H        ARG   3 -17.564  -2.254   7.437
   13    HA   ARG   3           HA       ARG   3 -16.956  -1.929   4.613
   14    HB2  ARG   3           2HB      ARG   3 -18.827  -0.733   6.005
   15    HB3  ARG   3           1HB      ARG   3 -17.524   0.354   6.466
   16    HG2  ARG   3           2HG      ARG   3 -18.125   1.495   4.641
   17    HG3  ARG   3           1HG      ARG   3 -17.205   0.265   3.772
   18    HD2  ARG   3           2HD      ARG   3 -20.137  -0.012   4.390
   19    HD3  ARG   3           1HD      ARG   3 -19.537   0.735   2.910
   20    HE   ARG   3           HE       ARG   3 -18.310  -1.752   3.153
   21   HH11  ARG   3          1HH1      ARG   3 -21.518  -0.458   2.695
   22   HH12  ARG   3          2HH1      ARG   3 -22.085  -1.838   1.815
   23   HH21  ARG   3          1HH2      ARG   3 -19.053  -3.568   1.996
   24   HH22  ARG   3          2HH2      ARG   3 -20.685  -3.604   1.419
   25    H    GLY   4           H        GLY   4 -15.183  -0.920   3.785
   26    HA2  GLY   4           2HA      GLY   4 -13.402   0.805   4.423
   27    HA3  GLY   4           1HA      GLY   4 -13.032  -0.329   5.713
   28    H    TRP   5           H        TRP   5 -12.295   0.608   2.589
   29    HA   TRP   5           HA       TRP   5 -10.574  -1.723   2.256
   30    HB2  TRP   5           2HB      TRP   5 -12.949  -1.650   0.899
   31    HB3  TRP   5           1HB      TRP   5 -11.859  -0.896  -0.259
   32    HD1  TRP   5           HD       TRP   5  -9.274  -2.690   0.346
   33    HE1  TRP   5           1HE      TRP   5  -9.246  -5.140  -0.441
   34    HE3  TRP   5           3HE      TRP   5 -14.309  -3.453  -0.118
   35    HZ2  TRP   5           2HZ      TRP   5 -11.110  -7.133  -1.162
   36    HZ3  TRP   5           3HZ      TRP   5 -15.103  -5.660  -0.863
   37    HH2  TRP   5           HH       TRP   5 -13.536  -7.461  -1.374
   38    H    ILE   6           H        ILE   6  -8.612  -1.201   1.492
   39    HA   ILE   6           HA       ILE   6  -8.004   1.576   1.038
   40    HB   ILE   6           HB       ILE   6  -6.135  -0.770   0.724
   41   HG12  ILE   6          2HG1      ILE   6  -5.869   0.676   3.218
   42   HG13  ILE   6          1HG1      ILE   6  -7.489   0.004   3.061
   43   HG21  ILE   6          1HG2      ILE   6  -5.246   1.247  -0.209
   44   HG22  ILE   6          2HG2      ILE   6  -4.429   0.941   1.322
   45   HG23  ILE   6          3HG2      ILE   6  -5.693   2.166   1.228
   46   HD11  ILE   6          3HD1      ILE   6  -4.888  -1.360   3.365
   47   HD12  ILE   6          1HD1      ILE   6  -6.098  -2.143   2.350
   48   HD13  ILE   6          2HD1      ILE   6  -6.471  -1.762   4.031
   49    H    LYS   7           H        LYS   7  -6.834   2.361  -0.836
   50    HA   LYS   7           HA       LYS   7  -7.696   1.005  -3.301
   51    HB2  LYS   7           2HB      LYS   7  -7.034   3.924  -2.876
   52    HB3  LYS   7           1HB      LYS   7  -7.601   3.203  -4.376
   53    HG2  LYS   7           2HG      LYS   7  -9.739   2.760  -3.464
   54    HG3  LYS   7           1HG      LYS   7  -9.190   3.131  -1.828
   55    HD2  LYS   7           2HD      LYS   7  -9.151   5.168  -4.041
   56    HD3  LYS   7           1HD      LYS   7 -10.565   4.915  -3.015
   57    HE2  LYS   7           2HE      LYS   7  -8.027   5.229  -1.568
   58    HE3  LYS   7           1HE      LYS   7  -8.546   6.653  -2.469
   59    HZ1  LYS   7           3HZ      LYS   7  -9.365   6.095  -0.005
   60    HZ2  LYS   7           1HZ      LYS   7 -10.596   5.339  -0.887
   61    HZ3  LYS   7           2HZ      LYS   7 -10.287   6.987  -1.107
   62    H    DBB   8           H        DBB   8  -5.025   2.919  -1.930
   63    HA   DBB   8           HA       DBB   8  -3.271   2.074  -4.086
   64    HB3  DBB   8           HB       DBB   8  -3.204   0.238  -2.415
   65    HG1  DBB   8          3HG2      DBB   8  -0.779   0.097  -2.193
   66    HG2  DBB   8          1HG2      DBB   8  -0.634   1.807  -2.593
   67    HG3  DBB   8          2HG2      DBB   8  -1.229   0.668  -3.797
   68    H    LEU   9           H        LEU   9  -3.525   3.768  -0.970
   69    HA   LEU   9           HA       LEU   9  -2.445   6.154  -2.075
   70    HB2  LEU   9           2HB      LEU   9  -2.630   5.742   0.870
   71    HB3  LEU   9           1HB      LEU   9  -2.961   7.180  -0.075
   72    HG   LEU   9           HG       LEU   9  -4.921   5.531  -0.979
   73   HD11  LEU   9          1HD1      LEU   9  -5.659   4.028   0.540
   74   HD12  LEU   9          2HD1      LEU   9  -5.111   4.984   1.917
   75   HD13  LEU   9          3HD1      LEU   9  -3.957   4.011   1.004
   76   HD21  LEU   9          3HD2      LEU   9  -6.407   6.759   0.587
   77   HD22  LEU   9          1HD2      LEU   9  -5.274   7.806  -0.270
   78   HD23  LEU   9          2HD2      LEU   9  -4.973   7.370   1.412
   79    H    DBB  10           H        DBB  10  -1.076   3.575  -0.132
   80    HA   DBB  10           HA       DBB  10   1.455   5.059  -0.021
   81    HB3  DBB  10           HB       DBB  10   2.727   3.111  -0.708
   82    HG1  DBB  10          3HG2      DBB  10   1.472   1.146  -1.691
   83    HG2  DBB  10          1HG2      DBB  10   0.058   1.741  -0.828
   84    HG3  DBB  10          2HG2      DBB  10   1.486   1.234   0.068
   85    H    LYS  11           H        LYS  11   0.609   5.416   2.185
   86    HA   LYS  11           HA       LYS  11   1.822   3.540   3.990
   87    HB2  LYS  11           2HB      LYS  11   0.543   6.228   4.251
   88    HB3  LYS  11           1HB      LYS  11   0.775   5.251   5.694
   89    HG2  LYS  11           2HG      LYS  11   2.712   6.445   5.705
   90    HG3  LYS  11           1HG      LYS  11   3.225   5.047   4.758
   91    HD2  LYS  11           2HD      LYS  11   2.804   6.286   2.694
   92    HD3  LYS  11           1HD      LYS  11   2.270   7.681   3.634
   93    HE2  LYS  11           2HE      LYS  11   4.400   8.179   4.356
   94    HE3  LYS  11           1HE      LYS  11   4.971   6.524   4.148
   95    HZ1  LYS  11           3HZ      LYS  11   5.952   7.815   2.451
   96    HZ2  LYS  11           1HZ      LYS  11   4.483   8.546   2.037
   97    HZ3  LYS  11           2HZ      LYS  11   4.737   6.908   1.700
   98    H    ASP  12           H        ASP  12  -1.229   3.707   2.608
   99    HA   ASP  12           HA       ASP  12  -2.493   2.413   4.924
  100    HB2  ASP  12           2HB      ASP  12  -3.430   4.310   2.950
  101    HB3  ASP  12           1HB      ASP  12  -4.466   2.886   2.994
  102    H    CYS  13           H        CYS  13  -0.903   1.527   2.195
  103    HA   CYS  13           HA       CYS  13  -2.603  -0.851   1.809
  104    HB2  CYS  13           2HB      CYS  13  -0.593   0.014  -0.235
  105    HB3  CYS  13           1HB      CYS  13  -2.062  -0.927  -0.451
  106    HA   PRO  14           HA       PRO  14   1.262  -2.446   3.686
  107    HB2  PRO  14           2HB      PRO  14  -0.461  -4.536   4.765
  108    HB3  PRO  14           1HB      PRO  14   0.524  -3.352   5.626
  109    HG2  PRO  14           2HG      PRO  14  -2.187  -3.280   5.617
  110    HG3  PRO  14           1HG      PRO  14  -1.184  -1.824   5.749
  111    HD2  PRO  14           2HD      PRO  14  -2.598  -2.942   3.356
  112    HD3  PRO  14           1HD      PRO  14  -2.444  -1.253   3.888
  113    H    ASN  15           H        ASN  15  -1.055  -3.716   1.521
  114    HA   ASN  15           HA       ASN  15   0.344  -6.229   1.125
  115    HB2  ASN  15           2HB      ASN  15  -2.194  -5.028   0.103
  116    HB3  ASN  15           1HB      ASN  15  -1.434  -6.312  -0.833
  117   HD21  ASN  15          1HD2      ASN  15  -2.116  -5.614   2.583
  118   HD22  ASN  15          2HD2      ASN  15  -2.751  -7.178   2.950
  119    H    VAL  16           H        VAL  16  -0.881  -4.119  -1.442
  120    HA   VAL  16           HA       VAL  16   0.067  -3.343  -3.356
  121    HB   VAL  16           HB       VAL  16   2.674  -3.370  -1.835
  122   HG11  VAL  16          1HG1      VAL  16   3.057  -2.978  -4.145
  123   HG12  VAL  16          2HG1      VAL  16   3.142  -1.409  -3.344
  124   HG13  VAL  16          3HG1      VAL  16   1.697  -1.860  -4.249
  125   HG21  VAL  16          3HG2      VAL  16   1.815  -0.811  -1.680
  126   HG22  VAL  16          1HG2      VAL  16   1.585  -2.011  -0.409
  127   HG23  VAL  16          2HG2      VAL  16   0.284  -1.679  -1.553
  128    H    ILE  17           H        ILE  17   1.480  -3.914  -5.148
  129    HA   ILE  17           HA       ILE  17   2.478  -6.677  -4.981
  130    HB   ILE  17           HB       ILE  17   1.620  -5.784  -7.649
  131   HG12  ILE  17          2HG1      ILE  17  -0.163  -4.769  -6.262
  132   HG13  ILE  17          1HG1      ILE  17  -0.766  -6.088  -7.261
  133   HG21  ILE  17          1HG2      ILE  17   2.312  -8.137  -6.530
  134   HG22  ILE  17          2HG2      ILE  17   1.334  -7.991  -7.990
  135   HG23  ILE  17          3HG2      ILE  17   0.555  -8.241  -6.428
  136   HD11  ILE  17          3HD1      ILE  17   0.097  -6.850  -4.558
  137   HD12  ILE  17          1HD1      ILE  17  -1.320  -7.344  -5.485
  138   HD13  ILE  17          2HD1      ILE  17  -1.313  -5.794  -4.644
  139    H    SER  18           H        SER  18   3.589  -6.855  -7.493
  140    HA   SER  18           HA       SER  18   6.063  -5.529  -7.127
  141    HB2  SER  18           2HB      SER  18   4.898  -7.370  -9.147
  142    HB3  SER  18           1HB      SER  18   6.273  -6.394  -9.664
  143    HG   SER  18           HG       SER  18   6.795  -8.475  -8.692
  144    H    SER  19           H        SER  19   5.967  -3.337  -7.203
  145    HA   SER  19           HA       SER  19   5.841  -2.089  -9.751
  146    HB2  SER  19           2HB      SER  19   3.942  -0.503  -9.080
  147    HB3  SER  19           1HB      SER  19   3.484  -2.130  -9.581
  148    HG   SER  19           HG       SER  19   2.431  -1.438  -7.646
  149    H    ILE  20           H        ILE  20   5.688  -1.657  -6.259
  150    HA   ILE  20           HA       ILE  20   7.703   0.452  -6.499
  151    HB   ILE  20           HB       ILE  20   5.447   0.644  -4.525
  152   HG12  ILE  20          2HG1      ILE  20   4.989   2.678  -6.269
  153   HG13  ILE  20          1HG1      ILE  20   5.574   1.434  -7.370
  154   HG21  ILE  20          1HG2      ILE  20   6.851   3.060  -5.367
  155   HG22  ILE  20          2HG2      ILE  20   7.890   1.875  -4.575
  156   HG23  ILE  20          3HG2      ILE  20   6.455   2.481  -3.748
  157   HD11  ILE  20          3HD1      ILE  20   3.844  -0.077  -6.172
  158   HD12  ILE  20          1HD1      ILE  20   3.301   1.084  -7.383
  159   HD13  ILE  20          2HD1      ILE  20   3.126   1.452  -5.667
  160    H    CYS  21           H        CYS  21   5.940  -1.088  -3.884
  161    HA   CYS  21           HA       CYS  21   8.443  -1.543  -2.461
  162    HB2  CYS  21           2HB      CYS  21   5.953  -0.739  -1.602
  163    HB3  CYS  21           1HB      CYS  21   5.981  -2.440  -1.150
  164    H    ALA  22           H        ALA  22   5.867  -3.269  -4.029
  165    HA   ALA  22           HA       ALA  22   5.576  -5.458  -4.588
  166    HB1  ALA  22           1HB      ALA  22   7.382  -6.468  -5.499
  167    HB2  ALA  22           2HB      ALA  22   8.396  -6.178  -4.085
  168    HB3  ALA  22           3HB      ALA  22   8.108  -4.881  -5.245
  169    H    GLY  23           H        GLY  23   5.001  -4.834  -1.937
  170    HA2  GLY  23           2HA      GLY  23   4.511  -5.883   0.045
  171    HA3  GLY  23           1HA      GLY  23   4.903  -7.391  -0.767
  172    H    THR  24           H        THR  24   6.157  -4.758   1.170
  173    HA   THR  24           HA       THR  24   8.054  -6.491   2.422
  174    HB   THR  24           HB       THR  24   9.274  -5.938   0.346
  175    HG1  THR  24           1HG      THR  24  10.461  -4.582   2.521
  176   HG21  THR  24          3HG2      THR  24  10.127  -3.700  -0.036
  177   HG22  THR  24          1HG2      THR  24   9.172  -3.093   1.317
  178   HG23  THR  24          2HG2      THR  24   8.365  -3.729  -0.117
  179    H    ILE  25           H        ILE  25   9.400  -5.248   4.051
  180    HA   ILE  25           HA       ILE  25   7.637  -3.459   5.463
  181    HB   ILE  25           HB       ILE  25   9.692  -3.378   7.085
  182   HG12  ILE  25          2HG1      ILE  25  11.151  -5.290   6.986
  183   HG13  ILE  25          1HG1      ILE  25  10.276  -5.955   5.612
  184   HG21  ILE  25          1HG2      ILE  25   8.910  -5.485   8.118
  185   HG22  ILE  25          2HG2      ILE  25   7.987  -5.823   6.653
  186   HG23  ILE  25          3HG2      ILE  25   7.596  -4.412   7.636
  187   HD11  ILE  25          3HD1      ILE  25  12.011  -3.501   5.654
  188   HD12  ILE  25          1HD1      ILE  25  11.017  -3.989   4.282
  189   HD13  ILE  25          2HD1      ILE  25  12.328  -5.030   4.834
  190    H    ILE  26           H        ILE  26   7.810  -1.889   3.599
  191    HA   ILE  26           HA       ILE  26   8.621   0.004   2.609
  192    HB   ILE  26           HB       ILE  26   7.700   0.973   4.581
  193   HG12  ILE  26          2HG1      ILE  26   9.119   2.962   4.879
  194   HG13  ILE  26          1HG1      ILE  26  10.468   2.111   4.132
  195   HG21  ILE  26          1HG2      ILE  26  10.278   0.230   5.948
  196   HG22  ILE  26          2HG2      ILE  26   8.661  -0.381   6.296
  197   HG23  ILE  26          3HG2      ILE  26   9.061   1.301   6.638
  198   HD11  ILE  26          3HD1      ILE  26   7.867   2.805   2.788
  199   HD12  ILE  26          1HD1      ILE  26   9.231   1.974   2.041
  200   HD13  ILE  26          2HD1      ILE  26   9.404   3.645   2.577
  201    H    THR  27           H        THR  27  10.321  -0.519   1.318
  202    HA   THR  27           HA       THR  27  13.006  -0.319   2.516
  203    HB   THR  27           HB       THR  27  13.787  -1.696   0.593
  204    HG1  THR  27           1HG      THR  27  11.009  -1.916   0.081
  205   HG21  THR  27          3HG2      THR  27  12.857  -3.839   1.294
  206   HG22  THR  27          1HG2      THR  27  11.618  -2.994   2.222
  207   HG23  THR  27          2HG2      THR  27  13.316  -2.841   2.674
  208    H    ALA  28           H        ALA  28  11.740  -0.133  -0.805
  209    HA   ALA  28           HA       ALA  28  13.156   2.435  -1.097
  210    HB1  ALA  28           1HB      ALA  28  13.057   1.807  -3.597
  211    HB2  ALA  28           2HB      ALA  28  12.725   0.176  -3.013
  212    HB3  ALA  28           3HB      ALA  28  14.225   0.986  -2.562
  213    H    CYS  29           H        CYS  29  10.102   0.966  -1.060
  214    HA   CYS  29           HA       CYS  29   8.747   2.612  -2.934
  215    HB2  CYS  29           2HB      CYS  29   6.699   1.761  -1.895
  216    HB3  CYS  29           1HB      CYS  29   7.846   0.459  -2.173
  217    H    LYS  30           H        LYS  30   9.942   4.598  -2.109
  218    HA   LYS  30           HA       LYS  30   8.790   5.780   0.285
  219    HB2  LYS  30           2HB      LYS  30  11.263   5.982  -0.956
  220    HB3  LYS  30           1HB      LYS  30  10.495   7.524  -1.308
  221    HG2  LYS  30           2HG      LYS  30  10.550   8.201   0.847
  222    HG3  LYS  30           1HG      LYS  30  10.316   6.571   1.481
  223    HD2  LYS  30           2HD      LYS  30  12.871   7.099   0.085
  224    HD3  LYS  30           1HD      LYS  30  12.645   7.889   1.646
  225    HE2  LYS  30           2HE      LYS  30  11.834   5.444   2.317
  226    HE3  LYS  30           1HE      LYS  30  12.909   5.006   0.990
  227    HZ1  LYS  30           3HZ      LYS  30  14.406   5.026   2.665
  228    HZ2  LYS  30           1HZ      LYS  30  13.544   6.145   3.598
  229    HZ3  LYS  30           2HZ      LYS  30  14.479   6.674   2.291
  230    H    ASN  31           H        ASN  31   7.459   5.364  -2.540
  231    HA   ASN  31           HA       ASN  31   5.860   7.740  -2.372
  232    HB2  ASN  31           2HB      ASN  31   6.268   8.521  -4.662
  233    HB3  ASN  31           1HB      ASN  31   7.740   8.594  -3.699
  234   HD21  ASN  31          1HD2      ASN  31   6.584   7.827  -6.634
  235   HD22  ASN  31          2HD2      ASN  31   7.768   6.675  -7.139
  236    H    CYS  32           H        CYS  32   3.854   7.050  -2.655
  237    HA   CYS  32           HA       CYS  32   3.384   4.611  -4.197
  238    HB2  CYS  32           2HB      CYS  32   2.380   5.469  -1.776
  239    HB3  CYS  32           1HB      CYS  32   1.066   5.831  -2.888
  240    H    ALA  33           H        ALA  33   1.873   7.824  -3.840
  241    HA   ALA  33           HA       ALA  33   0.798   9.174  -5.323
  242    HB1  ALA  33           1HB      ALA  33   2.669   7.667  -7.090
  243    HB2  ALA  33           2HB      ALA  33   2.630   9.385  -6.694
  244    HB3  ALA  33           3HB      ALA  33   1.448   8.712  -7.816
  Start of MODEL    2
    1    H1   ALA   1           1HT      ALA   1  -8.261  -0.085 -11.058
    2    H2   ALA   1           2HT      ALA   1  -7.856  -1.120  -9.750
    3    H3   ALA   1           3HT      ALA   1  -8.577   0.407  -9.446
    4    HA   ALA   1           HA       ALA   1 -10.604  -0.233 -10.210
    5    HB1  ALA   1           2HB      ALA   1 -10.080  -1.186 -12.297
    6    HB2  ALA   1           3HB      ALA   1 -10.877  -2.467 -11.384
    7    HB3  ALA   1           1HB      ALA   1  -9.123  -2.471 -11.561
    8    H    ASP   2           H        ASP   2  -8.991  -0.705  -7.819
    9    HA   ASP   2           HA       ASP   2  -9.709  -3.306  -6.818
   10    HB2  ASP   2           2HB      ASP   2  -8.509  -0.872  -5.490
   11    HB3  ASP   2           1HB      ASP   2  -8.815  -2.388  -4.647
   12    H    ARG   3           H        ARG   3 -11.379  -3.854  -5.513
   13    HA   ARG   3           HA       ARG   3 -13.230  -1.711  -4.703
   14    HB2  ARG   3           2HB      ARG   3 -14.142  -2.920  -6.634
   15    HB3  ARG   3           1HB      ARG   3 -13.969  -4.442  -5.769
   16    HG2  ARG   3           2HG      ARG   3 -15.463  -2.988  -4.020
   17    HG3  ARG   3           1HG      ARG   3 -16.042  -2.388  -5.574
   18    HD2  ARG   3           2HD      ARG   3 -17.426  -4.176  -5.362
   19    HD3  ARG   3           1HD      ARG   3 -16.060  -4.987  -6.127
   20    HE   ARG   3           HE       ARG   3 -15.938  -4.979  -3.256
   21   HH11  ARG   3          1HH1      ARG   3 -17.184  -6.641  -6.059
   22   HH12  ARG   3          2HH1      ARG   3 -17.330  -8.164  -5.247
   23   HH21  ARG   3          1HH2      ARG   3 -16.129  -6.979  -2.185
   24   HH22  ARG   3          2HH2      ARG   3 -16.733  -8.356  -3.047
   25    H    GLY   4           H        GLY   4 -13.641  -1.669  -2.594
   26    HA2  GLY   4           2HA      GLY   4 -14.453  -2.958  -0.654
   27    HA3  GLY   4           1HA      GLY   4 -13.229  -4.155  -1.049
   28    H    TRP   5           H        TRP   5 -10.953  -2.873  -1.348
   29    HA   TRP   5           HA       TRP   5 -10.629  -1.225   1.072
   30    HB2  TRP   5           2HB      TRP   5  -8.442  -2.321   1.437
   31    HB3  TRP   5           1HB      TRP   5  -9.781  -3.461   1.529
   32    HD1  TRP   5           HD       TRP   5  -6.633  -2.707  -0.421
   33    HE1  TRP   5           1HE      TRP   5  -6.214  -4.592  -2.122
   34    HE3  TRP   5           3HE      TRP   5 -11.081  -5.191   0.006
   35    HZ2  TRP   5           2HZ      TRP   5  -7.587  -6.834  -3.148
   36    HZ3  TRP   5           3HZ      TRP   5 -11.448  -7.197  -1.370
   37    HH2  TRP   5           HH       TRP   5  -9.737  -8.000  -2.914
   38    H    ILE   6           H        ILE   6  -8.123  -0.415   0.949
   39    HA   ILE   6           HA       ILE   6  -8.106   1.574  -1.025
   40    HB   ILE   6           HB       ILE   6  -5.637   0.589   0.391
   41   HG12  ILE   6          2HG1      ILE   6  -6.773   2.756   1.814
   42   HG13  ILE   6          1HG1      ILE   6  -8.069   1.592   1.560
   43   HG21  ILE   6          1HG2      ILE   6  -6.478   3.124  -0.939
   44   HG22  ILE   6          2HG2      ILE   6  -4.974   2.218  -1.093
   45   HG23  ILE   6          3HG2      ILE   6  -5.285   3.168   0.359
   46   HD11  ILE   6          3HD1      ILE   6  -6.579  -0.161   2.510
   47   HD12  ILE   6          1HD1      ILE   6  -7.031   1.113   3.643
   48   HD13  ILE   6          2HD1      ILE   6  -5.427   1.114   2.908
   49    H    LYS   7           H        LYS   7  -6.451   1.919  -2.698
   50    HA   LYS   7           HA       LYS   7  -5.860  -0.600  -4.093
   51    HB2  LYS   7           2HB      LYS   7  -5.660   0.875  -6.127
   52    HB3  LYS   7           1HB      LYS   7  -7.269   0.779  -5.424
   53    HG2  LYS   7           2HG      LYS   7  -5.816   2.968  -4.266
   54    HG3  LYS   7           1HG      LYS   7  -5.795   3.078  -6.027
   55    HD2  LYS   7           2HD      LYS   7  -8.251   2.822  -6.041
   56    HD3  LYS   7           1HD      LYS   7  -8.238   2.798  -4.276
   57    HE2  LYS   7           2HE      LYS   7  -6.789   5.071  -4.949
   58    HE3  LYS   7           1HE      LYS   7  -8.124   5.048  -6.101
   59    HZ1  LYS   7           3HZ      LYS   7  -8.615   4.634  -3.222
   60    HZ2  LYS   7           1HZ      LYS   7  -9.686   5.173  -4.417
   61    HZ3  LYS   7           2HZ      LYS   7  -8.464   6.196  -3.852
   62    H    DBB   8           H        DBB   8  -4.448   2.422  -2.985
   63    HA   DBB   8           HA       DBB   8  -1.884   1.922  -4.171
   64    HB3  DBB   8           HB       DBB   8  -1.764   0.271  -2.395
   65    HG1  DBB   8          3HG2      DBB   8   0.166   0.962  -1.181
   66    HG2  DBB   8          1HG2      DBB   8  -0.228   2.667  -1.402
   67    HG3  DBB   8          2HG2      DBB   8   0.280   1.693  -2.782
   68    H    LEU   9           H        LEU   9  -3.666   3.605  -1.609
   69    HA   LEU   9           HA       LEU   9  -2.925   6.149  -2.618
   70    HB2  LEU   9           2HB      LEU   9  -4.445   7.011  -1.173
   71    HB3  LEU   9           1HB      LEU   9  -5.003   5.353  -1.204
   72    HG   LEU   9           HG       LEU   9  -5.085   5.954   1.051
   73   HD11  LEU   9          1HD1      LEU   9  -2.448   4.862   1.499
   74   HD12  LEU   9          2HD1      LEU   9  -3.315   3.975   0.248
   75   HD13  LEU   9          3HD1      LEU   9  -4.031   4.171   1.845
   76   HD21  LEU   9          3HD2      LEU   9  -3.421   7.962   0.469
   77   HD22  LEU   9          1HD2      LEU   9  -2.292   6.892   1.299
   78   HD23  LEU   9          2HD2      LEU   9  -3.754   7.440   2.120
   79    H    DBB  10           H        DBB  10  -1.366   4.003  -0.448
   80    HA   DBB  10           HA       DBB  10   0.038   5.979   1.061
   81    HB3  DBB  10           HB       DBB  10   1.025   6.160  -1.269
   82    HG1  DBB  10          3HG2      DBB  10   3.390   6.154  -0.500
   83    HG2  DBB  10          1HG2      DBB  10   2.851   5.434   1.016
   84    HG3  DBB  10          2HG2      DBB  10   2.296   7.044   0.558
   85    H    LYS  11           H        LYS  11   1.446   5.104   2.619
   86    HA   LYS  11           HA       LYS  11   2.136   2.374   2.775
   87    HB2  LYS  11           2HB      LYS  11   2.764   2.881   5.107
   88    HB3  LYS  11           1HB      LYS  11   3.402   4.060   3.970
   89    HG2  LYS  11           2HG      LYS  11   1.983   5.729   4.695
   90    HG3  LYS  11           1HG      LYS  11   0.815   4.586   5.363
   91    HD2  LYS  11           2HD      LYS  11   1.749   4.858   7.363
   92    HD3  LYS  11           1HD      LYS  11   3.238   4.149   6.734
   93    HE2  LYS  11           2HE      LYS  11   3.801   6.470   5.871
   94    HE3  LYS  11           1HE      LYS  11   2.468   7.055   6.865
   95    HZ1  LYS  11           3HZ      LYS  11   4.877   6.997   7.801
   96    HZ2  LYS  11           1HZ      LYS  11   4.532   5.366   8.096
   97    HZ3  LYS  11           2HZ      LYS  11   3.575   6.574   8.794
   98    H    ASP  12           H        ASP  12  -0.771   4.045   3.533
   99    HA   ASP  12           HA       ASP  12  -1.804   2.410   5.562
  100    HB2  ASP  12           2HB      ASP  12  -2.684   4.626   4.177
  101    HB3  ASP  12           1HB      ASP  12  -3.807   3.374   3.656
  102    H    CYS  13           H        CYS  13  -1.288   1.786   2.231
  103    HA   CYS  13           HA       CYS  13  -3.304  -0.177   1.841
  104    HB2  CYS  13           2HB      CYS  13  -0.673   0.217   0.401
  105    HB3  CYS  13           1HB      CYS  13  -1.994  -0.804  -0.155
  106    HA   PRO  14           HA       PRO  14  -1.763  -3.705   3.990
  107    HB2  PRO  14           2HB      PRO  14  -2.436  -5.253   1.552
  108    HB3  PRO  14           1HB      PRO  14  -2.963  -5.499   3.220
  109    HG2  PRO  14           2HG      PRO  14  -4.623  -4.479   1.403
  110    HG3  PRO  14           1HG      PRO  14  -4.621  -3.887   3.075
  111    HD2  PRO  14           2HD      PRO  14  -3.469  -2.637   0.617
  112    HD3  PRO  14           1HD      PRO  14  -4.279  -1.872   2.000
  113    H    ASN  15           H        ASN  15  -1.105  -4.135   0.555
  114    HA   ASN  15           HA       ASN  15   1.721  -3.917   0.836
  115    HB2  ASN  15           2HB      ASN  15   1.094  -6.237   1.807
  116    HB3  ASN  15           1HB      ASN  15   0.821  -6.697   0.129
  117   HD21  ASN  15          1HD2      ASN  15   2.699  -7.992   1.594
  118   HD22  ASN  15          2HD2      ASN  15   4.280  -7.578   1.035
  119    H    VAL  16           H        VAL  16  -0.980  -5.160  -1.068
  120    HA   VAL  16           HA       VAL  16  -1.335  -5.309  -3.320
  121    HB   VAL  16           HB       VAL  16  -1.770  -2.952  -2.952
  122   HG11  VAL  16          1HG1      VAL  16   0.035  -1.286  -3.503
  123   HG12  VAL  16          2HG1      VAL  16   1.186  -2.617  -3.397
  124   HG13  VAL  16          3HG1      VAL  16   0.238  -2.157  -1.984
  125   HG21  VAL  16          3HG2      VAL  16  -1.467  -4.092  -5.335
  126   HG22  VAL  16          1HG2      VAL  16  -0.227  -2.847  -5.480
  127   HG23  VAL  16          2HG2      VAL  16  -1.899  -2.393  -5.151
  128    H    ILE  17           H        ILE  17   0.616  -6.945  -3.023
  129    HA   ILE  17           HA       ILE  17   2.276  -8.028  -4.119
  130    HB   ILE  17           HB       ILE  17   2.110  -5.781  -6.131
  131   HG12  ILE  17          2HG1      ILE  17   0.005  -6.817  -6.193
  132   HG13  ILE  17          1HG1      ILE  17   0.917  -7.639  -7.453
  133   HG21  ILE  17          1HG2      ILE  17   3.154  -7.486  -7.649
  134   HG22  ILE  17          2HG2      ILE  17   3.476  -8.461  -6.216
  135   HG23  ILE  17          3HG2      ILE  17   4.210  -6.865  -6.380
  136   HD11  ILE  17          3HD1      ILE  17   1.359  -9.485  -5.879
  137   HD12  ILE  17          1HD1      ILE  17  -0.358  -9.242  -6.202
  138   HD13  ILE  17          2HD1      ILE  17   0.344  -8.672  -4.687
  139    H    SER  18           H        SER  18   4.541  -7.965  -4.492
  140    HA   SER  18           HA       SER  18   5.838  -5.784  -3.015
  141    HB2  SER  18           2HB      SER  18   7.710  -7.361  -2.699
  142    HB3  SER  18           1HB      SER  18   6.190  -8.039  -2.112
  143    HG   SER  18           HG       SER  18   7.297  -8.561  -4.672
  144    H    SER  19           H        SER  19   5.109  -5.244  -5.649
  145    HA   SER  19           HA       SER  19   7.521  -4.281  -6.718
  146    HB2  SER  19           2HB      SER  19   7.569  -5.650  -8.822
  147    HB3  SER  19           1HB      SER  19   8.006  -6.552  -7.370
  148    HG   SER  19           HG       SER  19   5.521  -6.581  -8.738
  149    H    ILE  20           H        ILE  20   6.186  -2.434  -6.729
  150    HA   ILE  20           HA       ILE  20   4.868  -0.863  -7.696
  151    HB   ILE  20           HB       ILE  20   5.210  -2.738 -10.021
  152   HG12  ILE  20          2HG1      ILE  20   6.244  -0.013  -9.251
  153   HG13  ILE  20          1HG1      ILE  20   7.165  -1.482  -9.551
  154   HG21  ILE  20          1HG2      ILE  20   4.141  -0.983 -11.441
  155   HG22  ILE  20          2HG2      ILE  20   3.581  -0.202  -9.964
  156   HG23  ILE  20          3HG2      ILE  20   3.023  -1.823 -10.369
  157   HD11  ILE  20          3HD1      ILE  20   6.153  -1.232 -11.961
  158   HD12  ILE  20          1HD1      ILE  20   7.581  -0.321 -11.468
  159   HD13  ILE  20          2HD1      ILE  20   5.997   0.457 -11.474
  160    H    CYS  21           H        CYS  21   2.690  -0.366  -8.193
  161    HA   CYS  21           HA       CYS  21   0.811  -2.027  -6.920
  162    HB2  CYS  21           2HB      CYS  21   0.474   0.411  -8.655
  163    HB3  CYS  21           1HB      CYS  21  -0.871  -0.389  -7.852
  164    H    ALA  22           H        ALA  22   1.146  -1.108 -10.310
  165    HA   ALA  22           HA       ALA  22   0.642  -3.653 -11.358
  166    HB1  ALA  22           1HB      ALA  22  -1.693  -2.822 -12.369
  167    HB2  ALA  22           2HB      ALA  22  -1.754  -2.012 -10.804
  168    HB3  ALA  22           3HB      ALA  22  -1.571  -3.764 -10.884
  169    H    GLY  23           H        GLY  23   1.954  -3.414 -13.052
  170    HA2  GLY  23           2HA      GLY  23   1.937  -0.906 -14.557
  171    HA3  GLY  23           1HA      GLY  23   3.129  -2.189 -14.695
  172    H    THR  24           H        THR  24  -0.416  -2.279 -14.930
  173    HA   THR  24           HA       THR  24  -0.276  -2.797 -17.778
  174    HB   THR  24           HB       THR  24  -1.805  -4.854 -16.284
  175    HG1  THR  24           1HG      THR  24  -0.144  -5.709 -15.363
  176   HG21  THR  24          3HG2      THR  24  -1.756  -4.892 -18.716
  177   HG22  THR  24          1HG2      THR  24  -0.990  -6.325 -18.034
  178   HG23  THR  24          2HG2      THR  24   0.002  -5.020 -18.683
  179    H    ILE  25           H        ILE  25  -1.440  -0.769 -16.035
  180    HA   ILE  25           HA       ILE  25  -4.217  -1.007 -16.956
  181    HB   ILE  25           HB       ILE  25  -3.484   0.074 -14.234
  182   HG12  ILE  25          2HG1      ILE  25  -4.782  -2.564 -14.953
  183   HG13  ILE  25          1HG1      ILE  25  -3.133  -2.369 -14.366
  184   HG21  ILE  25          1HG2      ILE  25  -5.647   0.650 -13.963
  185   HG22  ILE  25          2HG2      ILE  25  -6.241  -0.730 -14.887
  186   HG23  ILE  25          3HG2      ILE  25  -5.638   0.699 -15.726
  187   HD11  ILE  25          3HD1      ILE  25  -5.708  -1.990 -12.895
  188   HD12  ILE  25          1HD1      ILE  25  -4.208  -1.262 -12.321
  189   HD13  ILE  25          2HD1      ILE  25  -4.332  -3.013 -12.488
  190    H    ILE  26           H        ILE  26  -2.370   1.401 -15.081
  191    HA   ILE  26           HA       ILE  26  -2.158   3.222 -17.265
  192    HB   ILE  26           HB       ILE  26  -3.541   5.022 -15.984
  193   HG12  ILE  26          2HG1      ILE  26  -5.636   3.228 -15.297
  194   HG13  ILE  26          1HG1      ILE  26  -4.182   2.665 -14.481
  195   HG21  ILE  26          1HG2      ILE  26  -3.946   3.624 -18.237
  196   HG22  ILE  26          2HG2      ILE  26  -5.062   4.851 -17.638
  197   HG23  ILE  26          3HG2      ILE  26  -5.376   3.144 -17.323
  198   HD11  ILE  26          3HD1      ILE  26  -5.895   4.809 -13.785
  199   HD12  ILE  26          1HD1      ILE  26  -4.304   5.469 -14.164
  200   HD13  ILE  26          2HD1      ILE  26  -4.468   4.213 -12.938
  201    H    THR  27           H        THR  27  -2.484   3.226 -13.711
  202    HA   THR  27           HA       THR  27  -0.498   5.238 -13.354
  203    HB   THR  27           HB       THR  27  -0.632   4.230 -10.910
  204    HG1  THR  27           1HG      THR  27  -1.864   2.533 -10.924
  205   HG21  THR  27          3HG2      THR  27  -1.538   6.408 -11.508
  206   HG22  THR  27          1HG2      THR  27  -2.631   5.526 -10.440
  207   HG23  THR  27          2HG2      THR  27  -2.979   5.632 -12.165
  208    H    ALA  28           H        ALA  28   1.596   5.036 -12.521
  209    HA   ALA  28           HA       ALA  28   2.921   2.562 -13.271
  210    HB1  ALA  28           1HB      ALA  28   4.245   4.214 -14.071
  211    HB2  ALA  28           2HB      ALA  28   4.946   4.110 -12.456
  212    HB3  ALA  28           3HB      ALA  28   3.756   5.360 -12.821
  213    H    CYS  29           H        CYS  29   2.538   4.608 -10.410
  214    HA   CYS  29           HA       CYS  29   2.788   4.203  -8.188
  215    HB2  CYS  29           2HB      CYS  29   1.173   2.386  -8.652
  216    HB3  CYS  29           1HB      CYS  29   2.515   1.305  -9.000
  217    H    LYS  30           H        LYS  30   4.650   4.546  -7.196
  218    HA   LYS  30           HA       LYS  30   7.024   3.078  -8.052
  219    HB2  LYS  30           2HB      LYS  30   6.806   5.680  -7.713
  220    HB3  LYS  30           1HB      LYS  30   7.110   5.273  -6.030
  221    HG2  LYS  30           2HG      LYS  30   9.281   5.124  -6.421
  222    HG3  LYS  30           1HG      LYS  30   9.004   3.907  -7.668
  223    HD2  LYS  30           2HD      LYS  30   8.871   5.518  -9.368
  224    HD3  LYS  30           1HD      LYS  30   8.634   6.836  -8.218
  225    HE2  LYS  30           2HE      LYS  30  10.920   6.585  -7.428
  226    HE3  LYS  30           1HE      LYS  30  11.164   5.218  -8.514
  227    HZ1  LYS  30           3HZ      LYS  30  12.010   6.833  -9.819
  228    HZ2  LYS  30           1HZ      LYS  30  11.102   8.068  -9.103
  229    HZ3  LYS  30           2HZ      LYS  30  10.391   7.052 -10.253
  230    H    ASN  31           H        ASN  31   5.822   4.242  -4.932
  231    HA   ASN  31           HA       ASN  31   5.661   1.745  -3.682
  232    HB2  ASN  31           2HB      ASN  31   8.104   1.699  -3.990
  233    HB3  ASN  31           1HB      ASN  31   8.243   3.218  -3.111
  234   HD21  ASN  31          1HD2      ASN  31   7.924  -0.176  -2.892
  235   HD22  ASN  31          2HD2      ASN  31   7.948  -0.297  -1.169
  236    H    CYS  32           H        CYS  32   5.354   1.913  -1.336
  237    HA   CYS  32           HA       CYS  32   4.701   4.648  -0.464
  238    HB2  CYS  32           2HB      CYS  32   3.010   2.163  -0.275
  239    HB3  CYS  32           1HB      CYS  32   2.764   3.532   0.800
  240    H    ALA  33           H        ALA  33   4.779   1.335   0.861
  241    HA   ALA  33           HA       ALA  33   6.083   2.397   3.265
  242    HB1  ALA  33           1HB      ALA  33   4.767  -0.278   2.801
  243    HB2  ALA  33           2HB      ALA  33   4.048   1.103   3.629
  244    HB3  ALA  33           3HB      ALA  33   5.447   0.287   4.327
  Start of MODEL    3
    1    H1   ALA   1           1HT      ALA   1 -17.821  13.491  -9.364
    2    H2   ALA   1           2HT      ALA   1 -16.774  12.160  -9.096
    3    H3   ALA   1           3HT      ALA   1 -16.164  13.762  -9.025
    4    HA   ALA   1           HA       ALA   1 -17.179  14.221  -7.064
    5    HB1  ALA   1           2HB      ALA   1 -18.968  12.906  -6.103
    6    HB2  ALA   1           3HB      ALA   1 -18.855  11.739  -7.420
    7    HB3  ALA   1           1HB      ALA   1 -19.394  13.387  -7.745
    8    H    ASP   2           H        ASP   2 -16.348  13.610  -5.084
    9    HA   ASP   2           HA       ASP   2 -14.560  11.285  -5.161
   10    HB2  ASP   2           2HB      ASP   2 -14.492  13.924  -3.800
   11    HB3  ASP   2           1HB      ASP   2 -13.792  12.563  -2.926
   12    H    ARG   3           H        ARG   3 -15.760   9.564  -4.523
   13    HA   ARG   3           HA       ARG   3 -16.523   9.454  -1.741
   14    HB2  ARG   3           2HB      ARG   3 -18.522  10.386  -3.024
   15    HB3  ARG   3           1HB      ARG   3 -18.641   8.806  -3.786
   16    HG2  ARG   3           2HG      ARG   3 -19.000   7.756  -1.640
   17    HG3  ARG   3           1HG      ARG   3 -18.773   9.301  -0.818
   18    HD2  ARG   3           2HD      ARG   3 -20.803   9.353  -2.928
   19    HD3  ARG   3           1HD      ARG   3 -21.179   8.258  -1.597
   20    HE   ARG   3           HE       ARG   3 -21.130  11.132  -1.522
   21   HH11  ARG   3          1HH1      ARG   3 -20.873   8.214   0.376
   22   HH12  ARG   3          2HH1      ARG   3 -21.352   8.983   1.852
   23   HH21  ARG   3          1HH2      ARG   3 -21.759  12.145   0.419
   24   HH22  ARG   3          2HH2      ARG   3 -21.855  11.214   1.876
   25    H    GLY   4           H        GLY   4 -16.158   7.473  -0.937
   26    HA2  GLY   4           2HA      GLY   4 -16.593   5.019  -1.420
   27    HA3  GLY   4           1HA      GLY   4 -15.658   5.308  -2.880
   28    H    TRP   5           H        TRP   5 -13.570   4.822  -2.791
   29    HA   TRP   5           HA       TRP   5 -12.076   5.194  -0.328
   30    HB2  TRP   5           2HB      TRP   5 -13.094   2.642  -1.050
   31    HB3  TRP   5           1HB      TRP   5 -11.354   2.604  -1.313
   32    HD1  TRP   5           HD       TRP   5  -9.811   3.263   0.898
   33    HE1  TRP   5           1HE      TRP   5 -10.259   2.781   3.385
   34    HE3  TRP   5           3HE      TRP   5 -14.842   2.377   0.662
   35    HZ2  TRP   5           2HZ      TRP   5 -12.453   2.113   5.031
   36    HZ3  TRP   5           3HZ      TRP   5 -16.040   1.823   2.739
   37    HH2  TRP   5           HH       TRP   5 -14.869   1.694   4.877
   38    H    ILE   6           H        ILE   6  -9.749   3.963  -0.939
   39    HA   ILE   6           HA       ILE   6  -8.981   4.839  -3.624
   40    HB   ILE   6           HB       ILE   6  -8.503   6.737  -2.143
   41   HG12  ILE   6          2HG1      ILE   6  -6.062   6.938  -2.649
   42   HG13  ILE   6          1HG1      ILE   6  -6.064   5.243  -3.128
   43   HG21  ILE   6          1HG2      ILE   6  -6.832   6.548  -0.370
   44   HG22  ILE   6          2HG2      ILE   6  -6.729   4.810  -0.653
   45   HG23  ILE   6          3HG2      ILE   6  -8.229   5.518  -0.054
   46   HD11  ILE   6          3HD1      ILE   6  -7.673   5.755  -4.897
   47   HD12  ILE   6          1HD1      ILE   6  -6.186   6.690  -5.063
   48   HD13  ILE   6          2HD1      ILE   6  -7.642   7.454  -4.422
   49    H    LYS   7           H        LYS   7  -7.309   3.686  -4.530
   50    HA   LYS   7           HA       LYS   7  -6.394   1.364  -2.973
   51    HB2  LYS   7           2HB      LYS   7  -5.912   0.365  -5.237
   52    HB3  LYS   7           1HB      LYS   7  -7.612   0.645  -4.885
   53    HG2  LYS   7           2HG      LYS   7  -6.286   2.878  -6.231
   54    HG3  LYS   7           1HG      LYS   7  -6.337   1.387  -7.171
   55    HD2  LYS   7           2HD      LYS   7  -8.531   1.587  -7.548
   56    HD3  LYS   7           1HD      LYS   7  -8.866   1.956  -5.855
   57    HE2  LYS   7           2HE      LYS   7  -9.497   3.929  -6.831
   58    HE3  LYS   7           1HE      LYS   7  -7.801   4.275  -6.496
   59    HZ1  LYS   7           3HZ      LYS   7  -8.173   4.939  -8.699
   60    HZ2  LYS   7           1HZ      LYS   7  -9.031   3.532  -9.083
   61    HZ3  LYS   7           2HZ      LYS   7  -7.360   3.461  -8.825
   62    H    DBB   8           H        DBB   8  -4.310   1.155  -2.489
   63    HA   DBB   8           HA       DBB   8  -2.154   1.869  -4.105
   64    HB3  DBB   8           HB       DBB   8  -1.821   0.250  -2.384
   65    HG1  DBB   8          3HG2      DBB   8   0.106   0.984  -1.207
   66    HG2  DBB   8          1HG2      DBB   8  -0.387   2.674  -1.316
   67    HG3  DBB   8          2HG2      DBB   8   0.129   1.810  -2.765
   68    H    LEU   9           H        LEU   9  -3.585   3.616  -1.353
   69    HA   LEU   9           HA       LEU   9  -2.944   6.139  -2.496
   70    HB2  LEU   9           2HB      LEU   9  -4.014   7.111  -0.634
   71    HB3  LEU   9           1HB      LEU   9  -4.906   5.651  -1.009
   72    HG   LEU   9           HG       LEU   9  -2.790   5.642   1.121
   73   HD11  LEU   9          1HD1      LEU   9  -4.802   5.962   2.694
   74   HD12  LEU   9          2HD1      LEU   9  -5.591   6.689   1.294
   75   HD13  LEU   9          3HD1      LEU   9  -4.100   7.387   1.927
   76   HD21  LEU   9          3HD2      LEU   9  -3.394   3.477   0.979
   77   HD22  LEU   9          1HD2      LEU   9  -4.907   3.847   0.153
   78   HD23  LEU   9          2HD2      LEU   9  -4.802   3.996   1.906
   79    H    DBB  10           H        DBB  10  -1.326   4.051  -0.237
   80    HA   DBB  10           HA       DBB  10   0.358   6.028   0.913
   81    HB3  DBB  10           HB       DBB  10   1.144   5.950  -1.496
   82    HG1  DBB  10          3HG2      DBB  10   3.549   5.873  -0.945
   83    HG2  DBB  10          1HG2      DBB  10   3.140   5.252   0.653
   84    HG3  DBB  10          2HG2      DBB  10   2.617   6.867   0.175
   85    H    LYS  11           H        LYS  11   1.293   5.263   2.697
   86    HA   LYS  11           HA       LYS  11   2.130   2.549   3.003
   87    HB2  LYS  11           2HB      LYS  11   2.618   3.201   5.332
   88    HB3  LYS  11           1HB      LYS  11   3.302   4.326   4.166
   89    HG2  LYS  11           2HG      LYS  11   0.937   5.521   4.638
   90    HG3  LYS  11           1HG      LYS  11   1.211   4.736   6.195
   91    HD2  LYS  11           2HD      LYS  11   2.394   6.601   6.644
   92    HD3  LYS  11           1HD      LYS  11   3.661   5.784   5.725
   93    HE2  LYS  11           2HE      LYS  11   3.194   7.016   3.780
   94    HE3  LYS  11           1HE      LYS  11   1.634   7.558   4.397
   95    HZ1  LYS  11           3HZ      LYS  11   4.280   8.368   5.477
   96    HZ2  LYS  11           1HZ      LYS  11   2.775   8.912   6.027
   97    HZ3  LYS  11           2HZ      LYS  11   3.303   9.313   4.471
   98    H    ASP  12           H        ASP  12  -0.895   3.966   3.136
   99    HA   ASP  12           HA       ASP  12  -1.956   2.293   5.251
  100    HB2  ASP  12           2HB      ASP  12  -2.989   4.513   3.559
  101    HB3  ASP  12           1HB      ASP  12  -4.164   3.367   4.201
  102    H    CYS  13           H        CYS  13  -0.811   1.057   2.804
  103    HA   CYS  13           HA       CYS  13  -3.213  -0.364   1.863
  104    HB2  CYS  13           2HB      CYS  13  -0.625   0.224   0.420
  105    HB3  CYS  13           1HB      CYS  13  -1.838  -0.900  -0.181
  106    HA   PRO  14           HA       PRO  14  -0.583  -3.487   4.008
  107    HB2  PRO  14           2HB      PRO  14  -2.893  -4.416   5.420
  108    HB3  PRO  14           1HB      PRO  14  -1.504  -3.545   6.069
  109    HG2  PRO  14           2HG      PRO  14  -4.071  -2.532   5.908
  110    HG3  PRO  14           1HG      PRO  14  -2.601  -1.554   6.049
  111    HD2  PRO  14           2HD      PRO  14  -4.231  -2.194   3.627
  112    HD3  PRO  14           1HD      PRO  14  -3.399  -0.689   4.065
  113    H    ASN  15           H        ASN  15  -3.492  -3.594   2.183
  114    HA   ASN  15           HA       ASN  15  -3.816  -6.409   2.046
  115    HB2  ASN  15           2HB      ASN  15  -5.437  -4.429   1.388
  116    HB3  ASN  15           1HB      ASN  15  -4.695  -4.638  -0.195
  117   HD21  ASN  15          1HD2      ASN  15  -6.884  -5.898   2.114
  118   HD22  ASN  15          2HD2      ASN  15  -7.432  -7.251   1.191
  119    H    VAL  16           H        VAL  16  -2.793  -4.201  -0.561
  120    HA   VAL  16           HA       VAL  16  -1.244  -6.408  -1.715
  121    HB   VAL  16           HB       VAL  16  -1.084  -4.823  -3.718
  122   HG11  VAL  16          1HG1      VAL  16  -3.702  -5.263  -4.120
  123   HG12  VAL  16          2HG1      VAL  16  -3.424  -6.338  -2.749
  124   HG13  VAL  16          3HG1      VAL  16  -2.477  -6.528  -4.224
  125   HG21  VAL  16          3HG2      VAL  16  -1.769  -2.802  -2.421
  126   HG22  VAL  16          1HG2      VAL  16  -3.397  -3.474  -2.331
  127   HG23  VAL  16          2HG2      VAL  16  -2.697  -3.062  -3.897
  128    H    ILE  17           H        ILE  17   0.824  -6.465  -1.141
  129    HA   ILE  17           HA       ILE  17   2.427  -4.054  -1.376
  130    HB   ILE  17           HB       ILE  17   1.916  -3.898   0.931
  131   HG12  ILE  17          2HG1      ILE  17   4.589  -5.293   0.713
  132   HG13  ILE  17          1HG1      ILE  17   4.304  -3.597   0.337
  133   HG21  ILE  17          1HG2      ILE  17   2.575  -6.831   1.118
  134   HG22  ILE  17          2HG2      ILE  17   0.992  -6.080   1.324
  135   HG23  ILE  17          3HG2      ILE  17   2.270  -5.782   2.503
  136   HD11  ILE  17          3HD1      ILE  17   5.307  -3.951   2.557
  137   HD12  ILE  17          1HD1      ILE  17   3.869  -4.852   3.037
  138   HD13  ILE  17          2HD1      ILE  17   3.742  -3.139   2.631
  139    H    SER  18           H        SER  18   4.484  -4.430  -1.987
  140    HA   SER  18           HA       SER  18   6.107  -6.592  -1.625
  141    HB2  SER  18           2HB      SER  18   4.669  -8.153  -2.644
  142    HB3  SER  18           1HB      SER  18   4.205  -7.028  -3.920
  143    HG   SER  18           HG       SER  18   6.008  -7.467  -4.990
  144    H    SER  19           H        SER  19   4.892  -4.553  -4.260
  145    HA   SER  19           HA       SER  19   7.229  -3.014  -4.449
  146    HB2  SER  19           2HB      SER  19   8.142  -3.799  -6.582
  147    HB3  SER  19           1HB      SER  19   8.199  -5.086  -5.379
  148    HG   SER  19           HG       SER  19   6.349  -5.981  -6.327
  149    H    ILE  20           H        ILE  20   4.569  -4.386  -6.318
  150    HA   ILE  20           HA       ILE  20   3.826  -1.678  -7.151
  151    HB   ILE  20           HB       ILE  20   3.625  -4.105  -8.930
  152   HG12  ILE  20          2HG1      ILE  20   5.985  -3.390  -8.448
  153   HG13  ILE  20          1HG1      ILE  20   5.513  -3.303 -10.138
  154   HG21  ILE  20          1HG2      ILE  20   1.999  -2.638  -9.666
  155   HG22  ILE  20          2HG2      ILE  20   3.386  -2.182 -10.653
  156   HG23  ILE  20          3HG2      ILE  20   2.948  -1.212  -9.247
  157   HD11  ILE  20          3HD1      ILE  20   5.091  -0.862  -9.807
  158   HD12  ILE  20          1HD1      ILE  20   6.776  -1.359  -9.649
  159   HD13  ILE  20          2HD1      ILE  20   5.816  -1.027  -8.207
  160    H    CYS  21           H        CYS  21   1.579  -1.554  -7.861
  161    HA   CYS  21           HA       CYS  21  -0.140  -3.438  -6.394
  162    HB2  CYS  21           2HB      CYS  21  -0.875  -0.576  -6.965
  163    HB3  CYS  21           1HB      CYS  21  -1.611  -1.679  -5.812
  164    H    ALA  22           H        ALA  22   0.343  -1.623  -9.323
  165    HA   ALA  22           HA       ALA  22  -0.542  -1.801 -11.409
  166    HB1  ALA  22           1HB      ALA  22  -0.940  -3.894 -12.161
  167    HB2  ALA  22           2HB      ALA  22  -2.050  -4.274 -10.844
  168    HB3  ALA  22           3HB      ALA  22  -0.308  -4.345 -10.577
  169    H    GLY  23           H        GLY  23  -2.567  -1.678 -12.629
  170    HA2  GLY  23           2HA      GLY  23  -4.896  -1.093 -10.911
  171    HA3  GLY  23           1HA      GLY  23  -4.400   0.018 -12.178
  172    H    THR  24           H        THR  24  -5.663  -0.097 -13.901
  173    HA   THR  24           HA       THR  24  -6.406  -2.721 -14.948
  174    HB   THR  24           HB       THR  24  -8.511  -0.589 -14.786
  175    HG1  THR  24           1HG      THR  24  -8.025  -2.579 -12.826
  176   HG21  THR  24          3HG2      THR  24 -10.048  -2.463 -14.849
  177   HG22  THR  24          1HG2      THR  24  -8.691  -3.590 -14.880
  178   HG23  THR  24          2HG2      THR  24  -8.958  -2.493 -16.236
  179    H    ILE  25           H        ILE  25  -4.722  -0.225 -15.640
  180    HA   ILE  25           HA       ILE  25  -5.179  -0.352 -18.454
  181    HB   ILE  25           HB       ILE  25  -5.294   2.347 -18.370
  182   HG12  ILE  25          2HG1      ILE  25  -7.386   1.675 -16.353
  183   HG13  ILE  25          1HG1      ILE  25  -5.738   1.916 -15.782
  184   HG21  ILE  25          1HG2      ILE  25  -7.968   1.645 -18.445
  185   HG22  ILE  25          2HG2      ILE  25  -7.127   0.173 -18.930
  186   HG23  ILE  25          3HG2      ILE  25  -6.852   1.677 -19.810
  187   HD11  ILE  25          3HD1      ILE  25  -7.705   3.853 -16.715
  188   HD12  ILE  25          1HD1      ILE  25  -6.097   4.077 -17.403
  189   HD13  ILE  25          2HD1      ILE  25  -6.313   4.063 -15.653
  190    H    ILE  26           H        ILE  26  -3.766   1.710 -15.921
  191    HA   ILE  26           HA       ILE  26  -1.138   1.334 -17.139
  192    HB   ILE  26           HB       ILE  26  -2.109   4.069 -16.315
  193   HG12  ILE  26          2HG1      ILE  26  -3.317   3.259 -18.323
  194   HG13  ILE  26          1HG1      ILE  26  -2.257   4.620 -18.681
  195   HG21  ILE  26          1HG2      ILE  26   0.165   4.192 -16.134
  196   HG22  ILE  26          2HG2      ILE  26  -0.023   4.585 -17.843
  197   HG23  ILE  26          3HG2      ILE  26   0.440   2.954 -17.359
  198   HD11  ILE  26          3HD1      ILE  26  -2.369   2.187 -20.005
  199   HD12  ILE  26          1HD1      ILE  26  -0.885   2.114 -19.054
  200   HD13  ILE  26          2HD1      ILE  26  -1.143   3.441 -20.185
  201    H    THR  27           H        THR  27   0.582   1.510 -15.691
  202    HA   THR  27           HA       THR  27   0.161   0.668 -13.092
  203    HB   THR  27           HB       THR  27   2.557   1.793 -12.796
  204    HG1  THR  27           1HG      THR  27   2.402   2.884 -14.821
  205   HG21  THR  27          3HG2      THR  27   2.187  -0.609 -12.782
  206   HG22  THR  27          1HG2      THR  27   3.600  -0.186 -13.748
  207   HG23  THR  27          2HG2      THR  27   2.084  -0.610 -14.544
  208    H    ALA  28           H        ALA  28  -0.650   1.641 -11.401
  209    HA   ALA  28           HA       ALA  28  -0.307   4.555 -11.128
  210    HB1  ALA  28           1HB      ALA  28  -2.601   3.332  -9.767
  211    HB2  ALA  28           2HB      ALA  28  -2.667   3.316 -11.529
  212    HB3  ALA  28           3HB      ALA  28  -2.484   4.844 -10.668
  213    H    CYS  29           H        CYS  29   1.264   2.205 -10.078
  214    HA   CYS  29           HA       CYS  29   1.362   3.119  -7.313
  215    HB2  CYS  29           2HB      CYS  29  -0.089   1.236  -7.082
  216    HB3  CYS  29           1HB      CYS  29   0.908   0.253  -8.145
  217    H    LYS  30           H        LYS  30   3.398   3.677  -6.957
  218    HA   LYS  30           HA       LYS  30   5.533   2.338  -8.448
  219    HB2  LYS  30           2HB      LYS  30   5.329   4.997  -7.075
  220    HB3  LYS  30           1HB      LYS  30   6.899   4.304  -7.459
  221    HG2  LYS  30           2HG      LYS  30   6.491   5.657  -9.278
  222    HG3  LYS  30           1HG      LYS  30   5.945   4.080  -9.853
  223    HD2  LYS  30           2HD      LYS  30   3.647   4.926  -8.829
  224    HD3  LYS  30           1HD      LYS  30   4.374   6.502  -9.152
  225    HE2  LYS  30           2HE      LYS  30   4.703   5.893 -11.483
  226    HE3  LYS  30           1HE      LYS  30   4.046   4.286 -11.173
  227    HZ1  LYS  30           3HZ      LYS  30   1.917   5.181 -10.770
  228    HZ2  LYS  30           1HZ      LYS  30   2.470   5.930 -12.183
  229    HZ3  LYS  30           2HZ      LYS  30   2.496   6.769 -10.716
  230    H    ASN  31           H        ASN  31   5.066   3.671  -5.202
  231    HA   ASN  31           HA       ASN  31   5.681   1.333  -3.801
  232    HB2  ASN  31           2HB      ASN  31   7.955   1.840  -2.995
  233    HB3  ASN  31           1HB      ASN  31   7.928   1.582  -4.738
  234   HD21  ASN  31          1HD2      ASN  31   9.140   3.475  -2.365
  235   HD22  ASN  31          2HD2      ASN  31   9.473   4.908  -3.270
  236    H    CYS  32           H        CYS  32   5.046   1.574  -1.751
  237    HA   CYS  32           HA       CYS  32   4.753   4.320  -0.723
  238    HB2  CYS  32           2HB      CYS  32   2.982   1.904  -0.373
  239    HB3  CYS  32           1HB      CYS  32   2.853   3.332   0.645
  240    H    ALA  33           H        ALA  33   4.804   0.970   0.510
  241    HA   ALA  33           HA       ALA  33   6.105   1.863   2.945
  242    HB1  ALA  33           1HB      ALA  33   4.250   0.013   2.622
  243    HB2  ALA  33           2HB      ALA  33   5.476  -0.123   3.882
  244    HB3  ALA  33           3HB      ALA  33   5.657  -1.020   2.374
  Start of MODEL    4
    1    H1   ALA   1           1HT      ALA   1 -12.781  -1.323   5.244
    2    H2   ALA   1           2HT      ALA   1 -13.828  -1.706   6.550
    3    H3   ALA   1           3HT      ALA   1 -12.232  -1.158   6.859
    4    HA   ALA   1           HA       ALA   1 -14.070   0.467   7.171
    5    HB1  ALA   1           2HB      ALA   1 -12.681   2.208   5.766
    6    HB2  ALA   1           3HB      ALA   1 -11.569   0.848   5.609
    7    HB3  ALA   1           1HB      ALA   1 -12.006   1.448   7.208
    8    H    ASP   2           H        ASP   2 -15.636   1.726   6.241
    9    HA   ASP   2           HA       ASP   2 -16.523   0.887   3.595
   10    HB2  ASP   2           2HB      ASP   2 -17.923   1.315   5.867
   11    HB3  ASP   2           1HB      ASP   2 -18.086   2.898   5.110
   12    H    ARG   3           H        ARG   3 -15.687   3.870   5.323
   13    HA   ARG   3           HA       ARG   3 -15.778   5.362   2.811
   14    HB2  ARG   3           2HB      ARG   3 -16.067   6.022   5.637
   15    HB3  ARG   3           1HB      ARG   3 -14.981   7.124   4.802
   16    HG2  ARG   3           2HG      ARG   3 -16.831   8.231   4.240
   17    HG3  ARG   3           1HG      ARG   3 -17.072   6.949   3.052
   18    HD2  ARG   3           2HD      ARG   3 -19.098   6.897   4.111
   19    HD3  ARG   3           1HD      ARG   3 -18.208   5.734   5.094
   20    HE   ARG   3           HE       ARG   3 -18.434   7.150   6.865
   21   HH11  ARG   3          1HH1      ARG   3 -18.870   8.993   3.933
   22   HH12  ARG   3          2HH1      ARG   3 -19.295  10.450   4.765
   23   HH21  ARG   3          1HH2      ARG   3 -18.994   9.067   7.961
   24   HH22  ARG   3          2HH2      ARG   3 -19.366  10.493   7.051
   25    H    GLY   4           H        GLY   4 -13.972   4.967   1.649
   26    HA2  GLY   4           2HA      GLY   4 -11.585   6.213   2.123
   27    HA3  GLY   4           1HA      GLY   4 -11.393   4.634   2.868
   28    H    TRP   5           H        TRP   5 -11.647   6.396  -0.106
   29    HA   TRP   5           HA       TRP   5 -11.337   3.933  -1.664
   30    HB2  TRP   5           2HB      TRP   5 -12.942   6.070  -2.132
   31    HB3  TRP   5           1HB      TRP   5 -11.525   6.526  -3.073
   32    HD1  TRP   5           HD       TRP   5 -10.848   3.419  -3.926
   33    HE1  TRP   5           1HE      TRP   5 -12.274   2.374  -5.799
   34    HE3  TRP   5           3HE      TRP   5 -14.894   6.537  -3.703
   35    HZ2  TRP   5           2HZ      TRP   5 -14.782   2.814  -7.020
   36    HZ3  TRP   5           3HZ      TRP   5 -16.763   6.157  -5.259
   37    HH2  TRP   5           HH       TRP   5 -16.706   4.334  -6.881
   38    H    ILE   6           H        ILE   6 -10.057   5.283  -3.902
   39    HA   ILE   6           HA       ILE   6  -7.993   5.784  -4.713
   40    HB   ILE   6           HB       ILE   6  -7.310   6.677  -1.914
   41   HG12  ILE   6          2HG1      ILE   6  -7.947   8.751  -3.874
   42   HG13  ILE   6          1HG1      ILE   6  -9.318   7.705  -3.518
   43   HG21  ILE   6          1HG2      ILE   6  -6.029   7.028  -4.591
   44   HG22  ILE   6          2HG2      ILE   6  -5.298   6.585  -3.048
   45   HG23  ILE   6          3HG2      ILE   6  -5.810   8.247  -3.335
   46   HD11  ILE   6          3HD1      ILE   6  -7.681   9.134  -1.439
   47   HD12  ILE   6          1HD1      ILE   6  -9.165   8.217  -1.180
   48   HD13  ILE   6          2HD1      ILE   6  -9.208   9.721  -2.101
   49    H    LYS   7           H        LYS   7  -7.782   3.444  -4.923
   50    HA   LYS   7           HA       LYS   7  -6.568   1.811  -2.988
   51    HB2  LYS   7           2HB      LYS   7  -6.149   0.246  -4.816
   52    HB3  LYS   7           1HB      LYS   7  -7.771   0.916  -4.933
   53    HG2  LYS   7           2HG      LYS   7  -5.625   2.287  -6.442
   54    HG3  LYS   7           1HG      LYS   7  -6.154   0.709  -7.025
   55    HD2  LYS   7           2HD      LYS   7  -7.946   1.642  -7.950
   56    HD3  LYS   7           1HD      LYS   7  -8.466   2.231  -6.369
   57    HE2  LYS   7           2HE      LYS   7  -7.193   4.254  -6.647
   58    HE3  LYS   7           1HE      LYS   7  -6.485   3.650  -8.145
   59    HZ1  LYS   7           3HZ      LYS   7  -8.466   3.910  -9.283
   60    HZ2  LYS   7           1HZ      LYS   7  -8.449   5.271  -8.278
   61    HZ3  LYS   7           2HZ      LYS   7  -9.408   3.937  -7.879
   62    H    DBB   8           H        DBB   8  -4.454   1.220  -2.611
   63    HA   DBB   8           HA       DBB   8  -2.243   1.849  -4.188
   64    HB3  DBB   8           HB       DBB   8  -2.070   0.172  -2.497
   65    HG1  DBB   8          3HG2      DBB   8  -0.073   1.851  -2.897
   66    HG2  DBB   8          1HG2      DBB   8   0.004   0.597  -1.663
   67    HG3  DBB   8          2HG2      DBB   8  -0.384   2.253  -1.207
   68    H    LEU   9           H        LEU   9  -3.660   3.605  -1.455
   69    HA   LEU   9           HA       LEU   9  -2.955   6.126  -2.491
   70    HB2  LEU   9           2HB      LEU   9  -4.843   6.059  -1.111
   71    HB3  LEU   9           1HB      LEU   9  -4.000   5.184   0.152
   72    HG   LEU   9           HG       LEU   9  -3.052   7.932  -0.487
   73   HD11  LEU   9          1HD1      LEU   9  -5.285   8.532  -0.406
   74   HD12  LEU   9          2HD1      LEU   9  -4.793   8.685   1.281
   75   HD13  LEU   9          3HD1      LEU   9  -5.691   7.263   0.750
   76   HD21  LEU   9          3HD2      LEU   9  -2.235   6.146   1.301
   77   HD22  LEU   9          1HD2      LEU   9  -3.528   6.880   2.250
   78   HD23  LEU   9          2HD2      LEU   9  -2.211   7.878   1.633
   79    H    DBB  10           H        DBB  10  -1.455   4.113  -0.022
   80    HA   DBB  10           HA       DBB  10   0.346   6.008   0.965
   81    HB3  DBB  10           HB       DBB  10   1.257   6.088  -1.275
   82    HG1  DBB  10          3HG2      DBB  10   3.610   5.198  -0.832
   83    HG2  DBB  10          1HG2      DBB  10   2.996   4.708   0.747
   84    HG3  DBB  10          2HG2      DBB  10   2.974   6.407   0.281
   85    H    LYS  11           H        LYS  11   1.405   5.251   2.701
   86    HA   LYS  11           HA       LYS  11   2.172   2.553   3.082
   87    HB2  LYS  11           2HB      LYS  11   1.830   4.815   5.054
   88    HB3  LYS  11           1HB      LYS  11   2.539   3.257   5.454
   89    HG2  LYS  11           2HG      LYS  11   4.377   3.632   3.984
   90    HG3  LYS  11           1HG      LYS  11   3.620   5.082   3.321
   91    HD2  LYS  11           2HD      LYS  11   4.980   6.111   4.811
   92    HD3  LYS  11           1HD      LYS  11   3.655   5.748   5.919
   93    HE2  LYS  11           2HE      LYS  11   5.145   4.676   7.180
   94    HE3  LYS  11           1HE      LYS  11   5.196   3.441   5.923
   95    HZ1  LYS  11           3HZ      LYS  11   7.007   4.670   4.866
   96    HZ2  LYS  11           1HZ      LYS  11   7.408   4.208   6.444
   97    HZ3  LYS  11           2HZ      LYS  11   6.976   5.810   6.115
   98    H    ASP  12           H        ASP  12  -0.871   3.983   3.203
   99    HA   ASP  12           HA       ASP  12  -1.930   2.261   5.283
  100    HB2  ASP  12           2HB      ASP  12  -2.784   4.671   3.923
  101    HB3  ASP  12           1HB      ASP  12  -4.072   3.470   3.941
  102    H    CYS  13           H        CYS  13  -0.785   1.110   2.799
  103    HA   CYS  13           HA       CYS  13  -3.176  -0.306   1.822
  104    HB2  CYS  13           2HB      CYS  13  -0.637   0.496   0.417
  105    HB3  CYS  13           1HB      CYS  13  -1.641  -0.814  -0.194
  106    HA   PRO  14           HA       PRO  14  -0.540  -3.508   3.765
  107    HB2  PRO  14           2HB      PRO  14  -2.397  -4.408   5.545
  108    HB3  PRO  14           1HB      PRO  14  -1.297  -3.069   5.872
  109    HG2  PRO  14           2HG      PRO  14  -4.173  -3.019   5.460
  110    HG3  PRO  14           1HG      PRO  14  -3.110  -1.730   6.039
  111    HD2  PRO  14           2HD      PRO  14  -4.211  -2.155   3.372
  112    HD3  PRO  14           1HD      PRO  14  -3.392  -0.725   4.031
  113    H    ASN  15           H        ASN  15  -2.203  -3.699   1.325
  114    HA   ASN  15           HA       ASN  15  -2.276  -6.476   1.053
  115    HB2  ASN  15           2HB      ASN  15  -4.722  -5.280   2.138
  116    HB3  ASN  15           1HB      ASN  15  -4.998  -6.255   0.699
  117   HD21  ASN  15          1HD2      ASN  15  -5.374  -6.501   3.769
  118   HD22  ASN  15          2HD2      ASN  15  -4.847  -8.115   4.087
  119    H    VAL  16           H        VAL  16  -4.903  -4.487  -0.205
  120    HA   VAL  16           HA       VAL  16  -5.483  -3.998  -2.361
  121    HB   VAL  16           HB       VAL  16  -2.574  -3.238  -2.631
  122   HG11  VAL  16          1HG1      VAL  16  -3.963  -1.355  -3.957
  123   HG12  VAL  16          2HG1      VAL  16  -5.027  -2.742  -4.192
  124   HG13  VAL  16          3HG1      VAL  16  -3.344  -2.824  -4.713
  125   HG21  VAL  16          3HG2      VAL  16  -3.100  -2.074  -0.726
  126   HG22  VAL  16          1HG2      VAL  16  -4.812  -1.963  -1.134
  127   HG23  VAL  16          2HG2      VAL  16  -3.641  -0.931  -1.954
  128    H    ILE  17           H        ILE  17  -5.876  -6.172  -3.025
  129    HA   ILE  17           HA       ILE  17  -3.918  -7.122  -4.992
  130    HB   ILE  17           HB       ILE  17  -5.486  -9.061  -3.319
  131   HG12  ILE  17          2HG1      ILE  17  -2.903  -9.261  -2.397
  132   HG13  ILE  17          1HG1      ILE  17  -3.100  -7.520  -2.568
  133   HG21  ILE  17          1HG2      ILE  17  -4.505  -9.735  -5.519
  134   HG22  ILE  17          2HG2      ILE  17  -3.942 -10.677  -4.139
  135   HG23  ILE  17          3HG2      ILE  17  -2.910  -9.426  -4.832
  136   HD11  ILE  17          3HD1      ILE  17  -3.948  -9.151  -0.459
  137   HD12  ILE  17          1HD1      ILE  17  -5.409  -8.636  -1.300
  138   HD13  ILE  17          2HD1      ILE  17  -4.271  -7.434  -0.695
  139    H    SER  18           H        SER  18  -4.758  -7.668  -6.892
  140    HA   SER  18           HA       SER  18  -7.251  -8.788  -7.402
  141    HB2  SER  18           2HB      SER  18  -8.033  -6.452  -8.582
  142    HB3  SER  18           1HB      SER  18  -8.603  -7.010  -7.010
  143    HG   SER  18           HG       SER  18  -7.837  -5.103  -6.459
  144    H    SER  19           H        SER  19  -4.802  -6.535  -8.564
  145    HA   SER  19           HA       SER  19  -4.039  -8.136 -10.733
  146    HB2  SER  19           2HB      SER  19  -4.855  -6.618 -12.588
  147    HB3  SER  19           1HB      SER  19  -6.105  -7.586 -11.806
  148    HG   SER  19           HG       SER  19  -5.508  -4.859 -11.296
  149    H    ILE  20           H        ILE  20  -2.060  -7.533  -9.726
  150    HA   ILE  20           HA       ILE  20  -0.132  -6.340  -9.524
  151    HB   ILE  20           HB       ILE  20  -1.193  -4.656 -11.785
  152   HG12  ILE  20          2HG1      ILE  20   0.393  -7.223 -11.923
  153   HG13  ILE  20          1HG1      ILE  20  -1.322  -7.076 -12.292
  154   HG21  ILE  20          1HG2      ILE  20   0.859  -3.762 -11.959
  155   HG22  ILE  20          2HG2      ILE  20   1.664  -5.292 -11.609
  156   HG23  ILE  20          3HG2      ILE  20   1.048  -4.295 -10.288
  157   HD11  ILE  20          3HD1      ILE  20   1.000  -5.922 -13.801
  158   HD12  ILE  20          1HD1      ILE  20  -0.664  -5.400 -14.061
  159   HD13  ILE  20          2HD1      ILE  20  -0.209  -7.077 -14.361
  160    H    CYS  21           H        CYS  21  -2.118  -5.617  -7.775
  161    HA   CYS  21           HA       CYS  21  -2.792  -3.988  -6.344
  162    HB2  CYS  21           2HB      CYS  21  -0.260  -2.653  -7.304
  163    HB3  CYS  21           1HB      CYS  21  -1.127  -2.294  -5.825
  164    H    ALA  22           H        ALA  22  -3.434  -3.761  -9.331
  165    HA   ALA  22           HA       ALA  22  -4.555  -2.365 -10.723
  166    HB1  ALA  22           1HB      ALA  22  -5.252  -0.428  -8.616
  167    HB2  ALA  22           2HB      ALA  22  -5.715  -2.101  -8.301
  168    HB3  ALA  22           3HB      ALA  22  -6.285  -1.288  -9.759
  169    H    GLY  23           H        GLY  23  -4.618  -0.177 -11.662
  170    HA2  GLY  23           2HA      GLY  23  -3.704   1.941 -12.072
  171    HA3  GLY  23           1HA      GLY  23  -2.503   1.641 -10.824
  172    H    THR  24           H        THR  24  -0.501   1.370 -11.518
  173    HA   THR  24           HA       THR  24   0.064   1.115 -14.315
  174    HB   THR  24           HB       THR  24   1.467   2.487 -12.838
  175    HG1  THR  24           1HG      THR  24   2.913   0.272 -13.855
  176   HG21  THR  24          3HG2      THR  24   3.059   1.469 -11.311
  177   HG22  THR  24          1HG2      THR  24   2.334  -0.114 -11.598
  178   HG23  THR  24          2HG2      THR  24   1.399   1.154 -10.806
  179    H    ILE  25           H        ILE  25   1.434  -0.536 -15.252
  180    HA   ILE  25           HA       ILE  25   1.192  -3.145 -13.909
  181    HB   ILE  25           HB       ILE  25   0.888  -4.183 -16.123
  182   HG12  ILE  25          2HG1      ILE  25  -0.036  -2.227 -17.791
  183   HG13  ILE  25          1HG1      ILE  25   1.299  -1.401 -16.994
  184   HG21  ILE  25          1HG2      ILE  25  -1.372  -3.950 -16.076
  185   HG22  ILE  25          2HG2      ILE  25  -1.299  -2.189 -15.995
  186   HG23  ILE  25          3HG2      ILE  25  -0.989  -3.152 -14.550
  187   HD11  ILE  25          3HD1      ILE  25   1.428  -3.140 -19.165
  188   HD12  ILE  25          1HD1      ILE  25   2.095  -4.036 -17.801
  189   HD13  ILE  25          2HD1      ILE  25   2.774  -2.470 -18.243
  190    H    ILE  26           H        ILE  26   3.102  -4.034 -13.524
  191    HA   ILE  26           HA       ILE  26   5.264  -3.703 -15.478
  192    HB   ILE  26           HB       ILE  26   5.740  -3.421 -12.513
  193   HG12  ILE  26          2HG1      ILE  26   6.349  -0.983 -13.575
  194   HG13  ILE  26          1HG1      ILE  26   4.948  -1.433 -14.542
  195   HG21  ILE  26          1HG2      ILE  26   7.958  -2.797 -13.110
  196   HG22  ILE  26          2HG2      ILE  26   7.547  -2.746 -14.824
  197   HG23  ILE  26          3HG2      ILE  26   7.582  -4.288 -13.971
  198   HD11  ILE  26          3HD1      ILE  26   4.520  -0.087 -12.444
  199   HD12  ILE  26          1HD1      ILE  26   4.925  -1.552 -11.547
  200   HD13  ILE  26          2HD1      ILE  26   3.557  -1.550 -12.660
  201    H    THR  27           H        THR  27   4.821  -5.172 -12.256
  202    HA   THR  27           HA       THR  27   4.936  -7.837 -13.306
  203    HB   THR  27           HB       THR  27   7.159  -7.368 -11.403
  204    HG1  THR  27           1HG      THR  27   7.430  -6.697 -14.141
  205   HG21  THR  27          3HG2      THR  27   8.317  -8.982 -12.797
  206   HG22  THR  27          1HG2      THR  27   6.966  -8.986 -13.932
  207   HG23  THR  27          2HG2      THR  27   6.742  -9.595 -12.291
  208    H    ALA  28           H        ALA  28   5.936  -6.295 -10.250
  209    HA   ALA  28           HA       ALA  28   3.776  -7.786  -8.906
  210    HB1  ALA  28           1HB      ALA  28   6.633  -7.412  -8.171
  211    HB2  ALA  28           2HB      ALA  28   5.601  -8.835  -8.018
  212    HB3  ALA  28           3HB      ALA  28   5.438  -7.500  -6.877
  213    H    CYS  29           H        CYS  29   3.923  -4.999 -10.026
  214    HA   CYS  29           HA       CYS  29   3.226  -2.913  -9.518
  215    HB2  CYS  29           2HB      CYS  29   1.400  -2.759  -8.155
  216    HB3  CYS  29           1HB      CYS  29   1.459  -4.503  -8.349
  217    H    LYS  30           H        LYS  30   4.023  -1.080  -8.619
  218    HA   LYS  30           HA       LYS  30   6.428  -1.255  -7.145
  219    HB2  LYS  30           2HB      LYS  30   5.673   0.586  -8.764
  220    HB3  LYS  30           1HB      LYS  30   4.765   1.241  -7.408
  221    HG2  LYS  30           2HG      LYS  30   6.577   2.227  -6.606
  222    HG3  LYS  30           1HG      LYS  30   7.456   0.697  -6.592
  223    HD2  LYS  30           2HD      LYS  30   7.087   2.251  -9.130
  224    HD3  LYS  30           1HD      LYS  30   8.390   2.640  -8.006
  225    HE2  LYS  30           2HE      LYS  30   9.612   0.934  -8.745
  226    HE3  LYS  30           1HE      LYS  30   8.287  -0.196  -8.468
  227    HZ1  LYS  30           3HZ      LYS  30   9.271   0.340 -10.872
  228    HZ2  LYS  30           1HZ      LYS  30   8.043   1.503 -10.813
  229    HZ3  LYS  30           2HZ      LYS  30   7.668  -0.134 -10.617
  230    H    ASN  31           H        ASN  31   3.101  -0.793  -6.230
  231    HA   ASN  31           HA       ASN  31   2.054  -0.652  -4.215
  232    HB2  ASN  31           2HB      ASN  31   3.863  -2.658  -3.973
  233    HB3  ASN  31           1HB      ASN  31   4.386  -1.601  -2.665
  234   HD21  ASN  31          1HD2      ASN  31   3.750  -2.987  -1.054
  235   HD22  ASN  31          2HD2      ASN  31   2.091  -3.304  -0.686
  236    H    CYS  32           H        CYS  32   2.808  -0.050  -1.679
  237    HA   CYS  32           HA       CYS  32   4.122   2.575  -1.956
  238    HB2  CYS  32           2HB      CYS  32   1.615   1.758  -0.580
  239    HB3  CYS  32           1HB      CYS  32   2.606   2.975   0.210
  240    H    ALA  33           H        ALA  33   3.501  -0.166   0.193
  241    HA   ALA  33           HA       ALA  33   5.332   0.713   2.209
  242    HB1  ALA  33           1HB      ALA  33   3.285  -1.009   2.249
  243    HB2  ALA  33           2HB      ALA  33   4.597  -1.048   3.428
  244    HB3  ALA  33           3HB      ALA  33   4.615  -2.150   2.052
  Start of MODEL    5
    1    H1   ALA   1           1HT      ALA   1 -10.696  13.749 -12.908
    2    H2   ALA   1           2HT      ALA   1 -12.101  13.337 -13.804
    3    H3   ALA   1           3HT      ALA   1 -10.704  12.344 -13.888
    4    HA   ALA   1           HA       ALA   1 -10.963  11.558 -11.777
    5    HB1  ALA   1           2HB      ALA   1 -11.971  12.634 -10.059
    6    HB2  ALA   1           3HB      ALA   1 -13.271  13.264 -11.070
    7    HB3  ALA   1           1HB      ALA   1 -11.685  14.037 -11.090
    8    H    ASP   2           H        ASP   2 -11.650   9.951 -13.345
    9    HA   ASP   2           HA       ASP   2 -14.532   9.740 -13.774
   10    HB2  ASP   2           2HB      ASP   2 -12.115   8.563 -15.037
   11    HB3  ASP   2           1HB      ASP   2 -13.570   7.570 -15.028
   12    H    ARG   3           H        ARG   3 -12.006   7.359 -12.958
   13    HA   ARG   3           HA       ARG   3 -13.914   5.768 -11.496
   14    HB2  ARG   3           2HB      ARG   3 -11.009   5.485 -12.187
   15    HB3  ARG   3           1HB      ARG   3 -11.733   4.439 -10.973
   16    HG2  ARG   3           2HG      ARG   3 -12.584   3.132 -12.541
   17    HG3  ARG   3           1HG      ARG   3 -13.405   4.501 -13.292
   18    HD2  ARG   3           2HD      ARG   3 -10.482   4.021 -13.741
   19    HD3  ARG   3           1HD      ARG   3 -11.695   3.153 -14.682
   20    HE   ARG   3           HE       ARG   3 -12.445   5.741 -14.935
   21   HH11  ARG   3          1HH1      ARG   3  -9.430   4.062 -15.456
   22   HH12  ARG   3          2HH1      ARG   3  -8.903   5.139 -16.706
   23   HH21  ARG   3          1HH2      ARG   3 -11.754   7.157 -16.579
   24   HH22  ARG   3          2HH2      ARG   3 -10.222   6.896 -17.343
   25    H    GLY   4           H        GLY   4 -14.517   6.362  -9.519
   26    HA2  GLY   4           2HA      GLY   4 -12.679   7.851  -7.813
   27    HA3  GLY   4           1HA      GLY   4 -14.384   7.561  -7.503
   28    H    TRP   5           H        TRP   5 -11.462   5.565  -7.973
   29    HA   TRP   5           HA       TRP   5 -12.286   4.005  -5.613
   30    HB2  TRP   5           2HB      TRP   5 -12.047   2.963  -8.031
   31    HB3  TRP   5           1HB      TRP   5 -10.337   2.930  -7.609
   32    HD1  TRP   5           HD       TRP   5 -10.340   1.965  -4.686
   33    HE1  TRP   5           1HE      TRP   5 -11.187  -0.379  -4.041
   34    HE3  TRP   5           3HE      TRP   5 -13.282   1.015  -8.758
   35    HZ2  TRP   5           2HZ      TRP   5 -12.877  -2.368  -5.117
   36    HZ3  TRP   5           3HZ      TRP   5 -14.478  -1.132  -8.873
   37    HH2  TRP   5           HH       TRP   5 -14.279  -2.786  -7.090
   38    H    ILE   6           H        ILE   6 -10.948   3.890  -3.913
   39    HA   ILE   6           HA       ILE   6  -8.369   5.274  -4.120
   40    HB   ILE   6           HB       ILE   6  -9.828   4.459  -1.605
   41   HG12  ILE   6          2HG1      ILE   6  -9.716   7.309  -2.366
   42   HG13  ILE   6          1HG1      ILE   6 -10.755   6.309  -3.376
   43   HG21  ILE   6          1HG2      ILE   6  -8.179   5.436  -0.422
   44   HG22  ILE   6          2HG2      ILE   6  -7.931   6.709  -1.618
   45   HG23  ILE   6          3HG2      ILE   6  -7.225   5.112  -1.870
   46   HD11  ILE   6          3HD1      ILE   6 -12.165   7.119  -1.719
   47   HD12  ILE   6          1HD1      ILE   6 -10.968   6.876  -0.448
   48   HD13  ILE   6          2HD1      ILE   6 -11.772   5.486  -1.179
   49    H    LYS   7           H        LYS   7  -6.771   3.907  -4.626
   50    HA   LYS   7           HA       LYS   7  -6.350   1.592  -2.894
   51    HB2  LYS   7           2HB      LYS   7  -5.870   0.117  -4.779
   52    HB3  LYS   7           1HB      LYS   7  -7.524   0.710  -4.858
   53    HG2  LYS   7           2HG      LYS   7  -5.691   2.418  -6.313
   54    HG3  LYS   7           1HG      LYS   7  -5.651   0.752  -6.891
   55    HD2  LYS   7           2HD      LYS   7  -8.033   0.768  -7.251
   56    HD3  LYS   7           1HD      LYS   7  -8.170   2.369  -6.520
   57    HE2  LYS   7           2HE      LYS   7  -6.755   3.280  -8.323
   58    HE3  LYS   7           1HE      LYS   7  -6.702   1.682  -9.065
   59    HZ1  LYS   7           3HZ      LYS   7  -8.409   2.663 -10.207
   60    HZ2  LYS   7           1HZ      LYS   7  -8.942   3.573  -8.883
   61    HZ3  LYS   7           2HZ      LYS   7  -9.277   1.917  -8.962
   62    H    DBB   8           H        DBB   8  -4.238   1.182  -2.453
   63    HA   DBB   8           HA       DBB   8  -2.045   1.872  -4.036
   64    HB3  DBB   8           HB       DBB   8  -1.803   0.228  -2.308
   65    HG1  DBB   8          3HG2      DBB   8   0.166   0.884  -1.150
   66    HG2  DBB   8          1HG2      DBB   8  -0.241   2.592  -1.293
   67    HG3  DBB   8          2HG2      DBB   8   0.216   1.675  -2.726
   68    H    LEU   9           H        LEU   9  -3.691   3.681  -1.487
   69    HA   LEU   9           HA       LEU   9  -2.856   6.159  -2.574
   70    HB2  LEU   9           2HB      LEU   9  -3.871   7.114  -0.452
   71    HB3  LEU   9           1HB      LEU   9  -4.929   6.226  -1.526
   72    HG   LEU   9           HG       LEU   9  -5.057   5.887   1.066
   73   HD11  LEU   9          1HD1      LEU   9  -5.286   3.244   0.256
   74   HD12  LEU   9          2HD1      LEU   9  -5.587   4.185  -1.203
   75   HD13  LEU   9          3HD1      LEU   9  -6.550   4.472   0.246
   76   HD21  LEU   9          3HD2      LEU   9  -2.920   3.884   0.359
   77   HD22  LEU   9          1HD2      LEU   9  -3.719   4.079   1.917
   78   HD23  LEU   9          2HD2      LEU   9  -2.652   5.345   1.307
   79    H    DBB  10           H        DBB  10  -1.201   4.031  -0.548
   80    HA   DBB  10           HA       DBB  10   0.212   6.039   0.956
   81    HB3  DBB  10           HB       DBB  10   1.243   6.277  -1.252
   82    HG1  DBB  10          3HG2      DBB  10   3.632   5.690  -0.621
   83    HG2  DBB  10          1HG2      DBB  10   2.971   5.060   0.886
   84    HG3  DBB  10          2HG2      DBB  10   2.764   6.761   0.476
   85    H    LYS  11           H        LYS  11   1.344   5.229   2.660
   86    HA   LYS  11           HA       LYS  11   2.110   2.493   2.886
   87    HB2  LYS  11           2HB      LYS  11   1.849   4.557   5.078
   88    HB3  LYS  11           1HB      LYS  11   2.764   3.059   5.155
   89    HG2  LYS  11           2HG      LYS  11   4.364   3.849   3.602
   90    HG3  LYS  11           1HG      LYS  11   3.361   5.235   3.172
   91    HD2  LYS  11           2HD      LYS  11   4.881   6.210   4.600
   92    HD3  LYS  11           1HD      LYS  11   3.575   5.805   5.715
   93    HE2  LYS  11           2HE      LYS  11   4.961   4.548   6.910
   94    HE3  LYS  11           1HE      LYS  11   5.302   3.553   5.495
   95    HZ1  LYS  11           3HZ      LYS  11   6.676   6.126   6.022
   96    HZ2  LYS  11           1HZ      LYS  11   7.105   4.932   4.902
   97    HZ3  LYS  11           2HZ      LYS  11   7.274   4.638   6.559
   98    H    ASP  12           H        ASP  12  -0.881   3.969   3.136
   99    HA   ASP  12           HA       ASP  12  -1.929   2.309   5.256
  100    HB2  ASP  12           2HB      ASP  12  -2.884   4.583   3.645
  101    HB3  ASP  12           1HB      ASP  12  -4.127   3.412   4.073
  102    H    CYS  13           H        CYS  13  -0.822   1.027   2.813
  103    HA   CYS  13           HA       CYS  13  -3.244  -0.392   1.922
  104    HB2  CYS  13           2HB      CYS  13  -0.644   0.049   0.439
  105    HB3  CYS  13           1HB      CYS  13  -1.977  -0.941  -0.143
  106    HA   PRO  14           HA       PRO  14  -0.611  -3.578   3.929
  107    HB2  PRO  14           2HB      PRO  14  -2.283  -4.207   5.973
  108    HB3  PRO  14           1HB      PRO  14  -1.119  -2.884   6.052
  109    HG2  PRO  14           2HG      PRO  14  -4.025  -2.770   5.923
  110    HG3  PRO  14           1HG      PRO  14  -2.873  -1.476   6.286
  111    HD2  PRO  14           2HD      PRO  14  -4.231  -2.088   3.776
  112    HD3  PRO  14           1HD      PRO  14  -3.325  -0.635   4.233
  113    H    ASN  15           H        ASN  15  -3.022  -3.655   1.910
  114    HA   ASN  15           HA       ASN  15  -3.437  -6.544   2.192
  115    HB2  ASN  15           2HB      ASN  15  -5.425  -5.169   3.044
  116    HB3  ASN  15           1HB      ASN  15  -5.685  -4.716   1.362
  117   HD21  ASN  15          1HD2      ASN  15  -7.474  -6.166   3.036
  118   HD22  ASN  15          2HD2      ASN  15  -7.703  -7.722   2.320
  119    H    VAL  16           H        VAL  16  -1.824  -6.677   0.533
  120    HA   VAL  16           HA       VAL  16  -2.854  -6.989  -2.042
  121    HB   VAL  16           HB       VAL  16  -2.901  -4.534  -2.108
  122   HG11  VAL  16          1HG1      VAL  16   0.043  -4.306  -2.173
  123   HG12  VAL  16          2HG1      VAL  16  -0.693  -4.557  -0.590
  124   HG13  VAL  16          3HG1      VAL  16  -1.173  -3.176  -1.577
  125   HG21  VAL  16          3HG2      VAL  16  -1.606  -4.240  -4.187
  126   HG22  VAL  16          1HG2      VAL  16  -2.552  -5.730  -4.181
  127   HG23  VAL  16          2HG2      VAL  16  -0.814  -5.788  -3.887
  128    H    ILE  17           H        ILE  17  -1.718  -8.794  -2.398
  129    HA   ILE  17           HA       ILE  17   1.097  -8.642  -2.854
  130    HB   ILE  17           HB       ILE  17   1.290  -8.955  -0.502
  131   HG12  ILE  17          2HG1      ILE  17   1.541 -11.672  -1.800
  132   HG13  ILE  17          1HG1      ILE  17   2.738 -10.387  -1.915
  133   HG21  ILE  17          1HG2      ILE  17  -1.098  -9.709  -0.228
  134   HG22  ILE  17          2HG2      ILE  17   0.084 -10.534   0.790
  135   HG23  ILE  17          3HG2      ILE  17  -0.549 -11.331  -0.651
  136   HD11  ILE  17          3HD1      ILE  17   1.884 -11.812   0.595
  137   HD12  ILE  17          1HD1      ILE  17   3.044 -10.487   0.519
  138   HD13  ILE  17          2HD1      ILE  17   3.407 -12.022  -0.269
  139    H    SER  18           H        SER  18   1.925 -10.576  -3.829
  140    HA   SER  18           HA       SER  18   1.846 -12.559  -4.984
  141    HB2  SER  18           2HB      SER  18  -1.125 -12.775  -4.553
  142    HB3  SER  18           1HB      SER  18   0.048 -14.063  -4.820
  143    HG   SER  18           HG       SER  18   0.343 -14.149  -2.751
  144    H    SER  19           H        SER  19  -1.002 -10.476  -5.486
  145    HA   SER  19           HA       SER  19  -0.871 -10.975  -8.354
  146    HB2  SER  19           2HB      SER  19  -2.828  -8.997  -7.627
  147    HB3  SER  19           1HB      SER  19  -3.077 -10.605  -8.306
  148    HG   SER  19           HG       SER  19  -3.313  -9.732  -5.713
  149    H    ILE  20           H        ILE  20   1.193  -9.390  -6.883
  150    HA   ILE  20           HA       ILE  20   2.496  -7.570  -7.293
  151    HB   ILE  20           HB       ILE  20   0.712  -7.228  -9.708
  152   HG12  ILE  20          2HG1      ILE  20   3.519  -8.280  -9.755
  153   HG13  ILE  20          1HG1      ILE  20   2.189  -9.359  -9.344
  154   HG21  ILE  20          1HG2      ILE  20   3.184  -6.132 -10.276
  155   HG22  ILE  20          2HG2      ILE  20   2.842  -5.588  -8.633
  156   HG23  ILE  20          3HG2      ILE  20   1.698  -5.249  -9.930
  157   HD11  ILE  20          3HD1      ILE  20   2.457  -9.667 -11.621
  158   HD12  ILE  20          1HD1      ILE  20   2.745  -7.953 -11.920
  159   HD13  ILE  20          2HD1      ILE  20   1.122  -8.519 -11.526
  160    H    CYS  21           H        CYS  21   2.507  -5.648  -6.309
  161    HA   CYS  21           HA       CYS  21   0.254  -4.583  -5.073
  162    HB2  CYS  21           2HB      CYS  21   2.718  -2.976  -5.750
  163    HB3  CYS  21           1HB      CYS  21   1.628  -2.763  -4.385
  164    H    ALA  22           H        ALA  22   1.403  -4.155  -8.287
  165    HA   ALA  22           HA       ALA  22   0.438  -3.143 -10.090
  166    HB1  ALA  22           1HB      ALA  22  -1.779  -2.761 -10.077
  167    HB2  ALA  22           2HB      ALA  22  -1.706  -1.766  -8.621
  168    HB3  ALA  22           3HB      ALA  22  -1.703  -3.525  -8.489
  169    H    GLY  23           H        GLY  23   0.882  -1.268 -11.115
  170    HA2  GLY  23           2HA      GLY  23   0.718   1.311 -10.222
  171    HA3  GLY  23           1HA      GLY  23   2.278   0.755  -9.637
  172    H    THR  24           H        THR  24   3.461  -0.570 -11.505
  173    HA   THR  24           HA       THR  24   3.079   0.556 -14.132
  174    HB   THR  24           HB       THR  24   5.416   1.471 -14.230
  175    HG1  THR  24           1HG      THR  24   6.093   0.348 -12.278
  176   HG21  THR  24          3HG2      THR  24   3.529   3.000 -13.942
  177   HG22  THR  24          1HG2      THR  24   4.976   3.563 -13.106
  178   HG23  THR  24          2HG2      THR  24   3.663   2.822 -12.192
  179    H    ILE  25           H        ILE  25   5.198  -0.111 -15.488
  180    HA   ILE  25           HA       ILE  25   5.240  -2.965 -15.392
  181    HB   ILE  25           HB       ILE  25   6.844  -2.797 -17.274
  182   HG12  ILE  25          2HG1      ILE  25   6.452   0.133 -17.478
  183   HG13  ILE  25          1HG1      ILE  25   7.572  -0.412 -16.233
  184   HG21  ILE  25          1HG2      ILE  25   4.658  -0.872 -17.896
  185   HG22  ILE  25          2HG2      ILE  25   4.240  -2.504 -17.375
  186   HG23  ILE  25          3HG2      ILE  25   5.230  -2.264 -18.815
  187   HD11  ILE  25          3HD1      ILE  25   8.984  -1.433 -17.815
  188   HD12  ILE  25          1HD1      ILE  25   8.569   0.150 -18.475
  189   HD13  ILE  25          2HD1      ILE  25   7.775  -1.300 -19.092
  190    H    ILE  26           H        ILE  26   6.080  -2.769 -13.047
  191    HA   ILE  26           HA       ILE  26   9.009  -2.587 -12.991
  192    HB   ILE  26           HB       ILE  26   7.789  -1.243 -11.324
  193   HG12  ILE  26          2HG1      ILE  26   9.264  -3.525  -9.998
  194   HG13  ILE  26          1HG1      ILE  26  10.064  -2.222 -10.873
  195   HG21  ILE  26          1HG2      ILE  26   6.179  -2.026  -9.972
  196   HG22  ILE  26          2HG2      ILE  26   7.019  -3.549  -9.682
  197   HG23  ILE  26          3HG2      ILE  26   6.067  -3.332 -11.151
  198   HD11  ILE  26          3HD1      ILE  26   8.657  -0.728  -9.216
  199   HD12  ILE  26          1HD1      ILE  26  10.212  -1.420  -8.756
  200   HD13  ILE  26          2HD1      ILE  26   8.714  -2.194  -8.237
  201    H    THR  27           H        THR  27  10.196  -4.214 -11.746
  202    HA   THR  27           HA       THR  27   9.783  -6.797 -12.619
  203    HB   THR  27           HB       THR  27  11.366  -7.476 -10.808
  204    HG1  THR  27           1HG      THR  27  11.576  -6.244  -9.144
  205   HG21  THR  27          3HG2      THR  27  12.279  -6.602 -12.887
  206   HG22  THR  27          1HG2      THR  27  13.261  -6.129 -11.500
  207   HG23  THR  27          2HG2      THR  27  12.171  -4.962 -12.249
  208    H    ALA  28           H        ALA  28   9.279  -5.714  -9.249
  209    HA   ALA  28           HA       ALA  28   7.393  -7.935  -8.906
  210    HB1  ALA  28           1HB      ALA  28   8.789  -8.208  -7.147
  211    HB2  ALA  28           2HB      ALA  28   7.705  -7.030  -6.407
  212    HB3  ALA  28           3HB      ALA  28   9.238  -6.504  -7.100
  213    H    CYS  29           H        CYS  29   7.670  -4.687  -7.486
  214    HA   CYS  29           HA       CYS  29   5.283  -3.689  -8.541
  215    HB2  CYS  29           2HB      CYS  29   3.722  -3.990  -6.858
  216    HB3  CYS  29           1HB      CYS  29   4.517  -5.550  -6.911
  217    H    LYS  30           H        LYS  30   4.968  -1.538  -8.011
  218    HA   LYS  30           HA       LYS  30   7.209  -0.116  -7.080
  219    HB2  LYS  30           2HB      LYS  30   5.075   0.561  -8.557
  220    HB3  LYS  30           1HB      LYS  30   4.562   1.217  -7.009
  221    HG2  LYS  30           2HG      LYS  30   7.298   1.853  -7.981
  222    HG3  LYS  30           1HG      LYS  30   5.919   2.666  -8.723
  223    HD2  LYS  30           2HD      LYS  30   5.873   2.578  -5.787
  224    HD3  LYS  30           1HD      LYS  30   7.191   3.523  -6.482
  225    HE2  LYS  30           2HE      LYS  30   5.763   5.038  -7.467
  226    HE3  LYS  30           1HE      LYS  30   4.423   3.895  -7.528
  227    HZ1  LYS  30           3HZ      LYS  30   3.960   5.538  -5.880
  228    HZ2  LYS  30           1HZ      LYS  30   5.457   5.300  -5.126
  229    HZ3  LYS  30           2HZ      LYS  30   4.283   4.083  -5.080
  230    H    ASN  31           H        ASN  31   4.127  -0.895  -5.564
  231    HA   ASN  31           HA       ASN  31   3.402  -0.812  -3.407
  232    HB2  ASN  31           2HB      ASN  31   5.532  -2.301  -3.300
  233    HB3  ASN  31           1HB      ASN  31   6.261  -0.917  -2.494
  234   HD21  ASN  31          1HD2      ASN  31   3.062  -2.447  -2.347
  235   HD22  ASN  31          2HD2      ASN  31   3.060  -2.668  -0.634
  236    H    CYS  32           H        CYS  32   3.693   0.370  -1.240
  237    HA   CYS  32           HA       CYS  32   4.490   3.148  -1.809
  238    HB2  CYS  32           2HB      CYS  32   2.095   1.985  -0.574
  239    HB3  CYS  32           1HB      CYS  32   2.792   3.313   0.342
  240    H    ALA  33           H        ALA  33   6.189   1.001  -0.756
  241    HA   ALA  33           HA       ALA  33   7.064   2.382   1.668
  242    HB1  ALA  33           1HB      ALA  33   5.774   0.589   2.573
  243    HB2  ALA  33           2HB      ALA  33   7.476   0.182   2.783
  244    HB3  ALA  33           3HB      ALA  33   6.539  -0.580   1.499
  Start of MODEL    6
    1    H1   ALA   1           1HT      ALA   1 -13.022  10.348  10.248
    2    H2   ALA   1           2HT      ALA   1 -13.877  11.331   9.131
    3    H3   ALA   1           3HT      ALA   1 -13.413  11.967  10.656
    4    HA   ALA   1           HA       ALA   1 -11.913  12.845   9.197
    5    HB1  ALA   1           2HB      ALA   1  -9.876  12.059  10.009
    6    HB2  ALA   1           3HB      ALA   1 -10.447  10.393  10.105
    7    HB3  ALA   1           1HB      ALA   1 -11.028  11.593  11.260
    8    H    ASP   2           H        ASP   2 -13.387  11.888   7.275
    9    HA   ASP   2           HA       ASP   2 -13.396  11.112   5.137
   10    HB2  ASP   2           2HB      ASP   2 -11.200  12.449   5.189
   11    HB3  ASP   2           1HB      ASP   2 -10.396  10.886   5.302
   12    H    ARG   3           H        ARG   3 -14.292   9.155   5.006
   13    HA   ARG   3           HA       ARG   3 -12.542   6.822   5.302
   14    HB2  ARG   3           2HB      ARG   3 -14.096   7.298   7.336
   15    HB3  ARG   3           1HB      ARG   3 -15.374   6.702   6.286
   16    HG2  ARG   3           2HG      ARG   3 -14.598   4.907   7.664
   17    HG3  ARG   3           1HG      ARG   3 -14.098   4.601   5.999
   18    HD2  ARG   3           2HD      ARG   3 -11.869   5.101   6.448
   19    HD3  ARG   3           1HD      ARG   3 -12.266   5.994   7.916
   20    HE   ARG   3           HE       ARG   3 -12.200   4.028   9.084
   21   HH11  ARG   3          1HH1      ARG   3 -12.401   3.302   5.677
   22   HH12  ARG   3          2HH1      ARG   3 -12.146   1.603   5.896
   23   HH21  ARG   3          1HH2      ARG   3 -11.865   1.793   9.375
   24   HH22  ARG   3          2HH2      ARG   3 -11.842   0.747   7.994
   25    H    GLY   4           H        GLY   4 -12.557   7.077   2.943
   26    HA2  GLY   4           2HA      GLY   4 -15.083   6.272   1.670
   27    HA3  GLY   4           1HA      GLY   4 -13.703   6.981   0.847
   28    H    TRP   5           H        TRP   5 -11.797   5.651   0.549
   29    HA   TRP   5           HA       TRP   5 -11.686   2.916   1.149
   30    HB2  TRP   5           2HB      TRP   5 -13.593   2.712  -0.367
   31    HB3  TRP   5           1HB      TRP   5 -12.698   3.544  -1.634
   32    HD1  TRP   5           HD       TRP   5 -11.088   0.791   0.500
   33    HE1  TRP   5           1HE      TRP   5 -10.530  -1.204  -1.026
   34    HE3  TRP   5           3HE      TRP   5 -13.336   2.404  -3.799
   35    HZ2  TRP   5           2HZ      TRP   5 -10.982  -1.991  -3.699
   36    HZ3  TRP   5           3HZ      TRP   5 -13.226   0.971  -5.796
   37    HH2  TRP   5           HH       TRP   5 -12.073  -1.180  -5.745
   38    H    ILE   6           H        ILE   6  -9.585   2.504   1.120
   39    HA   ILE   6           HA       ILE   6  -7.776   4.182  -0.386
   40    HB   ILE   6           HB       ILE   6  -7.060   1.780   1.292
   41   HG12  ILE   6          2HG1      ILE   6  -6.615   4.307   2.609
   42   HG13  ILE   6          1HG1      ILE   6  -8.312   4.153   2.165
   43   HG21  ILE   6          1HG2      ILE   6  -5.064   2.257   0.392
   44   HG22  ILE   6          2HG2      ILE   6  -5.047   3.595   1.542
   45   HG23  ILE   6          3HG2      ILE   6  -5.568   3.867  -0.121
   46   HD11  ILE   6          3HD1      ILE   6  -7.394   1.696   3.298
   47   HD12  ILE   6          1HD1      ILE   6  -8.667   2.781   3.856
   48   HD13  ILE   6          2HD1      ILE   6  -7.001   3.039   4.371
   49    H    LYS   7           H        LYS   7  -6.969   3.726  -2.331
   50    HA   LYS   7           HA       LYS   7  -7.070   0.930  -3.261
   51    HB2  LYS   7           2HB      LYS   7  -7.303   2.003  -5.587
   52    HB3  LYS   7           1HB      LYS   7  -8.717   1.985  -4.543
   53    HG2  LYS   7           2HG      LYS   7  -7.095   4.379  -4.211
   54    HG3  LYS   7           1HG      LYS   7  -7.702   4.171  -5.856
   55    HD2  LYS   7           2HD      LYS   7  -9.980   3.796  -4.851
   56    HD3  LYS   7           1HD      LYS   7  -9.296   4.295  -3.302
   57    HE2  LYS   7           2HE      LYS   7  -8.939   6.479  -4.025
   58    HE3  LYS   7           1HE      LYS   7  -9.009   6.029  -5.728
   59    HZ1  LYS   7           3HZ      LYS   7 -11.413   5.614  -4.117
   60    HZ2  LYS   7           1HZ      LYS   7 -11.264   6.063  -5.742
   61    HZ3  LYS   7           2HZ      LYS   7 -11.013   7.207  -4.521
   62    H    DBB   8           H        DBB   8  -4.837   2.015  -1.951
   63    HA   DBB   8           HA       DBB   8  -2.897   1.942  -4.148
   64    HB3  DBB   8           HB       DBB   8  -2.664   0.179  -2.477
   65    HG1  DBB   8          3HG2      DBB   8  -0.344   0.444  -1.888
   66    HG2  DBB   8          1HG2      DBB   8  -0.447   2.188  -2.122
   67    HG3  DBB   8          2HG2      DBB   8  -0.601   1.104  -3.502
   68    H    LEU   9           H        LEU   9  -3.565   3.676  -1.116
   69    HA   LEU   9           HA       LEU   9  -2.642   6.137  -2.253
   70    HB2  LEU   9           2HB      LEU   9  -4.495   6.329  -0.837
   71    HB3  LEU   9           1HB      LEU   9  -3.765   5.332   0.406
   72    HG   LEU   9           HG       LEU   9  -2.411   7.901  -0.221
   73   HD11  LEU   9          1HD1      LEU   9  -4.019   8.961   1.492
   74   HD12  LEU   9          2HD1      LEU   9  -5.130   7.675   1.018
   75   HD13  LEU   9          3HD1      LEU   9  -4.544   8.824  -0.186
   76   HD21  LEU   9          3HD2      LEU   9  -1.808   6.080   1.536
   77   HD22  LEU   9          1HD2      LEU   9  -3.107   6.814   2.477
   78   HD23  LEU   9          2HD2      LEU   9  -1.720   7.785   1.986
   79    H    DBB  10           H        DBB  10  -1.115   3.647  -0.417
   80    HA   DBB  10           HA       DBB  10   1.017   5.493   0.392
   81    HB3  DBB  10           HB       DBB  10   2.726   4.387  -0.696
   82    HG1  DBB  10          3HG2      DBB  10   2.702   2.108  -1.508
   83    HG2  DBB  10          1HG2      DBB  10   1.025   1.923  -1.008
   84    HG3  DBB  10          2HG2      DBB  10   2.285   2.122   0.206
   85    H    LYS  11           H        LYS  11   1.372   5.312   2.477
   86    HA   LYS  11           HA       LYS  11   2.056   3.002   3.837
   87    HB2  LYS  11           2HB      LYS  11   1.697   4.282   5.897
   88    HB3  LYS  11           1HB      LYS  11   2.544   5.234   4.686
   89    HG2  LYS  11           2HG      LYS  11   1.048   6.833   5.007
   90    HG3  LYS  11           1HG      LYS  11  -0.156   5.777   4.265
   91    HD2  LYS  11           2HD      LYS  11  -1.186   6.167   6.265
   92    HD3  LYS  11           1HD      LYS  11  -0.225   4.754   6.710
   93    HE2  LYS  11           2HE      LYS  11   0.499   6.041   8.400
   94    HE3  LYS  11           1HE      LYS  11   1.534   6.778   7.178
   95    HZ1  LYS  11           3HZ      LYS  11   0.091   8.288   8.639
   96    HZ2  LYS  11           1HZ      LYS  11  -1.193   7.799   7.651
   97    HZ3  LYS  11           2HZ      LYS  11   0.138   8.596   6.977
   98    H    ASP  12           H        ASP  12  -1.084   4.087   2.931
   99    HA   ASP  12           HA       ASP  12  -2.424   2.440   4.919
  100    HB2  ASP  12           2HB      ASP  12  -3.277   4.491   2.935
  101    HB3  ASP  12           1HB      ASP  12  -4.459   3.280   3.420
  102    H    CYS  13           H        CYS  13  -0.725   1.224   2.796
  103    HA   CYS  13           HA       CYS  13  -2.759  -0.610   1.744
  104    HB2  CYS  13           2HB      CYS  13  -0.428   0.486   0.160
  105    HB3  CYS  13           1HB      CYS  13  -1.548  -0.752  -0.396
  106    HA   PRO  14           HA       PRO  14   0.852  -2.689   3.982
  107    HB2  PRO  14           2HB      PRO  14  -1.418  -4.174   5.169
  108    HB3  PRO  14           1HB      PRO  14   0.005  -3.482   5.953
  109    HG2  PRO  14           2HG      PRO  14  -2.399  -2.351   6.220
  110    HG3  PRO  14           1HG      PRO  14  -0.930  -1.367   6.083
  111    HD2  PRO  14           2HD      PRO  14  -3.008  -1.972   4.016
  112    HD3  PRO  14           1HD      PRO  14  -2.148  -0.452   4.341
  113    H    ASN  15           H        ASN  15  -1.967  -3.670   2.233
  114    HA   ASN  15           HA       ASN  15  -0.658  -6.203   1.499
  115    HB2  ASN  15           2HB      ASN  15  -3.158  -5.881   2.554
  116    HB3  ASN  15           1HB      ASN  15  -3.505  -5.900   0.828
  117   HD21  ASN  15          1HD2      ASN  15  -3.872  -7.815  -0.005
  118   HD22  ASN  15          2HD2      ASN  15  -3.291  -9.324   0.603
  119    H    VAL  16           H        VAL  16  -1.952  -3.219   0.342
  120    HA   VAL  16           HA       VAL  16  -2.073  -2.229  -1.684
  121    HB   VAL  16           HB       VAL  16   0.392  -2.797  -1.563
  122   HG11  VAL  16          1HG1      VAL  16   0.759  -5.006  -1.943
  123   HG12  VAL  16          2HG1      VAL  16   0.943  -4.413  -3.593
  124   HG13  VAL  16          3HG1      VAL  16  -0.575  -5.152  -3.087
  125   HG21  VAL  16          3HG2      VAL  16   0.667  -2.378  -4.096
  126   HG22  VAL  16          1HG2      VAL  16  -0.171  -1.175  -3.116
  127   HG23  VAL  16          2HG2      VAL  16  -1.094  -2.302  -4.110
  128    H    ILE  17           H        ILE  17  -3.031  -2.348  -3.714
  129    HA   ILE  17           HA       ILE  17  -4.045  -4.998  -4.491
  130    HB   ILE  17           HB       ILE  17  -5.796  -2.729  -5.159
  131   HG12  ILE  17          2HG1      ILE  17  -6.790  -3.005  -2.724
  132   HG13  ILE  17          1HG1      ILE  17  -5.121  -3.394  -2.321
  133   HG21  ILE  17          1HG2      ILE  17  -7.402  -4.312  -5.126
  134   HG22  ILE  17          2HG2      ILE  17  -6.774  -5.073  -3.665
  135   HG23  ILE  17          3HG2      ILE  17  -6.022  -5.406  -5.225
  136   HD11  ILE  17          3HD1      ILE  17  -5.648  -0.938  -3.902
  137   HD12  ILE  17          1HD1      ILE  17  -4.392  -1.270  -2.709
  138   HD13  ILE  17          2HD1      ILE  17  -6.042  -0.936  -2.183
  139    H    SER  18           H        SER  18  -5.429  -4.175  -6.770
  140    HA   SER  18           HA       SER  18  -5.146  -3.758  -8.986
  141    HB2  SER  18           2HB      SER  18  -4.310  -1.485  -7.760
  142    HB3  SER  18           1HB      SER  18  -2.846  -1.932  -8.633
  143    HG   SER  18           HG       SER  18  -3.776  -1.224 -10.364
  144    H    SER  19           H        SER  19  -3.010  -3.326 -10.601
  145    HA   SER  19           HA       SER  19  -1.773  -5.877 -10.667
  146    HB2  SER  19           2HB      SER  19  -0.535  -3.700 -12.244
  147    HB3  SER  19           1HB      SER  19  -1.095  -5.292 -12.760
  148    HG   SER  19           HG       SER  19  -2.360  -2.907 -12.888
  149    H    ILE  20           H        ILE  20  -0.831  -2.776  -9.394
  150    HA   ILE  20           HA       ILE  20   1.485  -3.998  -8.138
  151    HB   ILE  20           HB       ILE  20   2.186  -1.381  -9.265
  152   HG12  ILE  20          2HG1      ILE  20   2.031  -3.751 -11.141
  153   HG13  ILE  20          1HG1      ILE  20   0.896  -2.405 -11.159
  154   HG21  ILE  20          1HG2      ILE  20   3.534  -3.329  -8.040
  155   HG22  ILE  20          2HG2      ILE  20   4.292  -2.204  -9.167
  156   HG23  ILE  20          3HG2      ILE  20   3.810  -3.811  -9.713
  157   HD11  ILE  20          3HD1      ILE  20   2.510  -2.058 -12.876
  158   HD12  ILE  20          1HD1      ILE  20   3.842  -2.307 -11.747
  159   HD13  ILE  20          2HD1      ILE  20   2.812  -0.883 -11.595
  160    H    CYS  21           H        CYS  21   2.671  -1.647  -7.183
  161    HA   CYS  21           HA       CYS  21   0.553  -0.685  -5.390
  162    HB2  CYS  21           2HB      CYS  21   3.225   0.016  -4.519
  163    HB3  CYS  21           1HB      CYS  21   1.989  -0.914  -3.686
  164    H    ALA  22           H        ALA  22   2.089   0.291  -8.105
  165    HA   ALA  22           HA       ALA  22   2.164   3.117  -7.293
  166    HB1  ALA  22           1HB      ALA  22   3.909   3.474  -8.682
  167    HB2  ALA  22           2HB      ALA  22   3.313   2.343  -9.897
  168    HB3  ALA  22           3HB      ALA  22   4.151   1.740  -8.467
  169    H    GLY  23           H        GLY  23   2.012   4.295  -9.787
  170    HA2  GLY  23           2HA      GLY  23  -0.809   3.798 -10.434
  171    HA3  GLY  23           1HA      GLY  23   0.075   5.280 -10.768
  172    H    THR  24           H        THR  24   1.488   5.359 -12.565
  173    HA   THR  24           HA       THR  24   1.125   3.169 -14.501
  174    HB   THR  24           HB       THR  24   1.001   4.826 -16.298
  175    HG1  THR  24           1HG      THR  24   1.783   6.711 -15.866
  176   HG21  THR  24          3HG2      THR  24  -1.151   5.843 -15.838
  177   HG22  THR  24          1HG2      THR  24  -0.972   5.475 -14.122
  178   HG23  THR  24          2HG2      THR  24  -1.120   4.165 -15.294
  179    H    ILE  25           H        ILE  25   3.287   2.994 -12.986
  180    HA   ILE  25           HA       ILE  25   5.462   3.965 -14.721
  181    HB   ILE  25           HB       ILE  25   6.894   3.845 -12.588
  182   HG12  ILE  25          2HG1      ILE  25   4.133   4.077 -11.366
  183   HG13  ILE  25          1HG1      ILE  25   5.249   2.732 -11.158
  184   HG21  ILE  25          1HG2      ILE  25   6.812   5.993 -13.213
  185   HG22  ILE  25          2HG2      ILE  25   5.641   6.170 -11.905
  186   HG23  ILE  25          3HG2      ILE  25   5.085   5.927 -13.561
  187   HD11  ILE  25          3HD1      ILE  25   5.921   3.759  -9.314
  188   HD12  ILE  25          1HD1      ILE  25   5.101   5.256  -9.755
  189   HD13  ILE  25          2HD1      ILE  25   6.721   4.925 -10.368
  190    H    ILE  26           H        ILE  26   4.458   1.476 -12.400
  191    HA   ILE  26           HA       ILE  26   5.044  -0.712 -12.151
  192    HB   ILE  26           HB       ILE  26   5.717  -0.648 -15.087
  193   HG12  ILE  26          2HG1      ILE  26   3.135  -1.545 -14.947
  194   HG13  ILE  26          1HG1      ILE  26   3.141  -0.295 -13.706
  195   HG21  ILE  26          1HG2      ILE  26   6.207  -2.677 -13.599
  196   HG22  ILE  26          2HG2      ILE  26   5.309  -2.945 -15.093
  197   HG23  ILE  26          3HG2      ILE  26   4.457  -2.892 -13.550
  198   HD11  ILE  26          3HD1      ILE  26   3.672   1.382 -15.242
  199   HD12  ILE  26          1HD1      ILE  26   2.471   0.382 -16.060
  200   HD13  ILE  26          2HD1      ILE  26   4.179   0.220 -16.468
  201    H    THR  27           H        THR  27   6.856  -0.547 -10.848
  202    HA   THR  27           HA       THR  27   9.310  -1.426 -12.011
  203    HB   THR  27           HB       THR  27   9.192   1.378 -10.885
  204    HG1  THR  27           1HG      THR  27   9.809   0.339 -13.443
  205   HG21  THR  27          3HG2      THR  27  11.574   1.529 -11.329
  206   HG22  THR  27          1HG2      THR  27  11.608  -0.175 -11.783
  207   HG23  THR  27          2HG2      THR  27  11.232   0.289 -10.123
  208    H    ALA  28           H        ALA  28   8.983   0.619  -9.136
  209    HA   ALA  28           HA       ALA  28   9.455  -1.776  -7.484
  210    HB1  ALA  28           1HB      ALA  28  10.878  -0.538  -6.052
  211    HB2  ALA  28           2HB      ALA  28  10.440   0.987  -6.821
  212    HB3  ALA  28           3HB      ALA  28  11.403  -0.199  -7.701
  213    H    CYS  29           H        CYS  29   7.318   0.717  -8.157
  214    HA   CYS  29           HA       CYS  29   5.616   1.748  -7.038
  215    HB2  CYS  29           2HB      CYS  29   4.029   0.210  -6.142
  216    HB3  CYS  29           1HB      CYS  29   4.803  -0.561  -7.513
  217    H    LYS  30           H        LYS  30   7.675   2.631  -5.757
  218    HA   LYS  30           HA       LYS  30   7.437   2.008  -2.914
  219    HB2  LYS  30           2HB      LYS  30   9.517   3.160  -4.641
  220    HB3  LYS  30           1HB      LYS  30   9.360   3.946  -3.076
  221    HG2  LYS  30           2HG      LYS  30   9.421   1.512  -2.155
  222    HG3  LYS  30           1HG      LYS  30  10.153   1.145  -3.717
  223    HD2  LYS  30           2HD      LYS  30  12.066   1.660  -2.632
  224    HD3  LYS  30           1HD      LYS  30  11.591   3.315  -3.020
  225    HE2  LYS  30           2HE      LYS  30  10.434   2.219  -0.546
  226    HE3  LYS  30           1HE      LYS  30  12.184   2.436  -0.524
  227    HZ1  LYS  30           3HZ      LYS  30  11.411   4.754  -1.574
  228    HZ2  LYS  30           1HZ      LYS  30  11.615   4.508   0.089
  229    HZ3  LYS  30           2HZ      LYS  30  10.071   4.425  -0.597
  230    H    ASN  31           H        ASN  31   6.686   4.502  -5.213
  231    HA   ASN  31           HA       ASN  31   5.813   6.265  -3.027
  232    HB2  ASN  31           2HB      ASN  31   6.130   7.066  -5.916
  233    HB3  ASN  31           1HB      ASN  31   6.014   8.114  -4.507
  234   HD21  ASN  31          1HD2      ASN  31   7.800   8.355  -3.158
  235   HD22  ASN  31          2HD2      ASN  31   9.394   7.918  -3.664
  236    H    CYS  32           H        CYS  32   3.734   7.021  -2.932
  237    HA   CYS  32           HA       CYS  32   1.827   5.778  -4.802
  238    HB2  CYS  32           2HB      CYS  32   1.662   6.303  -1.850
  239    HB3  CYS  32           1HB      CYS  32   0.195   6.167  -2.812
  240    H    ALA  33           H        ALA  33   2.708   8.691  -3.052
  241    HA   ALA  33           HA       ALA  33   0.646  10.185  -4.525
  242    HB1  ALA  33           1HB      ALA  33   0.335  10.590  -2.242
  243    HB2  ALA  33           2HB      ALA  33   1.219  12.002  -2.818
  244    HB3  ALA  33           3HB      ALA  33   2.066  10.730  -1.939
  Start of MODEL    7
    1    H1   ALA   1           1HT      ALA   1  -1.088  -0.085 -15.032
    2    H2   ALA   1           2HT      ALA   1  -1.244   1.572 -15.452
    3    H3   ALA   1           3HT      ALA   1  -0.631   0.448 -16.595
    4    HA   ALA   1           HA       ALA   1  -2.851   0.995 -17.124
    5    HB1  ALA   1           2HB      ALA   1  -2.597  -1.774 -15.958
    6    HB2  ALA   1           3HB      ALA   1  -2.079  -1.274 -17.567
    7    HB3  ALA   1           1HB      ALA   1  -3.792  -1.261 -17.149
    8    H    ASP   2           H        ASP   2  -5.165  -0.031 -16.379
    9    HA   ASP   2           HA       ASP   2  -6.952   0.218 -14.997
   10    HB2  ASP   2           2HB      ASP   2  -4.782  -0.635 -13.278
   11    HB3  ASP   2           1HB      ASP   2  -5.898   0.412 -12.407
   12    H    ARG   3           H        ARG   3  -8.166   1.876 -14.169
   13    HA   ARG   3           HA       ARG   3  -7.124   4.505 -14.442
   14    HB2  ARG   3           2HB      ARG   3  -9.741   3.322 -13.626
   15    HB3  ARG   3           1HB      ARG   3  -9.438   5.014 -13.256
   16    HG2  ARG   3           2HG      ARG   3  -8.708   4.462 -15.974
   17    HG3  ARG   3           1HG      ARG   3 -10.359   3.921 -15.663
   18    HD2  ARG   3           2HD      ARG   3 -10.458   6.192 -16.398
   19    HD3  ARG   3           1HD      ARG   3 -10.827   6.164 -14.674
   20    HE   ARG   3           HE       ARG   3  -8.054   6.635 -15.198
   21   HH11  ARG   3          1HH1      ARG   3 -11.190   8.157 -15.014
   22   HH12  ARG   3          2HH1      ARG   3 -10.547   9.725 -14.660
   23   HH21  ARG   3          1HH2      ARG   3  -7.207   8.697 -14.731
   24   HH22  ARG   3          2HH2      ARG   3  -8.286  10.032 -14.499
   25    H    GLY   4           H        GLY   4  -7.352   6.187 -12.717
   26    HA2  GLY   4           2HA      GLY   4  -5.821   5.419 -10.440
   27    HA3  GLY   4           1HA      GLY   4  -6.515   7.006 -10.735
   28    H    TRP   5           H        TRP   5  -6.412   4.890  -8.432
   29    HA   TRP   5           HA       TRP   5  -9.079   5.530  -7.465
   30    HB2  TRP   5           2HB      TRP   5  -8.805   3.125  -8.662
   31    HB3  TRP   5           1HB      TRP   5  -8.306   2.702  -7.027
   32    HD1  TRP   5           HD       TRP   5 -10.171   2.513  -5.200
   33    HE1  TRP   5           1HE      TRP   5 -12.741   2.654  -5.259
   34    HE3  TRP   5           3HE      TRP   5 -10.775   4.394  -9.916
   35    HZ2  TRP   5           2HZ      TRP   5 -14.756   3.456  -7.065
   36    HZ3  TRP   5           3HZ      TRP   5 -13.056   4.819 -10.733
   37    HH2  TRP   5           HH       TRP   5 -15.005   4.359  -9.335
   38    H    ILE   6           H        ILE   6  -9.310   4.677  -5.131
   39    HA   ILE   6           HA       ILE   6  -7.232   5.795  -3.592
   40    HB   ILE   6           HB       ILE   6  -8.449   4.750  -1.638
   41   HG12  ILE   6          2HG1      ILE   6 -10.529   4.033  -3.702
   42   HG13  ILE   6          1HG1      ILE   6  -9.364   2.861  -3.093
   43   HG21  ILE   6          1HG2      ILE   6 -10.651   6.106  -2.360
   44   HG22  ILE   6          2HG2      ILE   6  -9.519   6.700  -3.574
   45   HG23  ILE   6          3HG2      ILE   6  -9.150   6.885  -1.859
   46   HD11  ILE   6          3HD1      ILE   6 -11.618   2.839  -1.998
   47   HD12  ILE   6          1HD1      ILE   6 -11.215   4.410  -1.307
   48   HD13  ILE   6          2HD1      ILE   6 -10.243   2.993  -0.905
   49    H    LYS   7           H        LYS   7  -7.594   2.685  -4.937
   50    HA   LYS   7           HA       LYS   7  -6.257   1.107  -3.036
   51    HB2  LYS   7           2HB      LYS   7  -7.476   0.637  -5.445
   52    HB3  LYS   7           1HB      LYS   7  -5.782   0.380  -5.843
   53    HG2  LYS   7           2HG      LYS   7  -6.877  -0.913  -3.401
   54    HG3  LYS   7           1HG      LYS   7  -7.299  -1.580  -4.979
   55    HD2  LYS   7           2HD      LYS   7  -4.632  -1.248  -5.275
   56    HD3  LYS   7           1HD      LYS   7  -4.725  -1.578  -3.544
   57    HE2  LYS   7           2HE      LYS   7  -4.663  -3.732  -4.200
   58    HE3  LYS   7           1HE      LYS   7  -6.381  -3.487  -4.510
   59    HZ1  LYS   7           3HZ      LYS   7  -5.781  -4.274  -6.523
   60    HZ2  LYS   7           1HZ      LYS   7  -4.175  -3.759  -6.391
   61    HZ3  LYS   7           2HZ      LYS   7  -5.386  -2.654  -6.809
   62    H    DBB   8           H        DBB   8  -4.307   1.551  -2.258
   63    HA   DBB   8           HA       DBB   8  -2.087   1.868  -4.111
   64    HB3  DBB   8           HB       DBB   8  -1.834   0.235  -2.326
   65    HG1  DBB   8          3HG2      DBB   8   0.215   0.930  -1.275
   66    HG2  DBB   8          1HG2      DBB   8  -0.130   2.623  -1.624
   67    HG3  DBB   8          2HG2      DBB   8   0.215   1.506  -2.942
   68    H    LEU   9           H        LEU   9  -3.615   3.606  -1.432
   69    HA   LEU   9           HA       LEU   9  -2.835   6.117  -2.550
   70    HB2  LEU   9           2HB      LEU   9  -4.207   7.127  -0.959
   71    HB3  LEU   9           1HB      LEU   9  -5.000   5.613  -1.338
   72    HG   LEU   9           HG       LEU   9  -5.220   5.824   0.977
   73   HD11  LEU   9          1HD1      LEU   9  -3.710   4.094   1.948
   74   HD12  LEU   9          2HD1      LEU   9  -2.831   4.083   0.420
   75   HD13  LEU   9          3HD1      LEU   9  -4.527   3.605   0.464
   76   HD21  LEU   9          3HD2      LEU   9  -2.343   6.243   1.559
   77   HD22  LEU   9          1HD2      LEU   9  -3.771   6.823   2.416
   78   HD23  LEU   9          2HD2      LEU   9  -3.257   7.611   0.924
   79    H    DBB  10           H        DBB  10  -1.121   3.988  -0.638
   80    HA   DBB  10           HA       DBB  10   0.199   6.019   0.956
   81    HB3  DBB  10           HB       DBB  10   1.357   4.942  -1.557
   82    HG1  DBB  10          3HG2      DBB  10   2.588   6.983  -1.570
   83    HG2  DBB  10          1HG2      DBB  10   2.196   7.289   0.120
   84    HG3  DBB  10          2HG2      DBB  10   0.934   7.383  -1.107
   85    H    LYS  11           H        LYS  11   1.374   5.242   2.657
   86    HA   LYS  11           HA       LYS  11   2.139   2.527   2.943
   87    HB2  LYS  11           2HB      LYS  11   1.957   4.810   4.902
   88    HB3  LYS  11           1HB      LYS  11   2.529   3.211   5.357
   89    HG2  LYS  11           2HG      LYS  11   4.446   3.388   4.056
   90    HG3  LYS  11           1HG      LYS  11   3.775   4.694   3.077
   91    HD2  LYS  11           2HD      LYS  11   5.029   6.016   4.397
   92    HD3  LYS  11           1HD      LYS  11   3.713   5.806   5.553
   93    HE2  LYS  11           2HE      LYS  11   4.943   4.493   6.911
   94    HE3  LYS  11           1HE      LYS  11   5.747   3.682   5.567
   95    HZ1  LYS  11           3HZ      LYS  11   6.822   6.102   5.386
   96    HZ2  LYS  11           1HZ      LYS  11   7.498   4.857   6.312
   97    HZ3  LYS  11           2HZ      LYS  11   6.550   6.044   7.055
   98    H    ASP  12           H        ASP  12  -0.876   3.963   3.167
   99    HA   ASP  12           HA       ASP  12  -1.892   2.261   5.284
  100    HB2  ASP  12           2HB      ASP  12  -2.908   4.556   3.711
  101    HB3  ASP  12           1HB      ASP  12  -4.113   3.385   4.236
  102    H    CYS  13           H        CYS  13  -0.808   1.082   2.784
  103    HA   CYS  13           HA       CYS  13  -3.234  -0.261   1.799
  104    HB2  CYS  13           2HB      CYS  13  -0.554   0.128   0.452
  105    HB3  CYS  13           1HB      CYS  13  -1.880  -0.818  -0.215
  106    HA   PRO  14           HA       PRO  14  -0.985  -3.640   3.870
  107    HB2  PRO  14           2HB      PRO  14  -3.121  -4.564   5.288
  108    HB3  PRO  14           1HB      PRO  14  -2.066  -3.267   5.848
  109    HG2  PRO  14           2HG      PRO  14  -4.835  -3.132   4.977
  110    HG3  PRO  14           1HG      PRO  14  -3.859  -1.894   5.780
  111    HD2  PRO  14           2HD      PRO  14  -4.517  -2.176   2.954
  112    HD3  PRO  14           1HD      PRO  14  -3.791  -0.798   3.802
  113    H    ASN  15           H        ASN  15  -3.499  -3.489   1.629
  114    HA   ASN  15           HA       ASN  15  -3.922  -6.364   1.495
  115    HB2  ASN  15           2HB      ASN  15  -5.685  -4.447   1.108
  116    HB3  ASN  15           1HB      ASN  15  -5.025  -4.448  -0.525
  117   HD21  ASN  15          1HD2      ASN  15  -6.456  -5.436  -1.757
  118   HD22  ASN  15          2HD2      ASN  15  -7.189  -6.966  -1.430
  119    H    VAL  16           H        VAL  16  -1.329  -5.967   1.062
  120    HA   VAL  16           HA       VAL  16  -0.993  -6.860  -1.655
  121    HB   VAL  16           HB       VAL  16  -0.890  -4.446  -2.004
  122   HG11  VAL  16          1HG1      VAL  16   0.073  -4.195   0.459
  123   HG12  VAL  16          2HG1      VAL  16   0.348  -2.979  -0.788
  124   HG13  VAL  16          3HG1      VAL  16   1.601  -4.166  -0.422
  125   HG21  VAL  16          3HG2      VAL  16   0.494  -5.772  -3.439
  126   HG22  VAL  16          1HG2      VAL  16   1.763  -5.861  -2.218
  127   HG23  VAL  16          2HG2      VAL  16   1.395  -4.322  -2.998
  128    H    ILE  17           H        ILE  17  -0.406  -8.700  -0.287
  129    HA   ILE  17           HA       ILE  17   2.446  -8.681   0.268
  130    HB   ILE  17           HB       ILE  17   1.621  -8.182   2.445
  131   HG12  ILE  17          2HG1      ILE  17   2.125 -11.158   2.281
  132   HG13  ILE  17          1HG1      ILE  17   3.372  -9.915   2.328
  133   HG21  ILE  17          1HG2      ILE  17  -0.324  -8.877   3.323
  134   HG22  ILE  17          2HG2      ILE  17  -0.089 -10.540   2.784
  135   HG23  ILE  17          3HG2      ILE  17  -0.713  -9.328   1.664
  136   HD11  ILE  17          3HD1      ILE  17   2.295  -9.224   4.556
  137   HD12  ILE  17          1HD1      ILE  17   3.275 -10.689   4.511
  138   HD13  ILE  17          2HD1      ILE  17   1.515 -10.803   4.497
  139    H    SER  18           H        SER  18   3.421 -10.622  -0.032
  140    HA   SER  18           HA       SER  18   2.372 -13.158   0.004
  141    HB2  SER  18           2HB      SER  18   0.795 -12.732  -1.700
  142    HB3  SER  18           1HB      SER  18   1.944 -11.787  -2.647
  143    HG   SER  18           HG       SER  18   1.394 -14.317  -2.933
  144    H    SER  19           H        SER  19   4.021 -11.769  -2.811
  145    HA   SER  19           HA       SER  19   6.519 -13.024  -1.899
  146    HB2  SER  19           2HB      SER  19   5.128 -13.247  -4.537
  147    HB3  SER  19           1HB      SER  19   6.889 -13.294  -4.493
  148    HG   SER  19           HG       SER  19   5.552 -15.347  -4.246
  149    H    ILE  20           H        ILE  20   5.441 -10.976  -4.579
  150    HA   ILE  20           HA       ILE  20   7.093  -8.783  -3.661
  151    HB   ILE  20           HB       ILE  20   7.625 -10.161  -6.296
  152   HG12  ILE  20          2HG1      ILE  20   9.429  -9.546  -3.945
  153   HG13  ILE  20          1HG1      ILE  20   8.759 -11.126  -4.332
  154   HG21  ILE  20          1HG2      ILE  20   7.625  -7.814  -6.737
  155   HG22  ILE  20          2HG2      ILE  20   9.305  -8.344  -6.645
  156   HG23  ILE  20          3HG2      ILE  20   8.575  -7.486  -5.288
  157   HD11  ILE  20          3HD1      ILE  20  11.075 -10.945  -5.042
  158   HD12  ILE  20          1HD1      ILE  20  10.664  -9.558  -6.051
  159   HD13  ILE  20          2HD1      ILE  20  10.001 -11.148  -6.426
  160    H    CYS  21           H        CYS  21   6.633  -6.812  -4.712
  161    HA   CYS  21           HA       CYS  21   4.015  -6.801  -6.039
  162    HB2  CYS  21           2HB      CYS  21   5.021  -4.191  -5.192
  163    HB3  CYS  21           1HB      CYS  21   3.477  -4.962  -4.866
  164    H    ALA  22           H        ALA  22   5.222  -7.452  -7.994
  165    HA   ALA  22           HA       ALA  22   7.144  -6.176  -9.379
  166    HB1  ALA  22           1HB      ALA  22   5.233  -8.046  -9.986
  167    HB2  ALA  22           2HB      ALA  22   6.483  -7.457 -11.081
  168    HB3  ALA  22           3HB      ALA  22   4.873  -6.739 -11.112
  169    H    GLY  23           H        GLY  23   7.518  -4.129  -9.845
  170    HA2  GLY  23           2HA      GLY  23   6.179  -2.454 -11.463
  171    HA3  GLY  23           1HA      GLY  23   5.356  -2.197  -9.932
  172    H    THR  24           H        THR  24   8.449  -1.956 -11.598
  173    HA   THR  24           HA       THR  24  10.268  -0.630 -11.262
  174    HB   THR  24           HB       THR  24   8.385   1.081  -9.627
  175    HG1  THR  24           1HG      THR  24   8.035   2.153 -11.632
  176   HG21  THR  24          3HG2      THR  24  10.844   1.827 -11.191
  177   HG22  THR  24          1HG2      THR  24  10.706   1.779  -9.434
  178   HG23  THR  24          2HG2      THR  24   9.761   2.944 -10.362
  179    H    ILE  25           H        ILE  25  11.143  -2.394  -9.973
  180    HA   ILE  25           HA       ILE  25  10.921  -2.359  -7.125
  181    HB   ILE  25           HB       ILE  25  13.062  -3.729  -8.749
  182   HG12  ILE  25          2HG1      ILE  25  11.127  -5.617  -8.080
  183   HG13  ILE  25          1HG1      ILE  25  10.194  -4.224  -8.615
  184   HG21  ILE  25          1HG2      ILE  25  12.187  -3.793  -5.936
  185   HG22  ILE  25          2HG2      ILE  25  13.773  -4.100  -6.641
  186   HG23  ILE  25          3HG2      ILE  25  12.536  -5.357  -6.673
  187   HD11  ILE  25          3HD1      ILE  25  11.583  -4.198 -10.687
  188   HD12  ILE  25          1HD1      ILE  25  10.566  -5.626 -10.492
  189   HD13  ILE  25          2HD1      ILE  25  12.295  -5.721 -10.154
  190    H    ILE  26           H        ILE  26  11.505  -0.206  -6.573
  191    HA   ILE  26           HA       ILE  26  14.156   0.760  -7.176
  192    HB   ILE  26           HB       ILE  26  12.257   2.323  -6.976
  193   HG12  ILE  26          2HG1      ILE  26  13.905   3.200  -4.700
  194   HG13  ILE  26          1HG1      ILE  26  14.827   2.682  -6.107
  195   HG21  ILE  26          1HG2      ILE  26  11.040   2.672  -5.057
  196   HG22  ILE  26          2HG2      ILE  26  12.304   2.029  -4.008
  197   HG23  ILE  26          3HG2      ILE  26  11.318   0.933  -4.975
  198   HD11  ILE  26          3HD1      ILE  26  14.385   4.571  -7.168
  199   HD12  ILE  26          1HD1      ILE  26  13.671   5.169  -5.670
  200   HD13  ILE  26          2HD1      ILE  26  12.653   4.397  -6.886
  201    H    THR  27           H        THR  27  12.456  -0.606  -4.415
  202    HA   THR  27           HA       THR  27  15.047  -1.028  -3.096
  203    HB   THR  27           HB       THR  27  13.350  -0.741  -0.966
  204    HG1  THR  27           1HG      THR  27  11.693   0.341  -1.631
  205   HG21  THR  27          3HG2      THR  27  15.564   0.258  -1.109
  206   HG22  THR  27          1HG2      THR  27  14.361   1.426  -0.565
  207   HG23  THR  27          2HG2      THR  27  14.946   1.473  -2.228
  208    H    ALA  28           H        ALA  28  11.584  -1.801  -2.753
  209    HA   ALA  28           HA       ALA  28  12.337  -4.628  -2.409
  210    HB1  ALA  28           1HB      ALA  28  10.904  -4.894  -0.669
  211    HB2  ALA  28           2HB      ALA  28   9.772  -3.685  -1.273
  212    HB3  ALA  28           3HB      ALA  28  11.248  -3.178  -0.451
  213    H    CYS  29           H        CYS  29   9.595  -2.542  -3.275
  214    HA   CYS  29           HA       CYS  29   9.196  -3.846  -5.769
  215    HB2  CYS  29           2HB      CYS  29   6.937  -4.731  -5.267
  216    HB3  CYS  29           1HB      CYS  29   8.193  -5.555  -4.360
  217    H    LYS  30           H        LYS  30   6.412  -3.168  -5.990
  218    HA   LYS  30           HA       LYS  30   6.693  -0.309  -6.340
  219    HB2  LYS  30           2HB      LYS  30   5.633  -2.043  -7.981
  220    HB3  LYS  30           1HB      LYS  30   4.198  -1.834  -6.989
  221    HG2  LYS  30           2HG      LYS  30   5.217   0.740  -7.621
  222    HG3  LYS  30           1HG      LYS  30   5.134  -0.207  -9.107
  223    HD2  LYS  30           2HD      LYS  30   2.840  -0.058  -7.169
  224    HD3  LYS  30           1HD      LYS  30   3.058   1.123  -8.462
  225    HE2  LYS  30           2HE      LYS  30   2.504  -0.358 -10.091
  226    HE3  LYS  30           1HE      LYS  30   3.204  -1.729  -9.231
  227    HZ1  LYS  30           3HZ      LYS  30   1.051  -2.246  -8.926
  228    HZ2  LYS  30           1HZ      LYS  30   0.507  -0.657  -9.130
  229    HZ3  LYS  30           2HZ      LYS  30   1.152  -1.147  -7.645
  230    H    ASN  31           H        ASN  31   6.082  -1.864  -3.664
  231    HA   ASN  31           HA       ASN  31   3.559  -0.821  -2.832
  232    HB2  ASN  31           2HB      ASN  31   4.528  -2.848  -1.823
  233    HB3  ASN  31           1HB      ASN  31   5.855  -1.890  -1.172
  234   HD21  ASN  31          1HD2      ASN  31   5.623  -1.022   0.770
  235   HD22  ASN  31          2HD2      ASN  31   4.145  -0.931   1.660
  236    H    CYS  32           H        CYS  32   3.307   0.680  -0.998
  237    HA   CYS  32           HA       CYS  32   4.822   3.074  -1.469
  238    HB2  CYS  32           2HB      CYS  32   2.315   2.902  -0.913
  239    HB3  CYS  32           1HB      CYS  32   2.830   2.690   0.756
  240    H    ALA  33           H        ALA  33   4.186   1.154   1.470
  241    HA   ALA  33           HA       ALA  33   6.220   2.445   2.980
  242    HB1  ALA  33           1HB      ALA  33   4.083   0.954   3.648
  243    HB2  ALA  33           2HB      ALA  33   5.441   1.257   4.734
  244    HB3  ALA  33           3HB      ALA  33   5.362  -0.248   3.819
  Start of MODEL    8
    1    H1   ALA   1           1HT      ALA   1 -10.153  -9.386  -9.348
    2    H2   ALA   1           2HT      ALA   1  -8.891  -9.255 -10.503
    3    H3   ALA   1           3HT      ALA   1 -10.140  -8.079 -10.456
    4    HA   ALA   1           HA       ALA   1  -8.334  -7.090  -9.469
    5    HB1  ALA   1           2HB      ALA   1  -9.916  -8.174  -7.153
    6    HB2  ALA   1           3HB      ALA   1 -10.559  -6.976  -8.275
    7    HB3  ALA   1           1HB      ALA   1  -9.137  -6.599  -7.303
    8    H    ASP   2           H        ASP   2  -6.428  -7.159  -8.324
    9    HA   ASP   2           HA       ASP   2  -5.575  -9.835  -7.433
   10    HB2  ASP   2           2HB      ASP   2  -4.206  -7.710  -8.998
   11    HB3  ASP   2           1HB      ASP   2  -3.223  -8.621  -7.855
   12    H    ARG   3           H        ARG   3  -6.851  -8.671  -5.504
   13    HA   ARG   3           HA       ARG   3  -6.734  -7.935  -3.356
   14    HB2  ARG   3           2HB      ARG   3  -3.936  -8.822  -3.903
   15    HB3  ARG   3           1HB      ARG   3  -4.258  -7.933  -2.421
   16    HG2  ARG   3           2HG      ARG   3  -5.761 -10.410  -3.227
   17    HG3  ARG   3           1HG      ARG   3  -4.317 -10.424  -2.211
   18    HD2  ARG   3           2HD      ARG   3  -5.420  -9.069  -0.549
   19    HD3  ARG   3           1HD      ARG   3  -6.833  -8.885  -1.587
   20    HE   ARG   3           HE       ARG   3  -6.195 -11.619  -0.968
   21   HH11  ARG   3          1HH1      ARG   3  -7.901  -8.766   0.095
   22   HH12  ARG   3          2HH1      ARG   3  -9.032  -9.651   1.062
   23   HH21  ARG   3          1HH2      ARG   3  -7.681 -12.784   0.305
   24   HH22  ARG   3          2HH2      ARG   3  -8.906 -11.931   1.185
   25    H    GLY   4           H        GLY   4  -7.344  -5.845  -3.343
   26    HA2  GLY   4           2HA      GLY   4  -6.386  -3.687  -2.528
   27    HA3  GLY   4           1HA      GLY   4  -5.250  -3.824  -3.862
   28    H    TRP   5           H        TRP   5  -7.694  -2.036  -2.961
   29    HA   TRP   5           HA       TRP   5  -8.732  -1.750  -5.699
   30    HB2  TRP   5           2HB      TRP   5 -10.400  -2.830  -4.155
   31    HB3  TRP   5           1HB      TRP   5 -10.384  -1.351  -3.200
   32    HD1  TRP   5           HD       TRP   5 -10.534   0.812  -5.491
   33    HE1  TRP   5           1HE      TRP   5 -12.679   1.058  -6.891
   34    HE3  TRP   5           3HE      TRP   5 -12.573  -3.812  -4.685
   35    HZ2  TRP   5           2HZ      TRP   5 -14.937  -0.497  -7.563
   36    HZ3  TRP   5           3HZ      TRP   5 -14.728  -4.350  -5.743
   37    HH2  TRP   5           HH       TRP   5 -15.884  -2.725  -7.152
   38    H    ILE   6           H        ILE   6  -8.359  -0.172  -2.538
   39    HA   ILE   6           HA       ILE   6  -8.945   2.416  -3.105
   40    HB   ILE   6           HB       ILE   6  -8.247   1.622  -0.892
   41   HG12  ILE   6          2HG1      ILE   6  -6.350   3.846  -1.425
   42   HG13  ILE   6          1HG1      ILE   6  -8.033   4.112  -1.872
   43   HG21  ILE   6          1HG2      ILE   6  -5.758   1.098  -2.313
   44   HG22  ILE   6          2HG2      ILE   6  -6.376   0.407  -0.813
   45   HG23  ILE   6          3HG2      ILE   6  -5.524   1.950  -0.786
   46   HD11  ILE   6          3HD1      ILE   6  -6.932   4.537   0.600
   47   HD12  ILE   6          1HD1      ILE   6  -7.735   2.978   0.787
   48   HD13  ILE   6          2HD1      ILE   6  -8.653   4.384   0.245
   49    H    LYS   7           H        LYS   7  -6.348   0.632  -4.447
   50    HA   LYS   7           HA       LYS   7  -5.027   1.145  -6.227
   51    HB2  LYS   7           2HB      LYS   7  -6.790   3.282  -6.290
   52    HB3  LYS   7           1HB      LYS   7  -5.213   4.054  -6.202
   53    HG2  LYS   7           2HG      LYS   7  -5.263   1.872  -8.111
   54    HG3  LYS   7           1HG      LYS   7  -6.466   3.113  -8.472
   55    HD2  LYS   7           2HD      LYS   7  -3.834   4.166  -7.723
   56    HD3  LYS   7           1HD      LYS   7  -3.837   3.211  -9.207
   57    HE2  LYS   7           2HE      LYS   7  -4.394   5.197 -10.136
   58    HE3  LYS   7           1HE      LYS   7  -6.016   4.712  -9.640
   59    HZ1  LYS   7           3HZ      LYS   7  -5.139   5.922  -7.429
   60    HZ2  LYS   7           1HZ      LYS   7  -6.004   6.711  -8.650
   61    HZ3  LYS   7           2HZ      LYS   7  -4.317   6.818  -8.603
   62    H    DBB   8           H        DBB   8  -4.176   0.982  -3.517
   63    HA   DBB   8           HA       DBB   8  -1.528   1.775  -3.727
   64    HB3  DBB   8           HB       DBB   8  -3.086   1.291  -1.176
   65    HG1  DBB   8          3HG2      DBB   8  -2.558  -0.979  -1.323
   66    HG2  DBB   8          1HG2      DBB   8  -1.347  -0.715  -2.579
   67    HG3  DBB   8          2HG2      DBB   8  -3.061  -0.570  -2.962
   68    H    LEU   9           H        LEU   9  -3.703   3.157  -1.258
   69    HA   LEU   9           HA       LEU   9  -3.422   5.830  -2.000
   70    HB2  LEU   9           2HB      LEU   9  -4.270   6.398   0.167
   71    HB3  LEU   9           1HB      LEU   9  -5.110   4.972  -0.410
   72    HG   LEU   9           HG       LEU   9  -2.742   4.542   1.335
   73   HD11  LEU   9          1HD1      LEU   9  -3.589   6.101   2.769
   74   HD12  LEU   9          2HD1      LEU   9  -4.554   4.706   3.253
   75   HD13  LEU   9          3HD1      LEU   9  -5.238   5.919   2.172
   76   HD21  LEU   9          3HD2      LEU   9  -3.753   2.559   0.644
   77   HD22  LEU   9          1HD2      LEU   9  -5.381   3.218   0.809
   78   HD23  LEU   9          2HD2      LEU   9  -4.439   2.827   2.247
   79    H    DBB  10           H        DBB  10  -1.306   3.759  -0.170
   80    HA   DBB  10           HA       DBB  10   0.316   5.943   0.802
   81    HB3  DBB  10           HB       DBB  10   0.996   5.748  -1.565
   82    HG1  DBB  10          3HG2      DBB  10   3.446   5.358  -1.196
   83    HG2  DBB  10          1HG2      DBB  10   3.058   4.917   0.467
   84    HG3  DBB  10          2HG2      DBB  10   2.706   6.542  -0.119
   85    H    LYS  11           H        LYS  11   1.325   5.382   2.622
   86    HA   LYS  11           HA       LYS  11   2.413   2.826   3.143
   87    HB2  LYS  11           2HB      LYS  11   1.758   5.150   4.953
   88    HB3  LYS  11           1HB      LYS  11   2.547   3.685   5.523
   89    HG2  LYS  11           2HG      LYS  11   4.143   4.293   3.447
   90    HG3  LYS  11           1HG      LYS  11   3.610   5.909   3.914
   91    HD2  LYS  11           2HD      LYS  11   4.335   5.479   6.214
   92    HD3  LYS  11           1HD      LYS  11   4.871   3.865   5.743
   93    HE2  LYS  11           2HE      LYS  11   6.704   4.644   4.638
   94    HE3  LYS  11           1HE      LYS  11   5.925   6.162   4.191
   95    HZ1  LYS  11           3HZ      LYS  11   6.069   6.453   6.824
   96    HZ2  LYS  11           1HZ      LYS  11   7.291   6.964   5.772
   97    HZ3  LYS  11           2HZ      LYS  11   7.435   5.486   6.580
   98    H    ASP  12           H        ASP  12  -0.782   4.037   3.373
   99    HA   ASP  12           HA       ASP  12  -1.601   2.008   5.300
  100    HB2  ASP  12           2HB      ASP  12  -2.796   4.485   4.196
  101    HB3  ASP  12           1HB      ASP  12  -3.920   3.192   4.605
  102    H    CYS  13           H        CYS  13  -0.743   1.572   2.360
  103    HA   CYS  13           HA       CYS  13  -2.902   0.744   0.818
  104    HB2  CYS  13           2HB      CYS  13  -0.031  -0.084   0.963
  105    HB3  CYS  13           1HB      CYS  13  -1.133  -0.971  -0.079
  106    HA   PRO  14           HA       PRO  14  -4.274  -2.568   3.565
  107    HB2  PRO  14           2HB      PRO  14  -6.299  -2.940   1.447
  108    HB3  PRO  14           1HB      PRO  14  -6.523  -2.648   3.175
  109    HG2  PRO  14           2HG      PRO  14  -7.040  -0.748   1.357
  110    HG3  PRO  14           1HG      PRO  14  -6.353  -0.355   2.945
  111    HD2  PRO  14           2HD      PRO  14  -4.992  -0.546   0.284
  112    HD3  PRO  14           1HD      PRO  14  -4.749   0.630   1.594
  113    H    ASN  15           H        ASN  15  -3.301  -2.676   0.279
  114    HA   ASN  15           HA       ASN  15  -2.095  -5.182   0.476
  115    HB2  ASN  15           2HB      ASN  15  -4.900  -5.202  -0.458
  116    HB3  ASN  15           1HB      ASN  15  -3.757  -6.097  -1.458
  117   HD21  ASN  15          1HD2      ASN  15  -2.043  -7.170   0.278
  118   HD22  ASN  15          2HD2      ASN  15  -2.850  -8.238   1.371
  119    H    VAL  16           H        VAL  16  -0.680  -5.459  -1.159
  120    HA   VAL  16           HA       VAL  16  -1.017  -3.904  -3.616
  121    HB   VAL  16           HB       VAL  16   0.323  -2.490  -2.155
  122   HG11  VAL  16          1HG1      VAL  16   2.104  -3.171  -0.926
  123   HG12  VAL  16          2HG1      VAL  16   2.585  -4.401  -2.096
  124   HG13  VAL  16          3HG1      VAL  16   1.234  -4.705  -1.002
  125   HG21  VAL  16          3HG2      VAL  16   1.235  -3.552  -4.684
  126   HG22  VAL  16          1HG2      VAL  16   2.588  -2.992  -3.699
  127   HG23  VAL  16          2HG2      VAL  16   1.262  -1.893  -4.084
  128    H    ILE  17           H        ILE  17  -1.499  -6.460  -3.764
  129    HA   ILE  17           HA       ILE  17  -0.951  -8.389  -4.839
  130    HB   ILE  17           HB       ILE  17   1.554  -6.970  -5.736
  131   HG12  ILE  17          2HG1      ILE  17  -0.522  -6.992  -7.721
  132   HG13  ILE  17          1HG1      ILE  17  -1.141  -6.254  -6.247
  133   HG21  ILE  17          1HG2      ILE  17   1.342  -9.461  -6.061
  134   HG22  ILE  17          2HG2      ILE  17   1.607  -8.518  -7.527
  135   HG23  ILE  17          3HG2      ILE  17  -0.005  -9.120  -7.146
  136   HD11  ILE  17          3HD1      ILE  17   1.380  -5.430  -7.670
  137   HD12  ILE  17          1HD1      ILE  17   0.671  -4.655  -6.253
  138   HD13  ILE  17          2HD1      ILE  17  -0.180  -4.617  -7.796
  139    H    SER  18           H        SER  18   0.129 -10.292  -4.421
  140    HA   SER  18           HA       SER  18   1.841 -10.264  -2.082
  141    HB2  SER  18           2HB      SER  18  -0.113 -11.975  -2.887
  142    HB3  SER  18           1HB      SER  18   1.322 -12.838  -3.439
  143    HG   SER  18           HG       SER  18   2.122 -12.411  -1.211
  144    H    SER  19           H        SER  19   2.034 -11.217  -5.481
  145    HA   SER  19           HA       SER  19   4.745 -12.125  -5.285
  146    HB2  SER  19           2HB      SER  19   4.342 -11.687  -7.956
  147    HB3  SER  19           1HB      SER  19   3.928 -13.176  -7.108
  148    HG   SER  19           HG       SER  19   1.833 -12.524  -6.977
  149    H    ILE  20           H        ILE  20   5.340 -10.065  -4.174
  150    HA   ILE  20           HA       ILE  20   6.625  -8.195  -4.145
  151    HB   ILE  20           HB       ILE  20   6.804  -8.385  -7.136
  152   HG12  ILE  20          2HG1      ILE  20   8.740  -9.692  -5.245
  153   HG13  ILE  20          1HG1      ILE  20   7.343 -10.554  -5.880
  154   HG21  ILE  20          1HG2      ILE  20   8.656  -7.260  -5.042
  155   HG22  ILE  20          2HG2      ILE  20   7.690  -6.340  -6.194
  156   HG23  ILE  20          3HG2      ILE  20   9.015  -7.351  -6.766
  157   HD11  ILE  20          3HD1      ILE  20   9.844 -10.301  -7.061
  158   HD12  ILE  20          1HD1      ILE  20   8.784  -9.246  -7.997
  159   HD13  ILE  20          2HD1      ILE  20   8.379 -10.951  -7.796
  160    H    CYS  21           H        CYS  21   6.554  -5.936  -4.658
  161    HA   CYS  21           HA       CYS  21   3.867  -5.048  -5.183
  162    HB2  CYS  21           2HB      CYS  21   6.174  -3.178  -4.771
  163    HB3  CYS  21           1HB      CYS  21   4.490  -2.981  -4.301
  164    H    ALA  22           H        ALA  22   6.193  -5.918  -7.248
  165    HA   ALA  22           HA       ALA  22   5.092  -4.839  -9.521
  166    HB1  ALA  22           1HB      ALA  22   5.677  -2.681  -9.444
  167    HB2  ALA  22           2HB      ALA  22   7.304  -3.240  -9.835
  168    HB3  ALA  22           3HB      ALA  22   6.850  -2.956  -8.155
  169    H    GLY  23           H        GLY  23   7.077  -4.576 -11.301
  170    HA2  GLY  23           2HA      GLY  23   8.461  -7.164 -11.075
  171    HA3  GLY  23           1HA      GLY  23   8.060  -6.354 -12.581
  172    H    THR  24           H        THR  24  10.486  -6.992 -10.365
  173    HA   THR  24           HA       THR  24  12.297  -5.205 -11.774
  174    HB   THR  24           HB       THR  24  13.304  -4.448  -9.588
  175    HG1  THR  24           1HG      THR  24  12.517  -5.269  -7.848
  176   HG21  THR  24          3HG2      THR  24  11.891  -2.918 -10.836
  177   HG22  THR  24          1HG2      THR  24  11.660  -2.726  -9.099
  178   HG23  THR  24          2HG2      THR  24  10.459  -3.591 -10.057
  179    H    ILE  25           H        ILE  25  14.620  -5.594 -10.918
  180    HA   ILE  25           HA       ILE  25  15.192  -8.347 -11.255
  181    HB   ILE  25           HB       ILE  25  17.079  -6.232 -10.218
  182   HG12  ILE  25          2HG1      ILE  25  16.064  -5.428 -12.274
  183   HG13  ILE  25          1HG1      ILE  25  17.724  -5.921 -12.595
  184   HG21  ILE  25          1HG2      ILE  25  17.362  -9.014 -11.147
  185   HG22  ILE  25          2HG2      ILE  25  18.346  -8.086 -10.014
  186   HG23  ILE  25          3HG2      ILE  25  18.564  -7.873 -11.751
  187   HD11  ILE  25          3HD1      ILE  25  16.631  -8.174 -13.287
  188   HD12  ILE  25          1HD1      ILE  25  16.605  -6.800 -14.393
  189   HD13  ILE  25          2HD1      ILE  25  15.172  -7.196 -13.445
  190    H    ILE  26           H        ILE  26  15.647  -6.190  -8.450
  191    HA   ILE  26           HA       ILE  26  16.154  -8.458  -6.718
  192    HB   ILE  26           HB       ILE  26  17.433  -6.383  -6.412
  193   HG12  ILE  26          2HG1      ILE  26  15.858  -6.420  -3.916
  194   HG13  ILE  26          1HG1      ILE  26  16.423  -7.994  -4.467
  195   HG21  ILE  26          1HG2      ILE  26  16.538  -4.338  -6.131
  196   HG22  ILE  26          2HG2      ILE  26  15.209  -4.940  -5.140
  197   HG23  ILE  26          3HG2      ILE  26  15.126  -5.068  -6.897
  198   HD11  ILE  26          3HD1      ILE  26  17.962  -5.654  -3.496
  199   HD12  ILE  26          1HD1      ILE  26  18.705  -6.701  -4.707
  200   HD13  ILE  26          2HD1      ILE  26  18.177  -7.373  -3.164
  201    H    THR  27           H        THR  27  14.764  -9.345  -5.291
  202    HA   THR  27           HA       THR  27  11.972  -8.729  -5.539
  203    HB   THR  27           HB       THR  27  13.266 -10.601  -3.559
  204    HG1  THR  27           1HG      THR  27  13.926 -11.567  -5.313
  205   HG21  THR  27          3HG2      THR  27  10.552 -10.681  -4.848
  206   HG22  THR  27          1HG2      THR  27  10.887 -10.195  -3.187
  207   HG23  THR  27          2HG2      THR  27  11.204 -11.852  -3.701
  208    H    ALA  28           H        ALA  28  12.633  -6.431  -4.735
  209    HA   ALA  28           HA       ALA  28  12.216  -6.350  -1.819
  210    HB1  ALA  28           1HB      ALA  28  13.587  -4.171  -3.358
  211    HB2  ALA  28           2HB      ALA  28  14.468  -5.554  -2.708
  212    HB3  ALA  28           3HB      ALA  28  13.597  -4.472  -1.620
  213    H    CYS  29           H        CYS  29  11.401  -4.968  -4.938
  214    HA   CYS  29           HA       CYS  29   9.684  -3.700  -5.666
  215    HB2  CYS  29           2HB      CYS  29   7.617  -4.257  -4.905
  216    HB3  CYS  29           1HB      CYS  29   8.515  -5.538  -4.120
  217    H    LYS  30           H        LYS  30   9.059  -1.585  -5.648
  218    HA   LYS  30           HA       LYS  30  10.435   0.163  -3.881
  219    HB2  LYS  30           2HB      LYS  30   9.286   0.402  -6.375
  220    HB3  LYS  30           1HB      LYS  30   8.211   1.358  -5.364
  221    HG2  LYS  30           2HG      LYS  30  10.832   2.060  -4.626
  222    HG3  LYS  30           1HG      LYS  30  10.797   2.017  -6.388
  223    HD2  LYS  30           2HD      LYS  30   8.462   3.304  -5.826
  224    HD3  LYS  30           1HD      LYS  30   9.500   3.867  -4.514
  225    HE2  LYS  30           2HE      LYS  30  11.207   4.482  -6.221
  226    HE3  LYS  30           1HE      LYS  30  10.040   4.062  -7.474
  227    HZ1  LYS  30           3HZ      LYS  30   9.926   6.279  -5.524
  228    HZ2  LYS  30           1HZ      LYS  30   8.532   5.731  -6.309
  229    HZ3  LYS  30           2HZ      LYS  30   9.822   6.350  -7.210
  230    H    ASN  31           H        ASN  31   7.191  -1.105  -4.024
  231    HA   ASN  31           HA       ASN  31   5.381  -0.927  -2.656
  232    HB2  ASN  31           2HB      ASN  31   7.506  -1.597  -1.103
  233    HB3  ASN  31           1HB      ASN  31   6.968  -0.126  -0.298
  234   HD21  ASN  31          1HD2      ASN  31   6.879  -2.543   0.978
  235   HD22  ASN  31          2HD2      ASN  31   5.234  -3.022   1.201
  236    H    CYS  32           H        CYS  32   4.343   0.548  -0.869
  237    HA   CYS  32           HA       CYS  32   4.319   3.208  -1.984
  238    HB2  CYS  32           2HB      CYS  32   2.496   1.562  -0.543
  239    HB3  CYS  32           1HB      CYS  32   2.727   3.041   0.380
  240    H    ALA  33           H        ALA  33   5.302   1.670   1.032
  241    HA   ALA  33           HA       ALA  33   6.051   4.197   2.233
  242    HB1  ALA  33           1HB      ALA  33   6.284   1.345   3.169
  243    HB2  ALA  33           2HB      ALA  33   5.154   2.580   3.727
  244    HB3  ALA  33           3HB      ALA  33   6.873   2.724   4.097
  Start of MODEL    9
    1    H1   ALA   1           1HT      ALA   1 -16.474  13.107  -2.031
    2    H2   ALA   1           2HT      ALA   1 -16.644  14.813  -1.954
    3    H3   ALA   1           3HT      ALA   1 -15.530  14.107  -3.053
    4    HA   ALA   1           HA       ALA   1 -18.412  13.581  -3.142
    5    HB1  ALA   1           2HB      ALA   1 -17.118  15.513  -5.001
    6    HB2  ALA   1           3HB      ALA   1 -17.591  16.066  -3.394
    7    HB3  ALA   1           1HB      ALA   1 -18.801  15.393  -4.486
    8    H    ASP   2           H        ASP   2 -15.422  13.995  -5.045
    9    HA   ASP   2           HA       ASP   2 -16.328  11.886  -6.859
   10    HB2  ASP   2           2HB      ASP   2 -14.522  12.631  -8.332
   11    HB3  ASP   2           1HB      ASP   2 -15.526  13.995  -7.851
   12    H    ARG   3           H        ARG   3 -14.008  10.835  -7.787
   13    HA   ARG   3           HA       ARG   3 -12.411   9.266  -7.391
   14    HB2  ARG   3           2HB      ARG   3 -11.962  11.274  -5.452
   15    HB3  ARG   3           1HB      ARG   3 -11.800   9.733  -4.623
   16    HG2  ARG   3           2HG      ARG   3 -10.427   9.530  -7.093
   17    HG3  ARG   3           1HG      ARG   3  -9.948  11.046  -6.328
   18    HD2  ARG   3           2HD      ARG   3  -9.894   9.308  -4.222
   19    HD3  ARG   3           1HD      ARG   3  -9.377   8.276  -5.555
   20    HE   ARG   3           HE       ARG   3  -7.869  10.340  -4.313
   21   HH11  ARG   3          1HH1      ARG   3  -8.437   8.785  -7.385
   22   HH12  ARG   3          2HH1      ARG   3  -6.868   9.170  -8.011
   23   HH21  ARG   3          1HH2      ARG   3  -5.806  10.847  -5.134
   24   HH22  ARG   3          2HH2      ARG   3  -5.374  10.340  -6.733
   25    H    GLY   4           H        GLY   4 -13.291   7.295  -7.379
   26    HA2  GLY   4           2HA      GLY   4 -14.592   6.390  -4.882
   27    HA3  GLY   4           1HA      GLY   4 -15.137   5.897  -6.478
   28    H    TRP   5           H        TRP   5 -12.795   5.268  -7.739
   29    HA   TRP   5           HA       TRP   5 -12.073   2.813  -6.353
   30    HB2  TRP   5           2HB      TRP   5 -12.688   3.119  -8.893
   31    HB3  TRP   5           1HB      TRP   5 -10.991   3.562  -9.043
   32    HD1  TRP   5           HD       TRP   5  -9.786   1.412  -7.004
   33    HE1  TRP   5           1HE      TRP   5  -9.740  -1.070  -7.684
   34    HE3  TRP   5           3HE      TRP   5 -13.419   1.488 -10.603
   35    HZ2  TRP   5           2HZ      TRP   5 -11.067  -2.770  -9.504
   36    HZ3  TRP   5           3HZ      TRP   5 -13.969  -0.609 -11.765
   37    HH2  TRP   5           HH       TRP   5 -12.818  -2.694 -11.226
   38    H    ILE   6           H        ILE   6 -10.263   2.579  -5.227
   39    HA   ILE   6           HA       ILE   6  -8.065   4.488  -5.695
   40    HB   ILE   6           HB       ILE   6  -7.421   3.990  -3.296
   41   HG12  ILE   6          2HG1      ILE   6 -10.249   2.910  -3.222
   42   HG13  ILE   6          1HG1      ILE   6  -8.781   1.956  -3.029
   43   HG21  ILE   6          1HG2      ILE   6  -9.615   5.367  -2.524
   44   HG22  ILE   6          2HG2      ILE   6  -9.670   5.616  -4.269
   45   HG23  ILE   6          3HG2      ILE   6  -8.236   6.086  -3.355
   46   HD11  ILE   6          3HD1      ILE   6 -10.277   3.083  -1.017
   47   HD12  ILE   6          1HD1      ILE   6  -8.903   4.178  -1.173
   48   HD13  ILE   6          2HD1      ILE   6  -8.633   2.461  -0.873
   49    H    LYS   7           H        LYS   7  -5.914   3.710  -5.474
   50    HA   LYS   7           HA       LYS   7  -5.524   0.831  -5.287
   51    HB2  LYS   7           2HB      LYS   7  -4.062   0.966  -7.396
   52    HB3  LYS   7           1HB      LYS   7  -5.805   0.906  -7.609
   53    HG2  LYS   7           2HG      LYS   7  -4.888   3.631  -7.392
   54    HG3  LYS   7           1HG      LYS   7  -4.038   2.770  -8.676
   55    HD2  LYS   7           2HD      LYS   7  -5.876   2.633  -9.967
   56    HD3  LYS   7           1HD      LYS   7  -6.932   2.289  -8.595
   57    HE2  LYS   7           2HE      LYS   7  -6.381   4.847  -8.066
   58    HE3  LYS   7           1HE      LYS   7  -6.177   4.883  -9.816
   59    HZ1  LYS   7           3HZ      LYS   7  -8.478   5.367  -8.875
   60    HZ2  LYS   7           1HZ      LYS   7  -8.588   3.704  -8.579
   61    HZ3  LYS   7           2HZ      LYS   7  -8.381   4.272 -10.159
   62    H    DBB   8           H        DBB   8  -4.290   1.089  -3.465
   63    HA   DBB   8           HA       DBB   8  -1.558   1.781  -3.849
   64    HB3  DBB   8           HB       DBB   8  -3.100   1.144  -1.321
   65    HG1  DBB   8          3HG2      DBB   8  -2.308  -1.050  -1.493
   66    HG2  DBB   8          1HG2      DBB   8  -1.102  -0.620  -2.706
   67    HG3  DBB   8          2HG2      DBB   8  -2.812  -0.659  -3.134
   68    H    LEU   9           H        LEU   9  -3.591   3.042  -1.217
   69    HA   LEU   9           HA       LEU   9  -3.478   5.740  -1.957
   70    HB2  LEU   9           2HB      LEU   9  -3.505   5.037   0.936
   71    HB3  LEU   9           1HB      LEU   9  -4.424   6.256   0.080
   72    HG   LEU   9           HG       LEU   9  -6.084   4.781   0.615
   73   HD11  LEU   9          1HD1      LEU   9  -6.908   4.133  -1.359
   74   HD12  LEU   9          2HD1      LEU   9  -5.509   3.126  -1.729
   75   HD13  LEU   9          3HD1      LEU   9  -5.446   4.863  -2.023
   76   HD21  LEU   9          3HD2      LEU   9  -4.960   2.199  -0.032
   77   HD22  LEU   9          1HD2      LEU   9  -5.700   2.763   1.465
   78   HD23  LEU   9          2HD2      LEU   9  -3.985   3.048   1.167
   79    H    DBB  10           H        DBB  10  -1.371   3.818   0.093
   80    HA   DBB  10           HA       DBB  10   0.304   5.978   0.865
   81    HB3  DBB  10           HB       DBB  10   0.871   5.800  -1.549
   82    HG1  DBB  10          3HG2      DBB  10   3.366   5.513  -1.246
   83    HG2  DBB  10          1HG2      DBB  10   3.027   5.160   0.448
   84    HG3  DBB  10          2HG2      DBB  10   2.591   6.727  -0.230
   85    H    LYS  11           H        LYS  11   1.206   5.406   2.710
   86    HA   LYS  11           HA       LYS  11   2.460   2.895   3.156
   87    HB2  LYS  11           2HB      LYS  11   1.614   4.835   5.301
   88    HB3  LYS  11           1HB      LYS  11   2.951   3.695   5.339
   89    HG2  LYS  11           2HG      LYS  11   4.302   5.295   4.631
   90    HG3  LYS  11           1HG      LYS  11   3.390   5.376   3.123
   91    HD2  LYS  11           2HD      LYS  11   2.980   7.499   3.732
   92    HD3  LYS  11           1HD      LYS  11   1.781   6.785   4.811
   93    HE2  LYS  11           2HE      LYS  11   3.059   7.108   6.672
   94    HE3  LYS  11           1HE      LYS  11   4.578   6.965   5.787
   95    HZ1  LYS  11           3HZ      LYS  11   4.620   9.177   6.089
   96    HZ2  LYS  11           1HZ      LYS  11   2.946   9.308   6.302
   97    HZ3  LYS  11           2HZ      LYS  11   3.596   9.209   4.743
   98    H    ASP  12           H        ASP  12  -0.768   4.043   3.543
   99    HA   ASP  12           HA       ASP  12  -1.484   1.822   5.303
  100    HB2  ASP  12           2HB      ASP  12  -3.707   2.917   5.400
  101    HB3  ASP  12           1HB      ASP  12  -2.402   3.987   5.904
  102    H    CYS  13           H        CYS  13  -0.690   1.467   2.466
  103    HA   CYS  13           HA       CYS  13  -2.868   0.976   0.801
  104    HB2  CYS  13           2HB      CYS  13  -0.049   0.044   0.935
  105    HB3  CYS  13           1HB      CYS  13  -1.146  -0.872  -0.089
  106    HA   PRO  14           HA       PRO  14  -4.635  -2.638   2.689
  107    HB2  PRO  14           2HB      PRO  14  -6.127  -3.225   0.300
  108    HB3  PRO  14           1HB      PRO  14  -6.692  -2.449   1.779
  109    HG2  PRO  14           2HG      PRO  14  -6.472  -1.178  -0.647
  110    HG3  PRO  14           1HG      PRO  14  -6.437  -0.353   0.920
  111    HD2  PRO  14           2HD      PRO  14  -4.164  -1.133  -0.866
  112    HD3  PRO  14           1HD      PRO  14  -4.395   0.348   0.087
  113    H    ASN  15           H        ASN  15  -2.081  -3.206   1.705
  114    HA   ASN  15           HA       ASN  15  -0.779  -4.959   1.104
  115    HB2  ASN  15           2HB      ASN  15  -3.143  -6.102   2.144
  116    HB3  ASN  15           1HB      ASN  15  -2.740  -7.015   0.693
  117   HD21  ASN  15          1HD2      ASN  15  -0.080  -7.085   0.652
  118   HD22  ASN  15          2HD2      ASN  15   0.548  -7.873   2.056
  119    H    VAL  16           H        VAL  16   0.078  -5.648  -0.759
  120    HA   VAL  16           HA       VAL  16  -1.274  -6.528  -3.028
  121    HB   VAL  16           HB       VAL  16  -2.174  -4.306  -3.269
  122   HG11  VAL  16          1HG1      VAL  16  -1.004  -2.674  -2.292
  123   HG12  VAL  16          2HG1      VAL  16  -0.143  -2.569  -3.827
  124   HG13  VAL  16          3HG1      VAL  16   0.531  -3.516  -2.500
  125   HG21  VAL  16          3HG2      VAL  16  -1.605  -5.406  -5.338
  126   HG22  VAL  16          1HG2      VAL  16   0.057  -4.824  -5.234
  127   HG23  VAL  16          2HG2      VAL  16  -1.262  -3.682  -5.487
  128    H    ILE  17           H        ILE  17   0.558  -7.933  -2.634
  129    HA   ILE  17           HA       ILE  17   2.944  -6.993  -4.053
  130    HB   ILE  17           HB       ILE  17   3.153  -8.635  -1.535
  131   HG12  ILE  17          2HG1      ILE  17   3.790  -5.695  -1.808
  132   HG13  ILE  17          1HG1      ILE  17   2.262  -6.287  -1.163
  133   HG21  ILE  17          1HG2      ILE  17   5.135  -9.042  -2.529
  134   HG22  ILE  17          2HG2      ILE  17   5.549  -7.456  -1.879
  135   HG23  ILE  17          3HG2      ILE  17   5.035  -7.613  -3.558
  136   HD11  ILE  17          3HD1      ILE  17   4.478  -5.715   0.307
  137   HD12  ILE  17          1HD1      ILE  17   4.621  -7.460   0.101
  138   HD13  ILE  17          2HD1      ILE  17   3.165  -6.774   0.822
  139    H    SER  18           H        SER  18   0.536  -8.971  -4.332
  140    HA   SER  18           HA       SER  18   2.083 -11.391  -4.938
  141    HB2  SER  18           2HB      SER  18  -0.108 -12.523  -5.083
  142    HB3  SER  18           1HB      SER  18   0.107 -11.728  -3.523
  143    HG   SER  18           HG       SER  18  -1.582 -10.570  -3.949
  144    H    SER  19           H        SER  19  -0.852 -10.051  -6.422
  145    HA   SER  19           HA       SER  19   0.155 -10.721  -9.051
  146    HB2  SER  19           2HB      SER  19  -2.362  -9.179  -8.802
  147    HB3  SER  19           1HB      SER  19  -2.013 -10.624  -9.749
  148    HG   SER  19           HG       SER  19  -2.753 -10.402  -7.045
  149    H    ILE  20           H        ILE  20  -0.168  -7.925  -7.034
  150    HA   ILE  20           HA       ILE  20   0.496  -5.776  -7.261
  151    HB   ILE  20           HB       ILE  20   2.388  -7.263  -8.667
  152   HG12  ILE  20          2HG1      ILE  20   2.333  -4.368  -7.811
  153   HG13  ILE  20          1HG1      ILE  20   2.917  -5.744  -6.882
  154   HG21  ILE  20          1HG2      ILE  20   3.020  -6.012 -10.592
  155   HG22  ILE  20          2HG2      ILE  20   1.785  -4.794 -10.280
  156   HG23  ILE  20          3HG2      ILE  20   1.313  -6.422 -10.768
  157   HD11  ILE  20          3HD1      ILE  20   4.165  -4.639  -9.390
  158   HD12  ILE  20          1HD1      ILE  20   4.740  -6.042  -8.490
  159   HD13  ILE  20          2HD1      ILE  20   4.766  -4.445  -7.743
  160    H    CYS  21           H        CYS  21  -0.329  -3.931  -8.107
  161    HA   CYS  21           HA       CYS  21  -2.579  -4.027  -9.726
  162    HB2  CYS  21           2HB      CYS  21  -0.792  -1.621  -9.381
  163    HB3  CYS  21           1HB      CYS  21  -2.515  -1.624  -9.742
  164    H    ALA  22           H        ALA  22   0.734  -3.176 -10.553
  165    HA   ALA  22           HA       ALA  22   0.238  -2.561 -13.266
  166    HB1  ALA  22           1HB      ALA  22   2.907  -3.494 -12.946
  167    HB2  ALA  22           2HB      ALA  22   2.463  -2.563 -11.516
  168    HB3  ALA  22           3HB      ALA  22   2.329  -1.836 -13.117
  169    H    GLY  23           H        GLY  23   2.083  -4.012 -14.707
  170    HA2  GLY  23           2HA      GLY  23   0.774  -6.652 -14.776
  171    HA3  GLY  23           1HA      GLY  23   1.439  -5.830 -16.179
  172    H    THR  24           H        THR  24   2.865  -6.362 -12.974
  173    HA   THR  24           HA       THR  24   4.827  -7.312 -12.332
  174    HB   THR  24           HB       THR  24   4.692  -9.183 -14.666
  175    HG1  THR  24           1HG      THR  24   2.955  -9.233 -12.425
  176   HG21  THR  24          3HG2      THR  24   5.240  -9.639 -11.743
  177   HG22  THR  24          1HG2      THR  24   6.451  -9.535 -13.021
  178   HG23  THR  24          2HG2      THR  24   5.287 -10.859 -13.015
  179    H    ILE  25           H        ILE  25   6.167  -5.558 -12.792
  180    HA   ILE  25           HA       ILE  25   7.851  -5.922 -15.174
  181    HB   ILE  25           HB       ILE  25   6.999  -3.214 -14.152
  182   HG12  ILE  25          2HG1      ILE  25   5.079  -4.422 -15.118
  183   HG13  ILE  25          1HG1      ILE  25   5.567  -3.065 -16.130
  184   HG21  ILE  25          1HG2      ILE  25   8.460  -4.058 -16.651
  185   HG22  ILE  25          2HG2      ILE  25   9.166  -3.246 -15.254
  186   HG23  ILE  25          3HG2      ILE  25   7.975  -2.410 -16.251
  187   HD11  ILE  25          3HD1      ILE  25   5.632  -4.460 -17.841
  188   HD12  ILE  25          1HD1      ILE  25   5.365  -5.846 -16.784
  189   HD13  ILE  25          2HD1      ILE  25   7.003  -5.264 -17.079
  190    H    ILE  26           H        ILE  26   7.707  -3.736 -12.357
  191    HA   ILE  26           HA       ILE  26  10.238  -4.807 -11.396
  192    HB   ILE  26           HB       ILE  26  10.865  -2.225 -11.051
  193   HG12  ILE  26          2HG1      ILE  26   9.972  -1.993 -13.860
  194   HG13  ILE  26          1HG1      ILE  26   8.692  -1.902 -12.655
  195   HG21  ILE  26          1HG2      ILE  26  12.329  -2.453 -13.043
  196   HG22  ILE  26          2HG2      ILE  26  11.434  -3.908 -13.484
  197   HG23  ILE  26          3HG2      ILE  26  12.353  -3.861 -11.979
  198   HD11  ILE  26          3HD1      ILE  26   9.444   0.072 -11.806
  199   HD12  ILE  26          1HD1      ILE  26   9.960   0.242 -13.485
  200   HD13  ILE  26          2HD1      ILE  26  11.121  -0.247 -12.251
  201    H    THR  27           H        THR  27   8.502  -1.777 -10.705
  202    HA   THR  27           HA       THR  27   7.393  -2.817  -8.259
  203    HB   THR  27           HB       THR  27   8.896  -0.479  -7.529
  204    HG1  THR  27           1HG      THR  27  10.481  -2.705  -8.274
  205   HG21  THR  27          3HG2      THR  27   9.053  -3.309  -6.519
  206   HG22  THR  27          1HG2      THR  27   7.990  -2.043  -5.905
  207   HG23  THR  27          2HG2      THR  27   9.738  -1.887  -5.732
  208    H    ALA  28           H        ALA  28   5.407  -2.084  -8.920
  209    HA   ALA  28           HA       ALA  28   5.151   0.839  -9.162
  210    HB1  ALA  28           1HB      ALA  28   3.581   0.632 -10.845
  211    HB2  ALA  28           2HB      ALA  28   3.236  -1.054 -10.454
  212    HB3  ALA  28           3HB      ALA  28   4.760  -0.621 -11.232
  213    H    CYS  29           H        CYS  29   3.623  -2.147  -8.053
  214    HA   CYS  29           HA       CYS  29   2.095  -0.540  -6.121
  215    HB2  CYS  29           2HB      CYS  29   0.987  -2.023  -8.216
  216    HB3  CYS  29           1HB      CYS  29   0.755  -3.022  -6.785
  217    H    LYS  30           H        LYS  30   4.629  -2.354  -6.199
  218    HA   LYS  30           HA       LYS  30   3.972  -4.480  -4.383
  219    HB2  LYS  30           2HB      LYS  30   6.025  -4.055  -6.128
  220    HB3  LYS  30           1HB      LYS  30   6.793  -3.666  -4.595
  221    HG2  LYS  30           2HG      LYS  30   6.463  -5.819  -3.750
  222    HG3  LYS  30           1HG      LYS  30   5.254  -6.209  -4.976
  223    HD2  LYS  30           2HD      LYS  30   7.179  -5.863  -6.660
  224    HD3  LYS  30           1HD      LYS  30   8.234  -6.022  -5.254
  225    HE2  LYS  30           2HE      LYS  30   6.112  -8.064  -5.761
  226    HE3  LYS  30           1HE      LYS  30   7.620  -8.124  -6.673
  227    HZ1  LYS  30           3HZ      LYS  30   8.851  -8.517  -4.768
  228    HZ2  LYS  30           1HZ      LYS  30   7.455  -9.432  -4.493
  229    HZ3  LYS  30           2HZ      LYS  30   7.650  -7.936  -3.730
  230    H    ASN  31           H        ASN  31   5.107  -1.203  -4.143
  231    HA   ASN  31           HA       ASN  31   4.813  -1.330  -1.247
  232    HB2  ASN  31           2HB      ASN  31   7.302  -1.646  -2.126
  233    HB3  ASN  31           1HB      ASN  31   7.228   0.110  -2.244
  234   HD21  ASN  31          1HD2      ASN  31   7.393  -2.610  -0.155
  235   HD22  ASN  31          2HD2      ASN  31   7.554  -1.739   1.329
  236    H    CYS  32           H        CYS  32   5.203   1.008  -0.345
  237    HA   CYS  32           HA       CYS  32   4.243   3.025  -2.236
  238    HB2  CYS  32           2HB      CYS  32   2.542   1.750  -0.421
  239    HB3  CYS  32           1HB      CYS  32   2.903   3.303   0.321
  240    H    ALA  33           H        ALA  33   4.871   2.677   1.262
  241    HA   ALA  33           HA       ALA  33   6.202   3.843   2.693
  242    HB1  ALA  33           1HB      ALA  33   8.098   5.202   1.368
  243    HB2  ALA  33           2HB      ALA  33   7.632   4.049   0.118
  244    HB3  ALA  33           3HB      ALA  33   8.192   3.470   1.687
  Start of MODEL   10
    1    H1   ALA   1           1HT      ALA   1 -15.189   6.541 -14.856
    2    H2   ALA   1           2HT      ALA   1 -14.037   7.704 -15.371
    3    H3   ALA   1           3HT      ALA   1 -15.065   6.944 -16.516
    4    HA   ALA   1           HA       ALA   1 -15.886   9.072 -16.171
    5    HB1  ALA   1           2HB      ALA   1 -17.378   6.853 -15.918
    6    HB2  ALA   1           3HB      ALA   1 -18.049   8.484 -15.894
    7    HB3  ALA   1           1HB      ALA   1 -17.739   7.636 -14.380
    8    H    ASP   2           H        ASP   2 -15.662   7.381 -13.046
    9    HA   ASP   2           HA       ASP   2 -14.960   9.924 -11.784
   10    HB2  ASP   2           2HB      ASP   2 -17.516   9.075 -11.583
   11    HB3  ASP   2           1HB      ASP   2 -16.808   8.219 -10.217
   12    H    ARG   3           H        ARG   3 -14.676   9.238  -9.225
   13    HA   ARG   3           HA       ARG   3 -13.161   6.739  -9.106
   14    HB2  ARG   3           2HB      ARG   3 -11.219   7.822  -8.121
   15    HB3  ARG   3           1HB      ARG   3 -11.541   8.491  -9.714
   16    HG2  ARG   3           2HG      ARG   3 -11.848  10.543  -8.908
   17    HG3  ARG   3           1HG      ARG   3 -12.869   9.966  -7.590
   18    HD2  ARG   3           2HD      ARG   3 -11.154   9.880  -6.126
   19    HD3  ARG   3           1HD      ARG   3 -10.008   9.324  -7.345
   20    HE   ARG   3           HE       ARG   3 -10.772  12.066  -7.682
   21   HH11  ARG   3          1HH1      ARG   3  -8.613   9.906  -5.995
   22   HH12  ARG   3          2HH1      ARG   3  -7.409  11.120  -5.725
   23   HH21  ARG   3          1HH2      ARG   3  -9.188  13.664  -7.333
   24   HH22  ARG   3          2HH2      ARG   3  -7.734  13.254  -6.483
   25    H    GLY   4           H        GLY   4 -12.392   6.338  -6.790
   26    HA2  GLY   4           2HA      GLY   4 -14.015   7.607  -4.740
   27    HA3  GLY   4           1HA      GLY   4 -14.379   5.917  -5.053
   28    H    TRP   5           H        TRP   5 -12.975   4.331  -4.362
   29    HA   TRP   5           HA       TRP   5 -11.201   5.098  -2.229
   30    HB2  TRP   5           2HB      TRP   5 -12.695   2.817  -2.862
   31    HB3  TRP   5           1HB      TRP   5 -11.015   2.305  -2.989
   32    HD1  TRP   5           HD       TRP   5  -9.566   2.269  -0.749
   33    HE1  TRP   5           1HE      TRP   5 -10.231   2.300   1.737
   34    HE3  TRP   5           3HE      TRP   5 -14.427   3.781  -1.227
   35    HZ2  TRP   5           2HZ      TRP   5 -12.513   2.888   3.290
   36    HZ3  TRP   5           3HZ      TRP   5 -15.782   4.053   0.809
   37    HH2  TRP   5           HH       TRP   5 -14.843   3.615   3.020
   38    H    ILE   6           H        ILE   6  -9.084   3.550  -2.210
   39    HA   ILE   6           HA       ILE   6  -7.727   3.752  -4.796
   40    HB   ILE   6           HB       ILE   6  -6.481   4.829  -2.268
   41   HG12  ILE   6          2HG1      ILE   6  -6.732   6.994  -3.876
   42   HG13  ILE   6          1HG1      ILE   6  -8.193   6.114  -4.313
   43   HG21  ILE   6          1HG2      ILE   6  -4.619   5.316  -3.497
   44   HG22  ILE   6          2HG2      ILE   6  -5.517   5.459  -5.008
   45   HG23  ILE   6          3HG2      ILE   6  -5.163   3.866  -4.341
   46   HD11  ILE   6          3HD1      ILE   6  -8.151   7.864  -2.346
   47   HD12  ILE   6          1HD1      ILE   6  -7.596   6.461  -1.431
   48   HD13  ILE   6          2HD1      ILE   6  -9.145   6.409  -2.273
   49    H    LYS   7           H        LYS   7  -6.368   2.099  -5.192
   50    HA   LYS   7           HA       LYS   7  -6.042   0.096  -3.082
   51    HB2  LYS   7           2HB      LYS   7  -5.274  -1.351  -5.028
   52    HB3  LYS   7           1HB      LYS   7  -6.963  -0.863  -5.035
   53    HG2  LYS   7           2HG      LYS   7  -6.602   0.727  -6.737
   54    HG3  LYS   7           1HG      LYS   7  -4.848   0.626  -6.561
   55    HD2  LYS   7           2HD      LYS   7  -4.897  -1.678  -7.378
   56    HD3  LYS   7           1HD      LYS   7  -6.652  -1.587  -7.541
   57    HE2  LYS   7           2HE      LYS   7  -6.546  -0.344  -9.429
   58    HE3  LYS   7           1HE      LYS   7  -5.114   0.534  -8.896
   59    HZ1  LYS   7           3HZ      LYS   7  -3.832  -1.536  -9.356
   60    HZ2  LYS   7           1HZ      LYS   7  -4.497  -0.809 -10.732
   61    HZ3  LYS   7           2HZ      LYS   7  -5.220  -2.187 -10.070
   62    H    DBB   8           H        DBB   8  -4.461   2.497  -3.041
   63    HA   DBB   8           HA       DBB   8  -1.870   2.024  -4.088
   64    HB3  DBB   8           HB       DBB   8  -1.821   0.249  -2.417
   65    HG1  DBB   8          3HG2      DBB   8   0.137   0.808  -1.203
   66    HG2  DBB   8          1HG2      DBB   8  -0.232   2.531  -1.265
   67    HG3  DBB   8          2HG2      DBB   8   0.247   1.679  -2.731
   68    H    LEU   9           H        LEU   9  -3.745   3.509  -1.479
   69    HA   LEU   9           HA       LEU   9  -3.222   6.128  -2.227
   70    HB2  LEU   9           2HB      LEU   9  -4.158   6.801  -0.142
   71    HB3  LEU   9           1HB      LEU   9  -5.034   5.387  -0.697
   72    HG   LEU   9           HG       LEU   9  -2.791   4.779   1.103
   73   HD11  LEU   9          1HD1      LEU   9  -4.518   5.427   3.026
   74   HD12  LEU   9          2HD1      LEU   9  -4.911   6.698   1.870
   75   HD13  LEU   9          3HD1      LEU   9  -3.261   6.529   2.468
   76   HD21  LEU   9          3HD2      LEU   9  -4.412   3.108   0.335
   77   HD22  LEU   9          1HD2      LEU   9  -5.712   4.021   1.099
   78   HD23  LEU   9          2HD2      LEU   9  -4.450   3.289   2.089
   79    H    DBB  10           H        DBB  10  -1.298   3.941  -0.331
   80    HA   DBB  10           HA       DBB  10   0.386   5.997   0.766
   81    HB3  DBB  10           HB       DBB  10   0.917   5.620  -1.779
   82    HG1  DBB  10          3HG2      DBB  10   3.354   6.011  -1.340
   83    HG2  DBB  10          1HG2      DBB  10   3.007   5.811   0.376
   84    HG3  DBB  10          2HG2      DBB  10   2.252   7.121  -0.527
   85    H    LYS  11           H        LYS  11   1.191   5.289   2.618
   86    HA   LYS  11           HA       LYS  11   2.163   2.605   2.959
   87    HB2  LYS  11           2HB      LYS  11   1.893   4.951   4.834
   88    HB3  LYS  11           1HB      LYS  11   2.511   3.389   5.349
   89    HG2  LYS  11           2HG      LYS  11   4.225   3.636   3.480
   90    HG3  LYS  11           1HG      LYS  11   3.720   5.326   3.408
   91    HD2  LYS  11           2HD      LYS  11   5.321   5.627   4.963
   92    HD3  LYS  11           1HD      LYS  11   4.098   5.013   6.076
   93    HE2  LYS  11           2HE      LYS  11   5.155   3.035   6.358
   94    HE3  LYS  11           1HE      LYS  11   5.716   2.975   4.688
   95    HZ1  LYS  11           3HZ      LYS  11   6.906   5.009   6.403
   96    HZ2  LYS  11           1HZ      LYS  11   7.614   4.066   5.189
   97    HZ3  LYS  11           2HZ      LYS  11   7.337   3.405   6.721
   98    H    ASP  12           H        ASP  12  -0.895   3.958   3.113
   99    HA   ASP  12           HA       ASP  12  -1.860   2.272   5.276
  100    HB2  ASP  12           2HB      ASP  12  -2.871   4.594   3.777
  101    HB3  ASP  12           1HB      ASP  12  -4.098   3.401   4.193
  102    H    CYS  13           H        CYS  13  -0.828   1.087   2.751
  103    HA   CYS  13           HA       CYS  13  -3.280  -0.258   1.829
  104    HB2  CYS  13           2HB      CYS  13  -0.638   0.200   0.442
  105    HB3  CYS  13           1HB      CYS  13  -1.874  -0.889  -0.177
  106    HA   PRO  14           HA       PRO  14  -1.197  -3.530   4.245
  107    HB2  PRO  14           2HB      PRO  14  -3.866  -4.735   4.267
  108    HB3  PRO  14           1HB      PRO  14  -2.853  -4.239   5.625
  109    HG2  PRO  14           2HG      PRO  14  -5.105  -2.916   4.951
  110    HG3  PRO  14           1HG      PRO  14  -3.690  -2.094   5.638
  111    HD2  PRO  14           2HD      PRO  14  -4.590  -2.252   2.783
  112    HD3  PRO  14           1HD      PRO  14  -3.944  -0.865   3.686
  113    H    ASN  15           H        ASN  15  -3.135  -3.662   1.382
  114    HA   ASN  15           HA       ASN  15  -2.095  -6.353   0.791
  115    HB2  ASN  15           2HB      ASN  15  -4.647  -4.975   0.100
  116    HB3  ASN  15           1HB      ASN  15  -3.990  -6.122  -1.064
  117   HD21  ASN  15          1HD2      ASN  15  -5.591  -7.623  -0.805
  118   HD22  ASN  15          2HD2      ASN  15  -5.792  -8.552   0.638
  119    H    VAL  16           H        VAL  16  -3.391  -3.949  -1.451
  120    HA   VAL  16           HA       VAL  16  -2.590  -3.254  -3.478
  121    HB   VAL  16           HB       VAL  16  -1.636  -1.603  -1.970
  122   HG11  VAL  16          1HG1      VAL  16   0.810  -1.851  -1.347
  123   HG12  VAL  16          2HG1      VAL  16   0.631  -3.560  -1.741
  124   HG13  VAL  16          3HG1      VAL  16  -0.340  -2.846  -0.455
  125   HG21  VAL  16          3HG2      VAL  16  -0.942  -0.798  -3.934
  126   HG22  VAL  16          1HG2      VAL  16  -0.404  -2.382  -4.494
  127   HG23  VAL  16          2HG2      VAL  16   0.651  -1.401  -3.477
  128    H    ILE  17           H        ILE  17  -2.479  -5.803  -3.799
  129    HA   ILE  17           HA       ILE  17   0.183  -6.322  -4.924
  130    HB   ILE  17           HB       ILE  17   0.175  -7.718  -3.041
  131   HG12  ILE  17          2HG1      ILE  17  -0.857  -9.545  -5.207
  132   HG13  ILE  17          1HG1      ILE  17   0.737  -8.798  -5.271
  133   HG21  ILE  17          1HG2      ILE  17  -2.288  -7.465  -2.619
  134   HG22  ILE  17          2HG2      ILE  17  -1.626  -9.065  -2.281
  135   HG23  ILE  17          3HG2      ILE  17  -2.542  -8.785  -3.761
  136   HD11  ILE  17          3HD1      ILE  17   1.314  -9.906  -3.156
  137   HD12  ILE  17          1HD1      ILE  17   0.894 -11.053  -4.429
  138   HD13  ILE  17          2HD1      ILE  17  -0.267 -10.686  -3.154
  139    H    SER  18           H        SER  18   0.213  -7.000  -6.929
  140    HA   SER  18           HA       SER  18  -1.534  -8.620  -8.296
  141    HB2  SER  18           2HB      SER  18  -2.471  -6.458  -9.709
  142    HB3  SER  18           1HB      SER  18  -3.392  -7.342  -8.494
  143    HG   SER  18           HG       SER  18  -1.705  -5.185  -7.800
  144    H    SER  19           H        SER  19  -0.468  -5.397  -9.337
  145    HA   SER  19           HA       SER  19   1.706  -6.620 -10.874
  146    HB2  SER  19           2HB      SER  19   1.001  -4.906 -12.734
  147    HB3  SER  19           1HB      SER  19   0.188  -6.468 -12.626
  148    HG   SER  19           HG       SER  19  -1.414  -4.975 -12.753
  149    H    ILE  20           H        ILE  20   2.985  -5.679  -9.175
  150    HA   ILE  20           HA       ILE  20   4.466  -4.130  -8.438
  151    HB   ILE  20           HB       ILE  20   3.921  -3.271 -11.079
  152   HG12  ILE  20          2HG1      ILE  20   6.105  -2.603  -9.100
  153   HG13  ILE  20          1HG1      ILE  20   6.108  -3.895 -10.295
  154   HG21  ILE  20          1HG2      ILE  20   2.676  -1.383 -10.100
  155   HG22  ILE  20          2HG2      ILE  20   4.122  -0.862 -10.963
  156   HG23  ILE  20          3HG2      ILE  20   4.121  -0.919  -9.200
  157   HD11  ILE  20          3HD1      ILE  20   6.829  -1.091 -10.569
  158   HD12  ILE  20          1HD1      ILE  20   5.745  -1.663 -11.837
  159   HD13  ILE  20          2HD1      ILE  20   7.279  -2.485 -11.552
  160    H    CYS  21           H        CYS  21   4.541  -2.133  -7.216
  161    HA   CYS  21           HA       CYS  21   1.862  -1.326  -6.300
  162    HB2  CYS  21           2HB      CYS  21   4.126  -0.811  -4.486
  163    HB3  CYS  21           1HB      CYS  21   2.520  -1.421  -4.137
  164    H    ALA  22           H        ALA  22   4.908  -0.236  -7.508
  165    HA   ALA  22           HA       ALA  22   4.304   2.550  -6.873
  166    HB1  ALA  22           1HB      ALA  22   6.636   2.592  -8.309
  167    HB2  ALA  22           2HB      ALA  22   6.722   1.031  -7.493
  168    HB3  ALA  22           3HB      ALA  22   6.519   2.507  -6.552
  169    H    GLY  23           H        GLY  23   5.318   3.943  -8.921
  170    HA2  GLY  23           2HA      GLY  23   3.669   3.103 -11.228
  171    HA3  GLY  23           1HA      GLY  23   3.820   4.776 -10.710
  172    H    THR  24           H        THR  24   6.165   2.160 -11.307
  173    HA   THR  24           HA       THR  24   7.313   3.654 -13.514
  174    HB   THR  24           HB       THR  24   9.212   2.822 -11.353
  175    HG1  THR  24           1HG      THR  24   8.915   4.660 -10.261
  176   HG21  THR  24          3HG2      THR  24   9.289   5.048 -13.374
  177   HG22  THR  24          1HG2      THR  24  10.155   3.515 -13.480
  178   HG23  THR  24          2HG2      THR  24  10.551   4.665 -12.204
  179    H    ILE  25           H        ILE  25   8.982   2.414 -14.661
  180    HA   ILE  25           HA       ILE  25   8.445  -0.467 -14.445
  181    HB   ILE  25           HB       ILE  25   9.298  -0.619 -16.758
  182   HG12  ILE  25          2HG1      ILE  25   9.095   2.161 -17.468
  183   HG13  ILE  25          1HG1      ILE  25  10.297   1.969 -16.195
  184   HG21  ILE  25          1HG2      ILE  25   7.124   1.452 -16.534
  185   HG22  ILE  25          2HG2      ILE  25   6.885  -0.264 -16.205
  186   HG23  ILE  25          3HG2      ILE  25   7.357   0.267 -17.820
  187   HD11  ILE  25          3HD1      ILE  25  11.394   0.228 -17.576
  188   HD12  ILE  25          1HD1      ILE  25  11.383   1.828 -18.316
  189   HD13  ILE  25          2HD1      ILE  25  10.250   0.594 -18.868
  190    H    ILE  26           H        ILE  26  10.384   1.013 -12.783
  191    HA   ILE  26           HA       ILE  26  12.666  -0.720 -13.282
  192    HB   ILE  26           HB       ILE  26  13.094   2.243 -12.904
  193   HG12  ILE  26          2HG1      ILE  26  13.318   0.595 -15.435
  194   HG13  ILE  26          1HG1      ILE  26  12.092   1.815 -15.107
  195   HG21  ILE  26          1HG2      ILE  26  15.043   1.360 -12.161
  196   HG22  ILE  26          2HG2      ILE  26  15.399   1.318 -13.889
  197   HG23  ILE  26          3HG2      ILE  26  14.839  -0.139 -13.069
  198   HD11  ILE  26          3HD1      ILE  26  14.831   2.115 -16.039
  199   HD12  ILE  26          1HD1      ILE  26  14.409   3.204 -14.718
  200   HD13  ILE  26          2HD1      ILE  26  13.448   3.199 -16.197
  201    H    THR  27           H        THR  27  10.796  -0.960 -11.283
  202    HA   THR  27           HA       THR  27  12.458  -0.734  -8.947
  203    HB   THR  27           HB       THR  27  10.238   0.374  -7.833
  204    HG1  THR  27           1HG      THR  27  10.572   1.687 -10.321
  205   HG21  THR  27          3HG2      THR  27  12.497   1.950  -9.041
  206   HG22  THR  27          1HG2      THR  27  12.523   1.155  -7.466
  207   HG23  THR  27          2HG2      THR  27  11.407   2.488  -7.763
  208    H    ALA  28           H        ALA  28  11.342  -1.674  -6.998
  209    HA   ALA  28           HA       ALA  28   9.433  -3.765  -7.827
  210    HB1  ALA  28           1HB      ALA  28  11.448  -4.093  -5.620
  211    HB2  ALA  28           2HB      ALA  28  11.797  -4.523  -7.295
  212    HB3  ALA  28           3HB      ALA  28  10.495  -5.337  -6.428
  213    H    CYS  29           H        CYS  29   9.062  -1.044  -6.611
  214    HA   CYS  29           HA       CYS  29   8.021   0.000  -4.862
  215    HB2  CYS  29           2HB      CYS  29   5.783  -0.890  -4.436
  216    HB3  CYS  29           1HB      CYS  29   6.164  -0.895  -6.151
  217    H    LYS  30           H        LYS  30   9.894  -0.552  -3.430
  218    HA   LYS  30           HA       LYS  30   9.581  -2.682  -1.542
  219    HB2  LYS  30           2HB      LYS  30  11.662  -0.982  -2.333
  220    HB3  LYS  30           1HB      LYS  30  11.361  -0.581  -0.647
  221    HG2  LYS  30           2HG      LYS  30  13.066  -2.282  -0.817
  222    HG3  LYS  30           1HG      LYS  30  11.622  -2.943  -0.049
  223    HD2  LYS  30           2HD      LYS  30  11.034  -3.615  -2.534
  224    HD3  LYS  30           1HD      LYS  30  12.784  -3.509  -2.732
  225    HE2  LYS  30           2HE      LYS  30  13.186  -5.274  -1.316
  226    HE3  LYS  30           1HE      LYS  30  11.689  -5.031  -0.416
  227    HZ1  LYS  30           3HZ      LYS  30  12.042  -6.970  -2.205
  228    HZ2  LYS  30           1HZ      LYS  30  11.371  -5.778  -3.202
  229    HZ3  LYS  30           2HZ      LYS  30  10.529  -6.309  -1.835
  230    H    ASN  31           H        ASN  31   8.747   0.694  -1.679
  231    HA   ASN  31           HA       ASN  31   7.040   0.414   0.629
  232    HB2  ASN  31           2HB      ASN  31   9.226   2.504   0.695
  233    HB3  ASN  31           1HB      ASN  31   8.009   2.210   1.932
  234   HD21  ASN  31          1HD2      ASN  31   8.392   0.733   3.466
  235   HD22  ASN  31          2HD2      ASN  31   9.794  -0.272   3.536
  236    H    CYS  32           H        CYS  32   5.433   2.006   0.732
  237    HA   CYS  32           HA       CYS  32   4.894   3.314  -1.763
  238    HB2  CYS  32           2HB      CYS  32   3.285   2.306   0.155
  239    HB3  CYS  32           1HB      CYS  32   3.254   4.007   0.606
  240    H    ALA  33           H        ALA  33   5.541   4.439   1.549
  241    HA   ALA  33           HA       ALA  33   5.390   7.172   1.110
  242    HB1  ALA  33           1HB      ALA  33   5.932   7.240   3.263
  243    HB2  ALA  33           2HB      ALA  33   7.534   6.580   2.935
  244    HB3  ALA  33           3HB      ALA  33   6.171   5.494   3.207
  Start of MODEL   11
    1    H1   ALA   1           1HT      ALA   1 -22.894   6.799  -3.602
    2    H2   ALA   1           2HT      ALA   1 -22.447   5.142  -3.622
    3    H3   ALA   1           3HT      ALA   1 -22.296   6.091  -5.044
    4    HA   ALA   1           HA       ALA   1 -20.704   7.493  -3.870
    5    HB1  ALA   1           2HB      ALA   1 -20.066   7.113  -1.739
    6    HB2  ALA   1           3HB      ALA   1 -20.223   5.362  -1.889
    7    HB3  ALA   1           1HB      ALA   1 -21.656   6.357  -1.626
    8    H    ASP   2           H        ASP   2 -19.034   7.231  -5.177
    9    HA   ASP   2           HA       ASP   2 -17.909   4.536  -5.521
   10    HB2  ASP   2           2HB      ASP   2 -17.409   5.286  -7.934
   11    HB3  ASP   2           1HB      ASP   2 -19.062   4.817  -7.550
   12    H    ARG   3           H        ARG   3 -17.323   7.995  -6.141
   13    HA   ARG   3           HA       ARG   3 -15.439   9.267  -6.024
   14    HB2  ARG   3           2HB      ARG   3 -14.571   7.284  -3.917
   15    HB3  ARG   3           1HB      ARG   3 -14.038   8.950  -4.088
   16    HG2  ARG   3           2HG      ARG   3 -16.861   8.973  -3.883
   17    HG3  ARG   3           1HG      ARG   3 -16.234   7.924  -2.610
   18    HD2  ARG   3           2HD      ARG   3 -15.006   9.635  -1.633
   19    HD3  ARG   3           1HD      ARG   3 -14.999  10.604  -3.106
   20    HE   ARG   3           HE       ARG   3 -17.019  10.569  -1.063
   21   HH11  ARG   3          1HH1      ARG   3 -16.363  11.247  -4.424
   22   HH12  ARG   3          2HH1      ARG   3 -17.689  12.348  -4.590
   23   HH21  ARG   3          1HH2      ARG   3 -18.764  12.015  -1.279
   24   HH22  ARG   3          2HH2      ARG   3 -19.053  12.784  -2.804
   25    H    GLY   4           H        GLY   4 -15.456   7.015  -7.896
   26    HA2  GLY   4           2HA      GLY   4 -14.013   6.021  -9.380
   27    HA3  GLY   4           1HA      GLY   4 -12.814   7.181  -8.830
   28    H    TRP   5           H        TRP   5 -11.762   4.893  -9.500
   29    HA   TRP   5           HA       TRP   5 -11.600   3.184  -7.130
   30    HB2  TRP   5           2HB      TRP   5 -11.858   2.390  -9.634
   31    HB3  TRP   5           1HB      TRP   5 -10.109   2.600  -9.656
   32    HD1  TRP   5           HD       TRP   5  -8.801   1.184  -7.561
   33    HE1  TRP   5           1HE      TRP   5  -9.283  -1.219  -6.776
   34    HE3  TRP   5           3HE      TRP   5 -13.533   0.656  -9.422
   35    HZ2  TRP   5           2HZ      TRP   5 -11.391  -3.091  -6.925
   36    HZ3  TRP   5           3HZ      TRP   5 -14.712  -1.474  -9.058
   37    HH2  TRP   5           HH       TRP   5 -13.662  -3.307  -7.835
   38    H    ILE   6           H        ILE   6  -9.644   2.706  -6.109
   39    HA   ILE   6           HA       ILE   6  -7.348   4.396  -6.822
   40    HB   ILE   6           HB       ILE   6  -8.536   5.479  -4.961
   41   HG12  ILE   6          2HG1      ILE   6  -6.112   4.364  -3.643
   42   HG13  ILE   6          1HG1      ILE   6  -5.890   5.151  -5.202
   43   HG21  ILE   6          1HG2      ILE   6  -7.818   3.376  -3.026
   44   HG22  ILE   6          2HG2      ILE   6  -9.164   3.007  -4.104
   45   HG23  ILE   6          3HG2      ILE   6  -9.223   4.441  -3.080
   46   HD11  ILE   6          3HD1      ILE   6  -5.583   6.924  -3.818
   47   HD12  ILE   6          1HD1      ILE   6  -6.683   6.300  -2.589
   48   HD13  ILE   6          2HD1      ILE   6  -7.327   7.040  -4.056
   49    H    LYS   7           H        LYS   7  -5.359   3.477  -6.543
   50    HA   LYS   7           HA       LYS   7  -5.281   0.766  -5.397
   51    HB2  LYS   7           2HB      LYS   7  -3.742   0.073  -7.153
   52    HB3  LYS   7           1HB      LYS   7  -5.251   0.642  -7.855
   53    HG2  LYS   7           2HG      LYS   7  -3.624   2.897  -7.745
   54    HG3  LYS   7           1HG      LYS   7  -2.558   1.589  -8.261
   55    HD2  LYS   7           2HD      LYS   7  -3.592   1.364 -10.255
   56    HD3  LYS   7           1HD      LYS   7  -5.193   1.657  -9.572
   57    HE2  LYS   7           2HE      LYS   7  -5.022   3.939  -9.800
   58    HE3  LYS   7           1HE      LYS   7  -3.260   3.920  -9.739
   59    HZ1  LYS   7           3HZ      LYS   7  -3.766   4.392 -11.945
   60    HZ2  LYS   7           1HZ      LYS   7  -5.027   3.265 -12.014
   61    HZ3  LYS   7           2HZ      LYS   7  -3.420   2.736 -11.971
   62    H    DBB   8           H        DBB   8  -4.157   0.997  -3.566
   63    HA   DBB   8           HA       DBB   8  -1.410   1.734  -3.671
   64    HB3  DBB   8           HB       DBB   8  -3.089   1.296  -1.189
   65    HG1  DBB   8          3HG2      DBB   8  -2.655  -1.001  -1.281
   66    HG2  DBB   8          1HG2      DBB   8  -1.453  -0.816  -2.560
   67    HG3  DBB   8          2HG2      DBB   8  -3.165  -0.597  -2.918
   68    H    LEU   9           H        LEU   9  -3.439   3.037  -1.082
   69    HA   LEU   9           HA       LEU   9  -3.058   5.741  -2.078
   70    HB2  LEU   9           2HB      LEU   9  -4.452   6.349  -0.048
   71    HB3  LEU   9           1HB      LEU   9  -5.238   5.429  -1.312
   72    HG   LEU   9           HG       LEU   9  -5.691   4.808   1.149
   73   HD11  LEU   9          1HD1      LEU   9  -5.752   3.375  -1.222
   74   HD12  LEU   9          2HD1      LEU   9  -6.565   2.964   0.288
   75   HD13  LEU   9          3HD1      LEU   9  -4.975   2.289  -0.068
   76   HD21  LEU   9          3HD2      LEU   9  -3.009   3.482   0.762
   77   HD22  LEU   9          1HD2      LEU   9  -4.134   3.142   2.076
   78   HD23  LEU   9          2HD2      LEU   9  -3.402   4.740   1.933
   79    H    DBB  10           H        DBB  10  -0.737   4.243  -1.088
   80    HA   DBB  10           HA       DBB  10   0.002   6.061   1.105
   81    HB3  DBB  10           HB       DBB  10   1.490   6.765  -0.469
   82    HG1  DBB  10          3HG2      DBB  10   2.992   5.728   1.163
   83    HG2  DBB  10          1HG2      DBB  10   3.644   5.623  -0.472
   84    HG3  DBB  10          2HG2      DBB  10   2.907   4.207   0.278
   85    H    LYS  11           H        LYS  11   1.623   5.277   2.626
   86    HA   LYS  11           HA       LYS  11   2.387   2.593   2.853
   87    HB2  LYS  11           2HB      LYS  11   2.022   4.564   5.113
   88    HB3  LYS  11           1HB      LYS  11   3.039   3.129   5.121
   89    HG2  LYS  11           2HG      LYS  11   4.696   4.126   3.961
   90    HG3  LYS  11           1HG      LYS  11   3.584   5.096   2.993
   91    HD2  LYS  11           2HD      LYS  11   3.146   6.368   5.203
   92    HD3  LYS  11           1HD      LYS  11   4.653   5.625   5.743
   93    HE2  LYS  11           2HE      LYS  11   5.929   6.784   4.214
   94    HE3  LYS  11           1HE      LYS  11   4.576   7.024   3.108
   95    HZ1  LYS  11           3HZ      LYS  11   3.638   8.507   4.931
   96    HZ2  LYS  11           1HZ      LYS  11   4.951   9.106   4.047
   97    HZ3  LYS  11           2HZ      LYS  11   5.189   8.486   5.602
   98    H    ASP  12           H        ASP  12  -0.643   4.070   3.438
   99    HA   ASP  12           HA       ASP  12  -1.545   2.083   5.337
  100    HB2  ASP  12           2HB      ASP  12  -2.882   4.406   3.962
  101    HB3  ASP  12           1HB      ASP  12  -3.786   3.260   4.948
  102    H    CYS  13           H        CYS  13  -0.820   1.668   2.278
  103    HA   CYS  13           HA       CYS  13  -2.964   0.846   0.804
  104    HB2  CYS  13           2HB      CYS  13  -0.159  -0.174   1.033
  105    HB3  CYS  13           1HB      CYS  13  -1.304  -1.029   0.009
  106    HA   PRO  14           HA       PRO  14  -4.458  -2.325   3.711
  107    HB2  PRO  14           2HB      PRO  14  -6.946  -2.135   2.194
  108    HB3  PRO  14           1HB      PRO  14  -6.648  -1.770   3.894
  109    HG2  PRO  14           2HG      PRO  14  -7.189   0.150   2.064
  110    HG3  PRO  14           1HG      PRO  14  -6.149   0.433   3.471
  111    HD2  PRO  14           2HD      PRO  14  -5.382  -0.115   0.626
  112    HD3  PRO  14           1HD      PRO  14  -4.691   1.053   1.773
  113    H    ASN  15           H        ASN  15  -4.015  -2.316   0.346
  114    HA   ASN  15           HA       ASN  15  -5.021  -5.019  -0.038
  115    HB2  ASN  15           2HB      ASN  15  -4.973  -2.893  -1.708
  116    HB3  ASN  15           1HB      ASN  15  -3.492  -3.706  -2.202
  117   HD21  ASN  15          1HD2      ASN  15  -4.552  -4.027  -4.231
  118   HD22  ASN  15          2HD2      ASN  15  -5.662  -5.337  -4.429
  119    H    VAL  16           H        VAL  16  -1.918  -3.294  -0.324
  120    HA   VAL  16           HA       VAL  16  -0.539  -5.883  -0.337
  121    HB   VAL  16           HB       VAL  16   1.493  -4.454  -0.902
  122   HG11  VAL  16          1HG1      VAL  16   1.022  -4.512  -3.211
  123   HG12  VAL  16          2HG1      VAL  16  -0.708  -4.295  -2.944
  124   HG13  VAL  16          3HG1      VAL  16   0.070  -5.815  -2.500
  125   HG21  VAL  16          3HG2      VAL  16  -0.464  -2.375  -1.785
  126   HG22  VAL  16          1HG2      VAL  16   1.273  -2.238  -1.520
  127   HG23  VAL  16          2HG2      VAL  16   0.177  -2.339  -0.142
  128    H    ILE  17           H        ILE  17   0.391  -6.601   1.437
  129    HA   ILE  17           HA       ILE  17   1.327  -4.678   3.455
  130    HB   ILE  17           HB       ILE  17   0.358  -7.234   4.546
  131   HG12  ILE  17          2HG1      ILE  17  -1.628  -5.191   3.520
  132   HG13  ILE  17          1HG1      ILE  17  -1.399  -6.809   2.864
  133   HG21  ILE  17          1HG2      ILE  17   0.014  -6.004   6.421
  134   HG22  ILE  17          2HG2      ILE  17  -0.553  -4.593   5.528
  135   HG23  ILE  17          3HG2      ILE  17   1.174  -4.941   5.622
  136   HD11  ILE  17          3HD1      ILE  17  -2.487  -7.807   4.593
  137   HD12  ILE  17          1HD1      ILE  17  -3.314  -6.249   4.594
  138   HD13  ILE  17          2HD1      ILE  17  -2.021  -6.562   5.753
  139    H    SER  18           H        SER  18   2.276  -6.636   5.273
  140    HA   SER  18           HA       SER  18   3.989  -8.088   5.678
  141    HB2  SER  18           2HB      SER  18   2.999  -9.089   3.352
  142    HB3  SER  18           1HB      SER  18   4.638  -8.670   2.855
  143    HG   SER  18           HG       SER  18   3.883 -10.796   4.182
  144    H    SER  19           H        SER  19   6.396  -8.504   4.569
  145    HA   SER  19           HA       SER  19   7.760  -6.095   5.044
  146    HB2  SER  19           2HB      SER  19   9.772  -7.309   4.316
  147    HB3  SER  19           1HB      SER  19   8.792  -8.293   5.403
  148    HG   SER  19           HG       SER  19   9.657  -9.114   3.188
  149    H    ILE  20           H        ILE  20   6.639  -7.597   2.092
  150    HA   ILE  20           HA       ILE  20   7.256  -5.135   0.662
  151    HB   ILE  20           HB       ILE  20   7.865  -7.531  -0.935
  152   HG12  ILE  20          2HG1      ILE  20   9.813  -6.624   1.200
  153   HG13  ILE  20          1HG1      ILE  20   8.902  -8.131   1.250
  154   HG21  ILE  20          1HG2      ILE  20   9.939  -5.786  -1.191
  155   HG22  ILE  20          2HG2      ILE  20   8.618  -4.711  -0.733
  156   HG23  ILE  20          3HG2      ILE  20   8.459  -5.747  -2.152
  157   HD11  ILE  20          3HD1      ILE  20  10.524  -7.641  -1.167
  158   HD12  ILE  20          1HD1      ILE  20  10.220  -9.135  -0.283
  159   HD13  ILE  20          2HD1      ILE  20  11.393  -7.971   0.331
  160    H    CYS  21           H        CYS  21   6.543  -5.799  -1.846
  161    HA   CYS  21           HA       CYS  21   3.773  -6.729  -1.552
  162    HB2  CYS  21           2HB      CYS  21   4.809  -4.754  -3.586
  163    HB3  CYS  21           1HB      CYS  21   3.130  -5.191  -3.296
  164    H    ALA  22           H        ALA  22   6.589  -6.657  -3.641
  165    HA   ALA  22           HA       ALA  22   6.309  -9.274  -4.565
  166    HB1  ALA  22           1HB      ALA  22   5.112  -9.219  -6.476
  167    HB2  ALA  22           2HB      ALA  22   5.666  -7.600  -6.903
  168    HB3  ALA  22           3HB      ALA  22   4.367  -7.805  -5.729
  169    H    GLY  23           H        GLY  23   7.388  -9.129  -7.116
  170    HA2  GLY  23           2HA      GLY  23  10.101  -8.686  -6.594
  171    HA3  GLY  23           1HA      GLY  23   9.398  -8.876  -8.193
  172    H    THR  24           H        THR  24  11.183  -6.860  -6.336
  173    HA   THR  24           HA       THR  24  10.895  -4.684  -8.181
  174    HB   THR  24           HB       THR  24  10.534  -3.643  -5.461
  175    HG1  THR  24           1HG      THR  24   9.084  -5.218  -5.125
  176   HG21  THR  24          3HG2      THR  24   8.955  -3.147  -7.970
  177   HG22  THR  24          1HG2      THR  24  10.402  -2.257  -7.499
  178   HG23  THR  24          2HG2      THR  24   8.952  -2.177  -6.498
  179    H    ILE  25           H        ILE  25  12.072  -2.682  -6.537
  180    HA   ILE  25           HA       ILE  25  14.772  -3.198  -6.850
  181    HB   ILE  25           HB       ILE  25  13.584  -1.305  -4.818
  182   HG12  ILE  25          2HG1      ILE  25  14.211  -0.884  -7.750
  183   HG13  ILE  25          1HG1      ILE  25  12.609  -0.897  -7.019
  184   HG21  ILE  25          1HG2      ILE  25  16.208  -1.099  -6.279
  185   HG22  ILE  25          2HG2      ILE  25  16.041  -1.805  -4.672
  186   HG23  ILE  25          3HG2      ILE  25  15.635  -0.109  -4.937
  187   HD11  ILE  25          3HD1      ILE  25  14.392   1.031  -5.781
  188   HD12  ILE  25          1HD1      ILE  25  12.761   1.236  -6.420
  189   HD13  ILE  25          2HD1      ILE  25  14.149   1.317  -7.504
  190    H    ILE  26           H        ILE  26  13.123  -2.972  -3.685
  191    HA   ILE  26           HA       ILE  26  14.605  -5.281  -2.738
  192    HB   ILE  26           HB       ILE  26  15.111  -3.747  -0.597
  193   HG12  ILE  26          2HG1      ILE  26  15.960  -1.809  -2.675
  194   HG13  ILE  26          1HG1      ILE  26  14.248  -1.801  -2.265
  195   HG21  ILE  26          1HG2      ILE  26  16.751  -4.267  -3.049
  196   HG22  ILE  26          2HG2      ILE  26  16.820  -5.058  -1.474
  197   HG23  ILE  26          3HG2      ILE  26  17.427  -3.412  -1.661
  198   HD11  ILE  26          3HD1      ILE  26  14.877  -0.360  -0.680
  199   HD12  ILE  26          1HD1      ILE  26  16.561  -0.882  -0.729
  200   HD13  ILE  26          2HD1      ILE  26  15.377  -1.805   0.197
  201    H    THR  27           H        THR  27  13.131  -2.681  -0.831
  202    HA   THR  27           HA       THR  27  11.032  -4.587  -0.032
  203    HB   THR  27           HB       THR  27  12.164  -2.378   1.685
  204    HG1  THR  27           1HG      THR  27  13.756  -3.952   1.265
  205   HG21  THR  27          3HG2      THR  27   9.933  -3.165   2.331
  206   HG22  THR  27          1HG2      THR  27  11.165  -3.559   3.530
  207   HG23  THR  27          2HG2      THR  27  10.562  -4.808   2.440
  208    H    ALA  28           H        ALA  28  11.740  -1.421  -1.207
  209    HA   ALA  28           HA       ALA  28   9.549   0.068  -0.461
  210    HB1  ALA  28           1HB      ALA  28   9.982   1.468  -2.311
  211    HB2  ALA  28           2HB      ALA  28  10.699   0.150  -3.238
  212    HB3  ALA  28           3HB      ALA  28  11.543   0.801  -1.833
  213    H    CYS  29           H        CYS  29   9.772  -2.366  -3.000
  214    HA   CYS  29           HA       CYS  29   8.226  -3.453  -4.229
  215    HB2  CYS  29           2HB      CYS  29   6.444  -4.245  -3.078
  216    HB3  CYS  29           1HB      CYS  29   7.266  -3.499  -1.721
  217    H    LYS  30           H        LYS  30   6.925  -3.098  -5.968
  218    HA   LYS  30           HA       LYS  30   6.832  -0.638  -7.153
  219    HB2  LYS  30           2HB      LYS  30   6.384  -2.829  -8.262
  220    HB3  LYS  30           1HB      LYS  30   4.771  -2.802  -7.566
  221    HG2  LYS  30           2HG      LYS  30   4.380  -0.644  -8.766
  222    HG3  LYS  30           1HG      LYS  30   5.926  -0.894  -9.583
  223    HD2  LYS  30           2HD      LYS  30   4.673  -1.943 -11.130
  224    HD3  LYS  30           1HD      LYS  30   4.725  -3.292  -9.995
  225    HE2  LYS  30           2HE      LYS  30   2.628  -2.275  -8.956
  226    HE3  LYS  30           1HE      LYS  30   2.536  -1.274 -10.405
  227    HZ1  LYS  30           3HZ      LYS  30   2.796  -3.624 -11.542
  228    HZ2  LYS  30           1HZ      LYS  30   1.284  -3.024 -11.075
  229    HZ3  LYS  30           2HZ      LYS  30   2.089  -4.144 -10.096
  230    H    ASN  31           H        ASN  31   4.545  -1.977  -4.881
  231    HA   ASN  31           HA       ASN  31   2.562   0.062  -5.306
  232    HB2  ASN  31           2HB      ASN  31   2.738  -1.682  -2.861
  233    HB3  ASN  31           1HB      ASN  31   1.306  -0.990  -3.614
  234   HD21  ASN  31          1HD2      ASN  31   0.143  -2.291  -4.827
  235   HD22  ASN  31          2HD2      ASN  31   0.683  -3.766  -5.547
  236    H    CYS  32           H        CYS  32   1.805   1.430  -3.490
  237    HA   CYS  32           HA       CYS  32   3.595   3.347  -2.758
  238    HB2  CYS  32           2HB      CYS  32   0.904   2.726  -2.196
  239    HB3  CYS  32           1HB      CYS  32   1.666   3.080  -0.651
  240    H    ALA  33           H        ALA  33   2.568   0.617  -0.710
  241    HA   ALA  33           HA       ALA  33   5.079   0.104   0.377
  242    HB1  ALA  33           1HB      ALA  33   5.400   1.568   2.014
  243    HB2  ALA  33           2HB      ALA  33   3.818   1.204   2.705
  244    HB3  ALA  33           3HB      ALA  33   3.974   2.447   1.462
  Start of MODEL   12
    1    H1   ALA   1           1HT      ALA   1 -21.499   8.395   2.448
    2    H2   ALA   1           2HT      ALA   1 -21.601   9.237   3.940
    3    H3   ALA   1           3HT      ALA   1 -20.291   9.533   2.873
    4    HA   ALA   1           HA       ALA   1 -23.082  10.349   2.688
    5    HB1  ALA   1           2HB      ALA   1 -21.620  12.383   1.754
    6    HB2  ALA   1           3HB      ALA   1 -20.408  11.607   2.773
    7    HB3  ALA   1           1HB      ALA   1 -21.938  12.138   3.471
    8    H    ASP   2           H        ASP   2 -20.230  10.668   0.584
    9    HA   ASP   2           HA       ASP   2 -21.968  10.042  -1.707
   10    HB2  ASP   2           2HB      ASP   2 -20.967  12.316  -1.688
   11    HB3  ASP   2           1HB      ASP   2 -19.365  11.584  -1.694
   12    H    ARG   3           H        ARG   3 -21.433   8.439  -3.105
   13    HA   ARG   3           HA       ARG   3 -19.744   6.369  -2.266
   14    HB2  ARG   3           2HB      ARG   3 -21.225   7.012  -4.765
   15    HB3  ARG   3           1HB      ARG   3 -19.969   5.786  -4.861
   16    HG2  ARG   3           2HG      ARG   3 -21.072   4.534  -3.062
   17    HG3  ARG   3           1HG      ARG   3 -22.348   5.752  -3.017
   18    HD2  ARG   3           2HD      ARG   3 -21.637   3.986  -5.356
   19    HD3  ARG   3           1HD      ARG   3 -23.056   3.828  -4.320
   20    HE   ARG   3           HE       ARG   3 -23.284   6.341  -5.275
   21   HH11  ARG   3          1HH1      ARG   3 -22.771   3.255  -6.823
   22   HH12  ARG   3          2HH1      ARG   3 -23.585   3.711  -8.282
   23   HH21  ARG   3          1HH2      ARG   3 -24.353   6.942  -7.195
   24   HH22  ARG   3          2HH2      ARG   3 -24.482   5.804  -8.494
   25    H    GLY   4           H        GLY   4 -17.604   6.527  -2.071
   26    HA2  GLY   4           2HA      GLY   4 -15.878   6.782  -4.240
   27    HA3  GLY   4           1HA      GLY   4 -16.005   8.372  -3.506
   28    H    TRP   5           H        TRP   5 -13.883   6.127  -3.695
   29    HA   TRP   5           HA       TRP   5 -12.856   6.567  -1.019
   30    HB2  TRP   5           2HB      TRP   5 -14.280   4.291  -1.350
   31    HB3  TRP   5           1HB      TRP   5 -12.689   3.731  -1.849
   32    HD1  TRP   5           HD       TRP   5 -10.797   3.571   0.018
   33    HE1  TRP   5           1HE      TRP   5 -10.897   3.581   2.589
   34    HE3  TRP   5           3HE      TRP   5 -15.565   5.311   0.640
   35    HZ2  TRP   5           2HZ      TRP   5 -12.751   4.238   4.614
   36    HZ3  TRP   5           3HZ      TRP   5 -16.425   5.601   2.927
   37    HH2  TRP   5           HH       TRP   5 -15.047   5.074   4.872
   38    H    ILE   6           H        ILE   6 -10.600   5.594  -0.822
   39    HA   ILE   6           HA       ILE   6  -9.241   5.605  -3.434
   40    HB   ILE   6           HB       ILE   6  -8.919   7.783  -2.346
   41   HG12  ILE   6          2HG1      ILE   6  -6.284   6.383  -2.081
   42   HG13  ILE   6          1HG1      ILE   6  -7.081   6.429  -3.650
   43   HG21  ILE   6          1HG2      ILE   6  -8.327   8.079  -0.197
   44   HG22  ILE   6          2HG2      ILE   6  -7.200   6.723  -0.211
   45   HG23  ILE   6          3HG2      ILE   6  -8.927   6.432  -0.001
   46   HD11  ILE   6          3HD1      ILE   6  -5.521   8.433  -2.365
   47   HD12  ILE   6          1HD1      ILE   6  -7.153   9.048  -2.630
   48   HD13  ILE   6          2HD1      ILE   6  -6.211   8.428  -3.987
   49    H    LYS   7           H        LYS   7  -7.892   3.959  -3.759
   50    HA   LYS   7           HA       LYS   7  -6.897   2.468  -1.423
   51    HB2  LYS   7           2HB      LYS   7  -8.337   1.479  -3.835
   52    HB3  LYS   7           1HB      LYS   7  -7.037   0.482  -3.198
   53    HG2  LYS   7           2HG      LYS   7  -8.662   1.306  -1.022
   54    HG3  LYS   7           1HG      LYS   7  -9.713   0.688  -2.298
   55    HD2  LYS   7           2HD      LYS   7  -8.897  -1.429  -2.132
   56    HD3  LYS   7           1HD      LYS   7  -7.280  -0.884  -1.681
   57    HE2  LYS   7           2HE      LYS   7  -8.047  -0.372   0.562
   58    HE3  LYS   7           1HE      LYS   7  -9.697  -0.810   0.124
   59    HZ1  LYS   7           3HZ      LYS   7  -8.734  -3.074  -0.424
   60    HZ2  LYS   7           1HZ      LYS   7  -8.839  -2.669   1.215
   61    HZ3  LYS   7           2HZ      LYS   7  -7.350  -2.584   0.417
   62    H    DBB   8           H        DBB   8  -4.785   1.846  -1.489
   63    HA   DBB   8           HA       DBB   8  -3.296   1.867  -3.952
   64    HB3  DBB   8           HB       DBB   8  -2.753   0.181  -2.307
   65    HG1  DBB   8          3HG2      DBB   8  -0.368   0.506  -1.967
   66    HG2  DBB   8          1HG2      DBB   8  -0.531   2.222  -2.342
   67    HG3  DBB   8          2HG2      DBB   8  -0.827   1.015  -3.591
   68    H    LEU   9           H        LEU   9  -3.347   3.815  -0.980
   69    HA   LEU   9           HA       LEU   9  -2.292   6.062  -2.507
   70    HB2  LEU   9           2HB      LEU   9  -3.018   7.442  -0.660
   71    HB3  LEU   9           1HB      LEU   9  -4.317   6.388  -1.183
   72    HG   LEU   9           HG       LEU   9  -2.708   5.273   0.999
   73   HD11  LEU   9          1HD1      LEU   9  -2.551   7.539   1.740
   74   HD12  LEU   9          2HD1      LEU   9  -3.790   6.737   2.707
   75   HD13  LEU   9          3HD1      LEU   9  -4.259   7.825   1.400
   76   HD21  LEU   9          3HD2      LEU   9  -4.668   4.119   0.495
   77   HD22  LEU   9          1HD2      LEU   9  -5.611   5.599   0.319
   78   HD23  LEU   9          2HD2      LEU   9  -5.107   5.062   1.921
   79    H    DBB  10           H        DBB  10  -0.967   3.666  -0.596
   80    HA   DBB  10           HA       DBB  10   1.136   5.466   0.393
   81    HB3  DBB  10           HB       DBB  10   2.877   4.193  -0.499
   82    HG1  DBB  10          3HG2      DBB  10   2.621   1.989  -1.552
   83    HG2  DBB  10          1HG2      DBB  10   0.922   1.969  -1.080
   84    HG3  DBB  10          2HG2      DBB  10   2.180   1.943   0.154
   85    H    LYS  11           H        LYS  11   1.296   5.326   2.495
   86    HA   LYS  11           HA       LYS  11   1.918   3.063   3.947
   87    HB2  LYS  11           2HB      LYS  11   0.518   5.539   4.964
   88    HB3  LYS  11           1HB      LYS  11   1.394   4.374   5.948
   89    HG2  LYS  11           2HG      LYS  11   3.393   5.236   5.419
   90    HG3  LYS  11           1HG      LYS  11   2.943   5.515   3.735
   91    HD2  LYS  11           2HD      LYS  11   1.642   7.219   5.782
   92    HD3  LYS  11           1HD      LYS  11   3.357   7.503   5.471
   93    HE2  LYS  11           2HE      LYS  11   1.655   7.204   3.083
   94    HE3  LYS  11           1HE      LYS  11   1.355   8.644   4.058
   95    HZ1  LYS  11           3HZ      LYS  11   4.138   8.020   3.457
   96    HZ2  LYS  11           1HZ      LYS  11   3.358   9.519   3.544
   97    HZ3  LYS  11           2HZ      LYS  11   3.189   8.556   2.164
   98    H    ASP  12           H        ASP  12  -1.187   4.064   2.831
   99    HA   ASP  12           HA       ASP  12  -2.612   2.430   4.766
  100    HB2  ASP  12           2HB      ASP  12  -3.330   4.477   2.769
  101    HB3  ASP  12           1HB      ASP  12  -4.510   3.186   2.969
  102    H    CYS  13           H        CYS  13  -0.740   1.195   2.812
  103    HA   CYS  13           HA       CYS  13  -2.613  -0.790   1.769
  104    HB2  CYS  13           2HB      CYS  13  -0.336   0.232   0.079
  105    HB3  CYS  13           1HB      CYS  13  -1.661  -0.822  -0.409
  106    HA   PRO  14           HA       PRO  14   0.556  -3.098   4.042
  107    HB2  PRO  14           2HB      PRO  14  -1.237  -5.348   3.363
  108    HB3  PRO  14           1HB      PRO  14  -0.640  -4.822   4.939
  109    HG2  PRO  14           2HG      PRO  14  -3.182  -4.421   4.220
  110    HG3  PRO  14           1HG      PRO  14  -2.295  -3.221   5.180
  111    HD2  PRO  14           2HD      PRO  14  -2.933  -3.212   2.255
  112    HD3  PRO  14           1HD      PRO  14  -2.970  -1.873   3.421
  113    H    ASN  15           H        ASN  15  -0.511  -3.404   0.799
  114    HA   ASN  15           HA       ASN  15   1.268  -5.578   0.144
  115    HB2  ASN  15           2HB      ASN  15  -1.062  -4.819  -0.935
  116    HB3  ASN  15           1HB      ASN  15   0.018  -3.899  -1.978
  117   HD21  ASN  15          1HD2      ASN  15  -1.453  -5.704  -3.196
  118   HD22  ASN  15          2HD2      ASN  15  -0.535  -7.102  -3.631
  119    H    VAL  16           H        VAL  16   1.845  -4.189  -2.504
  120    HA   VAL  16           HA       VAL  16   3.670  -3.186  -3.432
  121    HB   VAL  16           HB       VAL  16   3.288  -1.159  -1.225
  122   HG11  VAL  16          1HG1      VAL  16   4.006   0.247  -3.404
  123   HG12  VAL  16          2HG1      VAL  16   4.873  -1.257  -3.709
  124   HG13  VAL  16          3HG1      VAL  16   5.155  -0.365  -2.214
  125   HG21  VAL  16          3HG2      VAL  16   2.088  -0.643  -3.855
  126   HG22  VAL  16          1HG2      VAL  16   1.459  -0.329  -2.238
  127   HG23  VAL  16          2HG2      VAL  16   1.330  -1.943  -2.936
  128    H    ILE  17           H        ILE  17   4.937  -5.055  -2.578
  129    HA   ILE  17           HA       ILE  17   7.016  -4.103  -0.733
  130    HB   ILE  17           HB       ILE  17   7.240  -6.604  -0.124
  131   HG12  ILE  17          2HG1      ILE  17   4.308  -6.794  -0.497
  132   HG13  ILE  17          1HG1      ILE  17   5.288  -6.967  -1.949
  133   HG21  ILE  17          1HG2      ILE  17   4.855  -5.092   0.919
  134   HG22  ILE  17          2HG2      ILE  17   6.525  -4.761   1.379
  135   HG23  ILE  17          3HG2      ILE  17   5.796  -6.318   1.768
  136   HD11  ILE  17          3HD1      ILE  17   6.497  -8.570   0.010
  137   HD12  ILE  17          1HD1      ILE  17   5.600  -9.091  -1.416
  138   HD13  ILE  17          2HD1      ILE  17   4.762  -8.865   0.120
  139    H    SER  18           H        SER  18   9.008  -4.225  -1.518
  140    HA   SER  18           HA       SER  18  10.786  -4.713  -2.850
  141    HB2  SER  18           2HB      SER  18  10.206  -7.057  -2.047
  142    HB3  SER  18           1HB      SER  18   9.373  -7.279  -3.586
  143    HG   SER  18           HG       SER  18  12.071  -6.444  -3.426
  144    H    SER  19           H        SER  19   8.263  -3.458  -3.914
  145    HA   SER  19           HA       SER  19   8.935  -3.751  -6.755
  146    HB2  SER  19           2HB      SER  19   6.231  -3.154  -6.761
  147    HB3  SER  19           1HB      SER  19   6.946  -4.730  -7.094
  148    HG   SER  19           HG       SER  19   5.535  -3.865  -4.905
  149    H    ILE  20           H        ILE  20   9.509  -1.774  -4.578
  150    HA   ILE  20           HA       ILE  20   9.744   0.457  -4.338
  151    HB   ILE  20           HB       ILE  20   9.979   0.021  -7.034
  152   HG12  ILE  20          2HG1      ILE  20  10.323   2.510  -5.376
  153   HG13  ILE  20          1HG1      ILE  20  11.540   1.311  -5.792
  154   HG21  ILE  20          1HG2      ILE  20   8.748   1.523  -8.302
  155   HG22  ILE  20          2HG2      ILE  20   8.247   2.456  -6.895
  156   HG23  ILE  20          3HG2      ILE  20   7.547   0.867  -7.194
  157   HD11  ILE  20          3HD1      ILE  20  10.715   3.681  -7.224
  158   HD12  ILE  20          1HD1      ILE  20  10.659   2.242  -8.243
  159   HD13  ILE  20          2HD1      ILE  20  12.156   2.681  -7.420
  160    H    CYS  21           H        CYS  21   8.564   1.943  -3.355
  161    HA   CYS  21           HA       CYS  21   5.719   1.601  -3.244
  162    HB2  CYS  21           2HB      CYS  21   6.782   2.058  -1.184
  163    HB3  CYS  21           1HB      CYS  21   7.654   3.429  -1.844
  164    H    ALA  22           H        ALA  22   7.668   3.219  -5.364
  165    HA   ALA  22           HA       ALA  22   7.161   4.585  -7.119
  166    HB1  ALA  22           1HB      ALA  22   4.407   5.075  -6.060
  167    HB2  ALA  22           2HB      ALA  22   4.825   3.527  -6.792
  168    HB3  ALA  22           3HB      ALA  22   4.968   5.013  -7.730
  169    H    GLY  23           H        GLY  23   8.550   6.207  -6.572
  170    HA2  GLY  23           2HA      GLY  23   7.742   8.761  -6.254
  171    HA3  GLY  23           1HA      GLY  23   7.821   8.188  -4.595
  172    H    THR  24           H        THR  24   9.754   8.417  -7.566
  173    HA   THR  24           HA       THR  24  11.966   8.818  -7.914
  174    HB   THR  24           HB       THR  24  12.222   9.870  -5.118
  175    HG1  THR  24           1HG      THR  24  10.588  11.119  -5.480
  176   HG21  THR  24          3HG2      THR  24  14.178  10.014  -6.553
  177   HG22  THR  24          1HG2      THR  24  13.537  11.614  -6.182
  178   HG23  THR  24          2HG2      THR  24  13.235  10.888  -7.760
  179    H    ILE  25           H        ILE  25  14.138   8.125  -7.331
  180    HA   ILE  25           HA       ILE  25  14.055   5.667  -5.733
  181    HB   ILE  25           HB       ILE  25  16.301   6.494  -7.558
  182   HG12  ILE  25          2HG1      ILE  25  14.207   6.504  -8.856
  183   HG13  ILE  25          1HG1      ILE  25  15.252   5.168  -9.331
  184   HG21  ILE  25          1HG2      ILE  25  17.102   4.383  -7.307
  185   HG22  ILE  25          2HG2      ILE  25  15.499   3.679  -7.096
  186   HG23  ILE  25          3HG2      ILE  25  16.269   4.535  -5.760
  187   HD11  ILE  25          3HD1      ILE  25  13.760   3.629  -8.704
  188   HD12  ILE  25          1HD1      ILE  25  12.606   4.960  -8.777
  189   HD13  ILE  25          2HD1      ILE  25  13.327   4.502  -7.234
  190    H    ILE  26           H        ILE  26  14.171   8.168  -4.388
  191    HA   ILE  26           HA       ILE  26  16.899   8.645  -3.589
  192    HB   ILE  26           HB       ILE  26  15.254  10.481  -3.651
  193   HG12  ILE  26          2HG1      ILE  26  16.048  10.124  -0.778
  194   HG13  ILE  26          1HG1      ILE  26  17.279  10.307  -2.022
  195   HG21  ILE  26          1HG2      ILE  26  13.488  10.662  -2.035
  196   HG22  ILE  26          2HG2      ILE  26  13.986   9.159  -1.259
  197   HG23  ILE  26          3HG2      ILE  26  13.316   9.129  -2.890
  198   HD11  ILE  26          3HD1      ILE  26  15.276  12.329  -2.328
  199   HD12  ILE  26          1HD1      ILE  26  17.006  12.499  -2.028
  200   HD13  ILE  26          2HD1      ILE  26  15.891  12.321  -0.674
  201    H    THR  27           H        THR  27  14.011   7.197  -2.118
  202    HA   THR  27           HA       THR  27  15.710   5.583  -0.407
  203    HB   THR  27           HB       THR  27  13.619   7.451   0.731
  204    HG1  THR  27           1HG      THR  27  16.439   7.364   0.903
  205   HG21  THR  27          3HG2      THR  27  15.347   5.451   2.167
  206   HG22  THR  27          1HG2      THR  27  13.603   5.338   1.939
  207   HG23  THR  27          2HG2      THR  27  14.282   6.637   2.920
  208    H    ALA  28           H        ALA  28  12.261   6.425  -0.195
  209    HA   ALA  28           HA       ALA  28  11.635   3.636  -0.912
  210    HB1  ALA  28           1HB      ALA  28  10.712   5.309   1.340
  211    HB2  ALA  28           2HB      ALA  28  10.952   3.564   1.243
  212    HB3  ALA  28           3HB      ALA  28   9.499   4.292   0.561
  213    H    CYS  29           H        CYS  29   9.778   6.634  -0.467
  214    HA   CYS  29           HA       CYS  29   9.161   6.955  -3.205
  215    HB2  CYS  29           2HB      CYS  29   6.868   6.251  -3.235
  216    HB3  CYS  29           1HB      CYS  29   7.837   4.909  -2.670
  217    H    LYS  30           H        LYS  30   8.986   9.095  -3.347
  218    HA   LYS  30           HA       LYS  30   8.534  10.788  -1.148
  219    HB2  LYS  30           2HB      LYS  30   8.993  11.084  -4.016
  220    HB3  LYS  30           1HB      LYS  30   7.926  12.323  -3.369
  221    HG2  LYS  30           2HG      LYS  30   9.560  13.099  -1.869
  222    HG3  LYS  30           1HG      LYS  30  10.565  11.668  -2.101
  223    HD2  LYS  30           2HD      LYS  30  11.434  12.428  -4.061
  224    HD3  LYS  30           1HD      LYS  30   9.961  13.294  -4.503
  225    HE2  LYS  30           2HE      LYS  30  10.482  15.097  -3.046
  226    HE3  LYS  30           1HE      LYS  30  11.784  14.187  -2.279
  227    HZ1  LYS  30           3HZ      LYS  30  12.807  15.683  -3.751
  228    HZ2  LYS  30           1HZ      LYS  30  11.728  15.338  -5.008
  229    HZ3  LYS  30           2HZ      LYS  30  12.873  14.185  -4.536
  230    H    ASN  31           H        ASN  31   6.377   9.263  -3.396
  231    HA   ASN  31           HA       ASN  31   4.098   9.894  -1.827
  232    HB2  ASN  31           2HB      ASN  31   2.876  11.152  -3.644
  233    HB3  ASN  31           1HB      ASN  31   4.165  12.053  -2.850
  234   HD21  ASN  31          1HD2      ASN  31   3.548  13.156  -5.056
  235   HD22  ASN  31          2HD2      ASN  31   4.618  12.771  -6.357
  236    H    CYS  32           H        CYS  32   2.902   8.122  -1.964
  237    HA   CYS  32           HA       CYS  32   3.303   6.044  -3.755
  238    HB2  CYS  32           2HB      CYS  32   1.829   6.344  -1.501
  239    HB3  CYS  32           1HB      CYS  32   0.551   6.327  -2.710
  240    H    ALA  33           H        ALA  33   0.798   8.568  -3.831
  241    HA   ALA  33           HA       ALA  33   0.390   7.942  -6.681
  242    HB1  ALA  33           1HB      ALA  33  -1.849   9.201  -5.237
  243    HB2  ALA  33           2HB      ALA  33  -1.494   7.529  -4.804
  244    HB3  ALA  33           3HB      ALA  33  -1.857   7.948  -6.478
  Start of MODEL   13
    1    H1   ALA   1           1HT      ALA   1 -22.005   3.542 -10.338
    2    H2   ALA   1           2HT      ALA   1 -20.929   3.501 -11.675
    3    H3   ALA   1           3HT      ALA   1 -20.583   4.497 -10.319
    4    HA   ALA   1           HA       ALA   1 -20.627   2.373  -8.997
    5    HB1  ALA   1           2HB      ALA   1 -21.527   0.831 -10.507
    6    HB2  ALA   1           3HB      ALA   1 -19.806   0.451 -10.469
    7    HB3  ALA   1           1HB      ALA   1 -20.477   1.365 -11.819
    8    H    ASP   2           H        ASP   2 -18.888   3.746 -11.720
    9    HA   ASP   2           HA       ASP   2 -16.325   3.132 -10.442
   10    HB2  ASP   2           2HB      ASP   2 -16.955   4.247 -13.184
   11    HB3  ASP   2           1HB      ASP   2 -15.331   3.933 -12.576
   12    H    ARG   3           H        ARG   3 -16.713   4.664  -8.713
   13    HA   ARG   3           HA       ARG   3 -16.598   7.483  -9.496
   14    HB2  ARG   3           2HB      ARG   3 -17.901   6.096  -7.406
   15    HB3  ARG   3           1HB      ARG   3 -16.674   7.102  -6.649
   16    HG2  ARG   3           2HG      ARG   3 -17.675   8.942  -8.240
   17    HG3  ARG   3           1HG      ARG   3 -19.088   7.887  -8.195
   18    HD2  ARG   3           2HD      ARG   3 -19.607   8.524  -6.122
   19    HD3  ARG   3           1HD      ARG   3 -17.953   8.294  -5.558
   20    HE   ARG   3           HE       ARG   3 -17.604  10.542  -5.782
   21   HH11  ARG   3          1HH1      ARG   3 -20.479   9.674  -7.560
   22   HH12  ARG   3          2HH1      ARG   3 -20.910  11.314  -7.909
   23   HH21  ARG   3          1HH2      ARG   3 -18.170  12.700  -6.238
   24   HH22  ARG   3          2HH2      ARG   3 -19.599  13.033  -7.158
   25    H    GLY   4           H        GLY   4 -14.746   4.969  -7.936
   26    HA2  GLY   4           2HA      GLY   4 -12.274   5.399  -8.286
   27    HA3  GLY   4           1HA      GLY   4 -12.581   6.917  -7.455
   28    H    TRP   5           H        TRP   5 -12.492   3.420  -7.096
   29    HA   TRP   5           HA       TRP   5 -13.001   3.354  -4.314
   30    HB2  TRP   5           2HB      TRP   5 -11.897   1.070  -4.466
   31    HB3  TRP   5           1HB      TRP   5 -13.286   1.326  -5.515
   32    HD1  TRP   5           HD       TRP   5  -9.435   1.765  -5.891
   33    HE1  TRP   5           1HE      TRP   5  -8.768   0.866  -8.208
   34    HE3  TRP   5           3HE      TRP   5 -14.059   0.398  -7.592
   35    HZ2  TRP   5           2HZ      TRP   5 -10.034  -0.272 -10.460
   36    HZ3  TRP   5           3HZ      TRP   5 -14.244  -0.588  -9.839
   37    HH2  TRP   5           HH       TRP   5 -12.272  -0.915 -11.242
   38    H    ILE   6           H        ILE   6 -10.170   4.057  -6.182
   39    HA   ILE   6           HA       ILE   6  -8.101   4.800  -5.592
   40    HB   ILE   6           HB       ILE   6  -9.121   4.875  -2.751
   41   HG12  ILE   6          2HG1      ILE   6 -10.611   6.174  -4.160
   42   HG13  ILE   6          1HG1      ILE   6  -9.609   7.265  -3.210
   43   HG21  ILE   6          1HG2      ILE   6  -6.822   5.136  -2.624
   44   HG22  ILE   6          2HG2      ILE   6  -7.394   6.802  -2.717
   45   HG23  ILE   6          3HG2      ILE   6  -6.734   6.013  -4.151
   46   HD11  ILE   6          3HD1      ILE   6  -9.793   8.107  -5.440
   47   HD12  ILE   6          1HD1      ILE   6  -9.270   6.563  -6.114
   48   HD13  ILE   6          2HD1      ILE   6  -8.141   7.547  -5.182
   49    H    LYS   7           H        LYS   7  -6.403   3.504  -5.635
   50    HA   LYS   7           HA       LYS   7  -6.147   1.409  -3.595
   51    HB2  LYS   7           2HB      LYS   7  -5.378  -0.193  -5.280
   52    HB3  LYS   7           1HB      LYS   7  -7.022   0.334  -5.612
   53    HG2  LYS   7           2HG      LYS   7  -6.229   1.829  -7.343
   54    HG3  LYS   7           1HG      LYS   7  -4.557   1.397  -6.976
   55    HD2  LYS   7           2HD      LYS   7  -6.348  -0.868  -7.545
   56    HD3  LYS   7           1HD      LYS   7  -6.050   0.218  -8.904
   57    HE2  LYS   7           2HE      LYS   7  -3.717  -0.140  -8.804
   58    HE3  LYS   7           1HE      LYS   7  -3.826  -0.902  -7.218
   59    HZ1  LYS   7           3HZ      LYS   7  -4.348  -2.022  -9.856
   60    HZ2  LYS   7           1HZ      LYS   7  -5.359  -2.541  -8.603
   61    HZ3  LYS   7           2HZ      LYS   7  -3.685  -2.752  -8.483
   62    H    DBB   8           H        DBB   8  -4.149   1.218  -2.751
   63    HA   DBB   8           HA       DBB   8  -1.768   1.897  -4.130
   64    HB3  DBB   8           HB       DBB   8  -1.775   0.233  -2.372
   65    HG1  DBB   8          3HG2      DBB   8   0.265   1.754  -2.751
   66    HG2  DBB   8          1HG2      DBB   8   0.191   0.786  -1.283
   67    HG3  DBB   8          2HG2      DBB   8  -0.195   2.503  -1.222
   68    H    LEU   9           H        LEU   9  -3.686   3.557  -1.652
   69    HA   LEU   9           HA       LEU   9  -3.013   6.110  -2.627
   70    HB2  LEU   9           2HB      LEU   9  -4.381   6.981  -0.965
   71    HB3  LEU   9           1HB      LEU   9  -5.065   5.400  -1.287
   72    HG   LEU   9           HG       LEU   9  -3.194   5.945   1.016
   73   HD11  LEU   9          1HD1      LEU   9  -5.448   7.227   0.960
   74   HD12  LEU   9          2HD1      LEU   9  -4.980   6.359   2.421
   75   HD13  LEU   9          3HD1      LEU   9  -6.153   5.650   1.312
   76   HD21  LEU   9          3HD2      LEU   9  -4.724   3.608   0.023
   77   HD22  LEU   9          1HD2      LEU   9  -4.658   3.849   1.768
   78   HD23  LEU   9          2HD2      LEU   9  -3.165   3.679   0.845
   79    H    DBB  10           H        DBB  10  -1.477   4.082  -0.255
   80    HA   DBB  10           HA       DBB  10  -0.089   6.062   1.174
   81    HB3  DBB  10           HB       DBB  10   0.976   6.678  -0.865
   82    HG1  DBB  10          3HG2      DBB  10   3.356   6.033  -0.528
   83    HG2  DBB  10          1HG2      DBB  10   2.833   4.918   0.733
   84    HG3  DBB  10          2HG2      DBB  10   2.571   6.651   0.924
   85    H    LYS  11           H        LYS  11   1.358   5.232   2.692
   86    HA   LYS  11           HA       LYS  11   2.184   2.504   2.697
   87    HB2  LYS  11           2HB      LYS  11   2.130   4.368   5.068
   88    HB3  LYS  11           1HB      LYS  11   3.170   2.971   4.821
   89    HG2  LYS  11           2HG      LYS  11   3.823   4.462   2.665
   90    HG3  LYS  11           1HG      LYS  11   3.431   5.724   3.833
   91    HD2  LYS  11           2HD      LYS  11   5.250   5.297   5.086
   92    HD3  LYS  11           1HD      LYS  11   5.087   3.549   4.900
   93    HE2  LYS  11           2HE      LYS  11   6.452   3.481   3.100
   94    HE3  LYS  11           1HE      LYS  11   5.884   5.031   2.479
   95    HZ1  LYS  11           3HZ      LYS  11   7.939   5.658   3.126
   96    HZ2  LYS  11           1HZ      LYS  11   8.079   4.451   4.304
   97    HZ3  LYS  11           2HZ      LYS  11   7.186   5.849   4.628
   98    H    ASP  12           H        ASP  12  -0.781   3.911   3.361
   99    HA   ASP  12           HA       ASP  12  -1.534   2.040   5.454
  100    HB2  ASP  12           2HB      ASP  12  -2.343   4.600   4.863
  101    HB3  ASP  12           1HB      ASP  12  -3.673   3.634   4.232
  102    H    CYS  13           H        CYS  13  -0.820   1.102   2.730
  103    HA   CYS  13           HA       CYS  13  -3.377  -0.000   1.815
  104    HB2  CYS  13           2HB      CYS  13  -0.680   0.322   0.526
  105    HB3  CYS  13           1HB      CYS  13  -1.868  -0.799  -0.130
  106    HA   PRO  14           HA       PRO  14  -1.821  -3.679   3.984
  107    HB2  PRO  14           2HB      PRO  14  -4.547  -4.654   3.922
  108    HB3  PRO  14           1HB      PRO  14  -3.595  -4.132   5.311
  109    HG2  PRO  14           2HG      PRO  14  -5.767  -2.772   4.360
  110    HG3  PRO  14           1HG      PRO  14  -4.434  -2.008   5.244
  111    HD2  PRO  14           2HD      PRO  14  -4.956  -2.092   2.297
  112    HD3  PRO  14           1HD      PRO  14  -4.368  -0.750   3.301
  113    H    ASN  15           H        ASN  15  -1.225  -3.646   1.366
  114    HA   ASN  15           HA       ASN  15  -1.970  -6.331   0.528
  115    HB2  ASN  15           2HB      ASN  15  -2.897  -3.892  -0.798
  116    HB3  ASN  15           1HB      ASN  15  -2.070  -4.999  -1.888
  117   HD21  ASN  15          1HD2      ASN  15  -4.995  -4.148  -0.919
  118   HD22  ASN  15          2HD2      ASN  15  -5.836  -5.651  -1.046
  119    H    VAL  16           H        VAL  16   0.450  -4.858   1.494
  120    HA   VAL  16           HA       VAL  16   2.282  -5.948  -0.461
  121    HB   VAL  16           HB       VAL  16   2.527  -3.028   0.273
  122   HG11  VAL  16          1HG1      VAL  16   4.456  -2.959  -0.961
  123   HG12  VAL  16          2HG1      VAL  16   3.992  -4.329  -1.968
  124   HG13  VAL  16          3HG1      VAL  16   4.554  -4.600  -0.319
  125   HG21  VAL  16          3HG2      VAL  16   1.548  -4.309  -2.275
  126   HG22  VAL  16          1HG2      VAL  16   1.996  -2.610  -2.124
  127   HG23  VAL  16          2HG2      VAL  16   0.640  -3.250  -1.195
  128    H    ILE  17           H        ILE  17   3.179  -7.300   1.023
  129    HA   ILE  17           HA       ILE  17   4.545  -6.022   3.297
  130    HB   ILE  17           HB       ILE  17   3.600  -8.853   3.474
  131   HG12  ILE  17          2HG1      ILE  17   1.687  -7.705   4.895
  132   HG13  ILE  17          1HG1      ILE  17   1.982  -6.361   3.795
  133   HG21  ILE  17          1HG2      ILE  17   3.685  -7.034   5.795
  134   HG22  ILE  17          2HG2      ILE  17   5.233  -7.437   5.054
  135   HG23  ILE  17          3HG2      ILE  17   4.182  -8.719   5.653
  136   HD11  ILE  17          3HD1      ILE  17   1.215  -7.521   1.964
  137   HD12  ILE  17          1HD1      ILE  17   0.163  -8.129   3.243
  138   HD13  ILE  17          2HD1      ILE  17   1.534  -9.094   2.693
  139    H    SER  18           H        SER  18   6.627  -6.339   3.364
  140    HA   SER  18           HA       SER  18   8.169  -8.524   3.112
  141    HB2  SER  18           2HB      SER  18   7.506  -9.124   0.928
  142    HB3  SER  18           1HB      SER  18   7.519  -7.453   0.368
  143    HG   SER  18           HG       SER  18   9.444  -9.211   0.146
  144    H    SER  19           H        SER  19  10.501  -7.957   2.197
  145    HA   SER  19           HA       SER  19  11.532  -5.879   3.683
  146    HB2  SER  19           2HB      SER  19  13.552  -6.052   2.217
  147    HB3  SER  19           1HB      SER  19  12.977  -7.611   2.808
  148    HG   SER  19           HG       SER  19  13.506  -7.438   0.488
  149    H    ILE  20           H        ILE  20  11.460  -5.789   0.142
  150    HA   ILE  20           HA       ILE  20  11.553  -2.938   0.109
  151    HB   ILE  20           HB       ILE  20  12.425  -4.822  -1.603
  152   HG12  ILE  20          2HG1      ILE  20  11.676  -1.957  -2.098
  153   HG13  ILE  20          1HG1      ILE  20  13.249  -2.627  -1.700
  154   HG21  ILE  20          1HG2      ILE  20  10.141  -3.774  -3.201
  155   HG22  ILE  20          2HG2      ILE  20   9.900  -5.188  -2.177
  156   HG23  ILE  20          3HG2      ILE  20  11.124  -5.216  -3.446
  157   HD11  ILE  20          3HD1      ILE  20  13.385  -3.653  -3.901
  158   HD12  ILE  20          1HD1      ILE  20  13.137  -1.911  -4.024
  159   HD13  ILE  20          2HD1      ILE  20  11.791  -3.015  -4.303
  160    H    CYS  21           H        CYS  21   9.870  -2.284  -1.983
  161    HA   CYS  21           HA       CYS  21   7.203  -2.877  -0.901
  162    HB2  CYS  21           2HB      CYS  21   7.583  -0.259  -2.227
  163    HB3  CYS  21           1HB      CYS  21   6.578  -0.689  -0.851
  164    H    ALA  22           H        ALA  22   9.123  -2.159  -3.733
  165    HA   ALA  22           HA       ALA  22   6.974  -3.282  -5.394
  166    HB1  ALA  22           1HB      ALA  22   8.418  -0.703  -5.744
  167    HB2  ALA  22           2HB      ALA  22   6.722  -1.095  -6.024
  168    HB3  ALA  22           3HB      ALA  22   7.949  -1.614  -7.178
  169    H    GLY  23           H        GLY  23   7.890  -3.773  -7.675
  170    HA2  GLY  23           2HA      GLY  23  10.120  -5.561  -7.280
  171    HA3  GLY  23           1HA      GLY  23   9.175  -5.379  -8.750
  172    H    THR  24           H        THR  24   9.509  -2.632  -9.180
  173    HA   THR  24           HA       THR  24  11.940  -2.582 -10.570
  174    HB   THR  24           HB       THR  24  11.497  -0.158 -10.857
  175    HG1  THR  24           1HG      THR  24   9.262  -0.609  -9.177
  176   HG21  THR  24          3HG2      THR  24  10.335  -1.704 -12.333
  177   HG22  THR  24          1HG2      THR  24   9.336  -0.300 -11.957
  178   HG23  THR  24          2HG2      THR  24   9.024  -1.843 -11.162
  179    H    ILE  25           H        ILE  25  13.711  -0.991 -10.253
  180    HA   ILE  25           HA       ILE  25  14.279  -0.518  -7.403
  181    HB   ILE  25           HB       ILE  25  16.349  -1.414  -9.407
  182   HG12  ILE  25          2HG1      ILE  25  14.695  -3.203  -8.944
  183   HG13  ILE  25          1HG1      ILE  25  16.295  -3.591  -8.320
  184   HG21  ILE  25          1HG2      ILE  25  16.418  -1.028  -6.419
  185   HG22  ILE  25          2HG2      ILE  25  17.289  -0.095  -7.637
  186   HG23  ILE  25          3HG2      ILE  25  17.705  -1.786  -7.358
  187   HD11  ILE  25          3HD1      ILE  25  15.632  -3.171  -6.098
  188   HD12  ILE  25          1HD1      ILE  25  14.351  -4.141  -6.825
  189   HD13  ILE  25          2HD1      ILE  25  14.131  -2.403  -6.615
  190    H    ILE  26           H        ILE  26  14.861   1.495  -6.942
  191    HA   ILE  26           HA       ILE  26  16.172   3.144  -8.968
  192    HB   ILE  26           HB       ILE  26  13.809   4.206  -7.428
  193   HG12  ILE  26          2HG1      ILE  26  12.859   4.152  -9.921
  194   HG13  ILE  26          1HG1      ILE  26  13.936   2.764 -10.032
  195   HG21  ILE  26          1HG2      ILE  26  15.813   5.568  -8.595
  196   HG22  ILE  26          2HG2      ILE  26  14.163   6.178  -8.466
  197   HG23  ILE  26          3HG2      ILE  26  14.707   5.417  -9.961
  198   HD11  ILE  26          3HD1      ILE  26  11.621   2.168  -9.443
  199   HD12  ILE  26          1HD1      ILE  26  11.788   3.098  -7.955
  200   HD13  ILE  26          2HD1      ILE  26  12.794   1.674  -8.223
  201    H    THR  27           H        THR  27  14.931   3.008  -5.646
  202    HA   THR  27           HA       THR  27  17.458   3.639  -4.515
  203    HB   THR  27           HB       THR  27  16.919   5.893  -5.252
  204    HG1  THR  27           1HG      THR  27  17.904   5.665  -3.201
  205   HG21  THR  27          3HG2      THR  27  14.462   5.676  -5.332
  206   HG22  THR  27          1HG2      THR  27  15.013   7.121  -4.485
  207   HG23  THR  27          2HG2      THR  27  14.433   5.731  -3.570
  208    H    ALA  28           H        ALA  28  13.953   3.843  -3.968
  209    HA   ALA  28           HA       ALA  28  14.345   2.399  -1.436
  210    HB1  ALA  28           1HB      ALA  28  13.242   3.995  -0.353
  211    HB2  ALA  28           2HB      ALA  28  11.857   3.793  -1.427
  212    HB3  ALA  28           3HB      ALA  28  13.143   4.925  -1.848
  213    H    CYS  29           H        CYS  29  11.617   3.244  -3.539
  214    HA   CYS  29           HA       CYS  29  11.136   0.793  -4.686
  215    HB2  CYS  29           2HB      CYS  29   9.183   0.053  -3.227
  216    HB3  CYS  29           1HB      CYS  29  10.797  -0.256  -2.606
  217    H    LYS  30           H        LYS  30   9.773   1.211  -6.302
  218    HA   LYS  30           HA       LYS  30   8.517   3.663  -6.666
  219    HB2  LYS  30           2HB      LYS  30   8.972   1.473  -8.231
  220    HB3  LYS  30           1HB      LYS  30   7.227   1.395  -8.028
  221    HG2  LYS  30           2HG      LYS  30   7.007   3.660  -8.886
  222    HG3  LYS  30           1HG      LYS  30   8.761   3.778  -9.050
  223    HD2  LYS  30           2HD      LYS  30   7.553   1.444 -10.364
  224    HD3  LYS  30           1HD      LYS  30   7.068   3.004 -11.031
  225    HE2  LYS  30           2HE      LYS  30   9.949   2.334 -10.518
  226    HE3  LYS  30           1HE      LYS  30   9.147   1.868 -12.017
  227    HZ1  LYS  30           3HZ      LYS  30   8.885   4.650 -11.177
  228    HZ2  LYS  30           1HZ      LYS  30   9.039   3.997 -12.732
  229    HZ3  LYS  30           2HZ      LYS  30  10.401   4.162 -11.743
  230    H    ASN  31           H        ASN  31   7.444   0.840  -4.974
  231    HA   ASN  31           HA       ASN  31   4.659   1.418  -4.973
  232    HB2  ASN  31           2HB      ASN  31   6.237  -0.702  -4.148
  233    HB3  ASN  31           1HB      ASN  31   5.615  -0.049  -2.638
  234   HD21  ASN  31          1HD2      ASN  31   4.829  -1.600  -5.630
  235   HD22  ASN  31          2HD2      ASN  31   3.197  -2.002  -5.232
  236    H    CYS  32           H        CYS  32   3.559   1.626  -2.737
  237    HA   CYS  32           HA       CYS  32   4.260   4.208  -1.728
  238    HB2  CYS  32           2HB      CYS  32   2.041   2.304  -1.498
  239    HB3  CYS  32           1HB      CYS  32   2.314   3.269  -0.052
  240    H    ALA  33           H        ALA  33   4.149   0.935  -0.345
  241    HA   ALA  33           HA       ALA  33   6.392   1.445   1.347
  242    HB1  ALA  33           1HB      ALA  33   3.774   1.035   2.778
  243    HB2  ALA  33           2HB      ALA  33   4.526   2.614   2.557
  244    HB3  ALA  33           3HB      ALA  33   5.355   1.365   3.486
  Start of MODEL   14
    1    H1   ALA   1           1HT      ALA   1  -3.618   0.379 -12.785
    2    H2   ALA   1           2HT      ALA   1  -3.163   2.004 -13.099
    3    H3   ALA   1           3HT      ALA   1  -3.385   0.905 -14.400
    4    HA   ALA   1           HA       ALA   1  -5.264   2.170 -14.412
    5    HB1  ALA   1           2HB      ALA   1  -5.409  -0.489 -14.057
    6    HB2  ALA   1           3HB      ALA   1  -6.817   0.535 -14.339
    7    HB3  ALA   1           1HB      ALA   1  -6.392   0.054 -12.696
    8    H    ASP   2           H        ASP   2  -6.537   3.666 -13.467
    9    HA   ASP   2           HA       ASP   2  -6.558   3.801 -10.527
   10    HB2  ASP   2           2HB      ASP   2  -5.607   5.805 -12.467
   11    HB3  ASP   2           1HB      ASP   2  -6.699   6.437 -11.237
   12    H    ARG   3           H        ARG   3  -8.641   2.877 -10.543
   13    HA   ARG   3           HA       ARG   3 -10.746   4.810 -11.092
   14    HB2  ARG   3           2HB      ARG   3 -10.697   2.031 -12.274
   15    HB3  ARG   3           1HB      ARG   3 -12.141   3.031 -12.193
   16    HG2  ARG   3           2HG      ARG   3 -11.231   4.630 -13.680
   17    HG3  ARG   3           1HG      ARG   3  -9.621   3.918 -13.567
   18    HD2  ARG   3           2HD      ARG   3 -11.194   1.814 -14.406
   19    HD3  ARG   3           1HD      ARG   3 -11.871   3.196 -15.266
   20    HE   ARG   3           HE       ARG   3  -9.007   3.049 -15.405
   21   HH11  ARG   3          1HH1      ARG   3 -11.994   1.954 -16.838
   22   HH12  ARG   3          2HH1      ARG   3 -11.280   1.632 -18.384
   23   HH21  ARG   3          1HH2      ARG   3  -8.066   2.625 -17.436
   24   HH22  ARG   3          2HH2      ARG   3  -9.051   2.013 -18.723
   25    H    GLY   4           H        GLY   4 -12.833   4.156 -10.120
   26    HA2  GLY   4           2HA      GLY   4 -14.126   3.112  -8.494
   27    HA3  GLY   4           1HA      GLY   4 -12.788   2.019  -8.172
   28    H    TRP   5           H        TRP   5 -13.081   2.251  -5.928
   29    HA   TRP   5           HA       TRP   5 -12.874   4.849  -4.700
   30    HB2  TRP   5           2HB      TRP   5 -12.986   3.622  -2.581
   31    HB3  TRP   5           1HB      TRP   5 -14.250   3.085  -3.682
   32    HD1  TRP   5           HD       TRP   5 -11.075   1.885  -1.951
   33    HE1  TRP   5           1HE      TRP   5 -10.898  -0.669  -2.215
   34    HE3  TRP   5           3HE      TRP   5 -14.908   1.143  -5.252
   35    HZ2  TRP   5           2HZ      TRP   5 -12.211  -2.726  -3.636
   36    HZ3  TRP   5           3HZ      TRP   5 -15.381  -1.147  -6.014
   37    HH2  TRP   5           HH       TRP   5 -14.060  -3.042  -5.223
   38    H    ILE   6           H        ILE   6 -11.254   5.021  -2.793
   39    HA   ILE   6           HA       ILE   6  -8.635   4.946  -3.925
   40    HB   ILE   6           HB       ILE   6  -7.920   5.751  -1.642
   41   HG12  ILE   6          2HG1      ILE   6 -10.689   6.400  -0.904
   42   HG13  ILE   6          1HG1      ILE   6 -10.310   4.683  -0.811
   43   HG21  ILE   6          1HG2      ILE   6  -9.538   7.879  -1.944
   44   HG22  ILE   6          2HG2      ILE   6  -9.761   7.096  -3.508
   45   HG23  ILE   6          3HG2      ILE   6  -8.144   7.555  -2.975
   46   HD11  ILE   6          3HD1      ILE   6  -8.819   4.967   0.891
   47   HD12  ILE   6          1HD1      ILE   6  -9.952   6.273   1.238
   48   HD13  ILE   6          2HD1      ILE   6  -8.428   6.621   0.423
   49    H    LYS   7           H        LYS   7  -7.283   3.285  -3.933
   50    HA   LYS   7           HA       LYS   7  -7.008   1.579  -1.616
   51    HB2  LYS   7           2HB      LYS   7  -7.383  -0.513  -2.839
   52    HB3  LYS   7           1HB      LYS   7  -8.837   0.474  -2.803
   53    HG2  LYS   7           2HG      LYS   7  -7.686   1.288  -5.130
   54    HG3  LYS   7           1HG      LYS   7  -7.218  -0.412  -5.070
   55    HD2  LYS   7           2HD      LYS   7  -9.362  -1.152  -5.274
   56    HD3  LYS   7           1HD      LYS   7 -10.037   0.243  -4.428
   57    HE2  LYS   7           2HE      LYS   7 -10.743   0.525  -6.639
   58    HE3  LYS   7           1HE      LYS   7  -9.345   1.590  -6.497
   59    HZ1  LYS   7           3HZ      LYS   7  -8.131   0.329  -7.897
   60    HZ2  LYS   7           1HZ      LYS   7  -9.650  -0.142  -8.474
   61    HZ3  LYS   7           2HZ      LYS   7  -8.815  -1.130  -7.385
   62    H    DBB   8           H        DBB   8  -4.974   2.840  -1.859
   63    HA   DBB   8           HA       DBB   8  -3.231   2.016  -4.029
   64    HB3  DBB   8           HB       DBB   8  -3.089   0.226  -2.290
   65    HG1  DBB   8          3HG2      DBB   8  -0.630   0.172  -2.152
   66    HG2  DBB   8          1HG2      DBB   8  -0.578   1.840  -2.724
   67    HG3  DBB   8          2HG2      DBB   8  -1.201   0.568  -3.773
   68    H    LEU   9           H        LEU   9  -3.508   3.764  -0.947
   69    HA   LEU   9           HA       LEU   9  -2.527   6.168  -2.096
   70    HB2  LEU   9           2HB      LEU   9  -2.783   5.597   0.844
   71    HB3  LEU   9           1HB      LEU   9  -2.854   7.154   0.040
   72    HG   LEU   9           HG       LEU   9  -4.939   5.879  -1.150
   73   HD11  LEU   9          1HD1      LEU   9  -4.314   4.107   0.811
   74   HD12  LEU   9          2HD1      LEU   9  -5.922   4.306   0.112
   75   HD13  LEU   9          3HD1      LEU   9  -5.511   5.116   1.623
   76   HD21  LEU   9          3HD2      LEU   9  -5.050   8.106  -0.245
   77   HD22  LEU   9          1HD2      LEU   9  -4.927   7.487   1.402
   78   HD23  LEU   9          2HD2      LEU   9  -6.366   7.150   0.439
   79    H    DBB  10           H        DBB  10  -1.072   3.714  -0.043
   80    HA   DBB  10           HA       DBB  10   1.426   5.229   0.027
   81    HB3  DBB  10           HB       DBB  10   2.759   3.441  -0.870
   82    HG1  DBB  10          3HG2      DBB  10   1.768   1.368  -1.751
   83    HG2  DBB  10          1HG2      DBB  10   0.231   1.827  -1.031
   84    HG3  DBB  10          2HG2      DBB  10   1.607   1.463   0.000
   85    H    LYS  11           H        LYS  11   0.609   5.439   2.256
   86    HA   LYS  11           HA       LYS  11   1.862   3.476   3.939
   87    HB2  LYS  11           2HB      LYS  11   1.343   4.980   5.770
   88    HB3  LYS  11           1HB      LYS  11   2.017   5.886   4.421
   89    HG2  LYS  11           2HG      LYS  11  -0.030   6.858   3.891
   90    HG3  LYS  11           1HG      LYS  11  -0.943   5.648   4.794
   91    HD2  LYS  11           2HD      LYS  11  -0.924   7.758   5.997
   92    HD3  LYS  11           1HD      LYS  11  -0.019   6.535   6.892
   93    HE2  LYS  11           2HE      LYS  11   1.920   7.668   5.320
   94    HE3  LYS  11           1HE      LYS  11   0.889   9.048   5.696
   95    HZ1  LYS  11           3HZ      LYS  11   1.947   7.193   7.756
   96    HZ2  LYS  11           1HZ      LYS  11   1.185   8.683   8.005
   97    HZ3  LYS  11           2HZ      LYS  11   2.725   8.627   7.309
   98    H    ASP  12           H        ASP  12  -1.266   3.853   2.673
   99    HA   ASP  12           HA       ASP  12  -2.443   2.274   4.856
  100    HB2  ASP  12           2HB      ASP  12  -3.438   4.535   3.937
  101    HB3  ASP  12           1HB      ASP  12  -4.103   3.488   2.688
  102    H    CYS  13           H        CYS  13  -0.738   1.210   2.659
  103    HA   CYS  13           HA       CYS  13  -2.671  -0.766   1.657
  104    HB2  CYS  13           2HB      CYS  13  -0.347   0.224   0.009
  105    HB3  CYS  13           1HB      CYS  13  -1.678  -0.804  -0.509
  106    HA   PRO  14           HA       PRO  14   0.510  -3.056   4.028
  107    HB2  PRO  14           2HB      PRO  14  -1.540  -5.161   3.605
  108    HB3  PRO  14           1HB      PRO  14  -0.711  -4.682   5.090
  109    HG2  PRO  14           2HG      PRO  14  -3.256  -4.012   4.675
  110    HG3  PRO  14           1HG      PRO  14  -2.132  -2.887   5.462
  111    HD2  PRO  14           2HD      PRO  14  -3.165  -2.886   2.655
  112    HD3  PRO  14           1HD      PRO  14  -2.855  -1.517   3.745
  113    H    ASN  15           H        ASN  15  -1.024  -3.647   0.990
  114    HA   ASN  15           HA       ASN  15   0.329  -5.968   0.185
  115    HB2  ASN  15           2HB      ASN  15  -1.601  -4.396  -0.921
  116    HB3  ASN  15           1HB      ASN  15  -0.218  -3.982  -1.928
  117   HD21  ASN  15          1HD2      ASN  15  -1.098  -4.969  -3.733
  118   HD22  ASN  15          2HD2      ASN  15  -1.191  -6.686  -3.894
  119    H    VAL  16           H        VAL  16   1.232  -2.576   0.098
  120    HA   VAL  16           HA       VAL  16   3.926  -3.377  -0.792
  121    HB   VAL  16           HB       VAL  16   2.656  -0.710  -1.405
  122   HG11  VAL  16          1HG1      VAL  16   5.060  -0.642  -1.371
  123   HG12  VAL  16          2HG1      VAL  16   4.510  -0.569  -3.046
  124   HG13  VAL  16          3HG1      VAL  16   5.155  -2.076  -2.393
  125   HG21  VAL  16          3HG2      VAL  16   2.852  -1.915  -3.815
  126   HG22  VAL  16          1HG2      VAL  16   1.380  -1.888  -2.844
  127   HG23  VAL  16          2HG2      VAL  16   2.441  -3.296  -2.798
  128    H    ILE  17           H        ILE  17   5.237  -3.208   0.911
  129    HA   ILE  17           HA       ILE  17   4.890  -0.911   2.719
  130    HB   ILE  17           HB       ILE  17   6.518  -3.147   3.718
  131   HG12  ILE  17          2HG1      ILE  17   4.233  -4.286   4.400
  132   HG13  ILE  17          1HG1      ILE  17   3.661  -3.536   2.912
  133   HG21  ILE  17          1HG2      ILE  17   5.823  -2.394   5.727
  134   HG22  ILE  17          2HG2      ILE  17   4.163  -2.151   5.184
  135   HG23  ILE  17          3HG2      ILE  17   5.401  -0.954   4.800
  136   HD11  ILE  17          3HD1      ILE  17   4.696  -5.043   1.639
  137   HD12  ILE  17          1HD1      ILE  17   4.858  -5.988   3.120
  138   HD13  ILE  17          2HD1      ILE  17   6.183  -4.953   2.585
  139    H    SER  18           H        SER  18   7.326  -1.149   4.061
  140    HA   SER  18           HA       SER  18   9.075   0.119   2.169
  141    HB2  SER  18           2HB      SER  18  10.605   0.309   4.176
  142    HB3  SER  18           1HB      SER  18   9.019   1.055   4.368
  143    HG   SER  18           HG       SER  18   8.391  -0.595   5.667
  144    H    SER  19           H        SER  19   8.498  -3.071   2.820
  145    HA   SER  19           HA       SER  19  11.276  -3.931   2.565
  146    HB2  SER  19           2HB      SER  19   9.528  -6.159   2.473
  147    HB3  SER  19           1HB      SER  19  10.569  -5.652   3.806
  148    HG   SER  19           HG       SER  19   8.567  -5.616   4.656
  149    H    ILE  20           H        ILE  20   9.497  -2.662   0.386
  150    HA   ILE  20           HA       ILE  20   9.189  -2.844  -1.840
  151    HB   ILE  20           HB       ILE  20  11.503  -4.738  -1.505
  152   HG12  ILE  20          2HG1      ILE  20  11.682  -2.278  -0.867
  153   HG13  ILE  20          1HG1      ILE  20  12.861  -2.891  -2.006
  154   HG21  ILE  20          1HG2      ILE  20  11.878  -4.248  -3.964
  155   HG22  ILE  20          2HG2      ILE  20  10.210  -3.677  -4.001
  156   HG23  ILE  20          3HG2      ILE  20  10.561  -5.351  -3.570
  157   HD11  ILE  20          3HD1      ILE  20  10.432  -1.259  -2.673
  158   HD12  ILE  20          1HD1      ILE  20  11.565  -1.921  -3.852
  159   HD13  ILE  20          2HD1      ILE  20  12.108  -0.710  -2.691
  160    H    CYS  21           H        CYS  21   8.422  -4.181  -3.555
  161    HA   CYS  21           HA       CYS  21   6.741  -6.307  -2.580
  162    HB2  CYS  21           2HB      CYS  21   5.584  -6.137  -4.652
  163    HB3  CYS  21           1HB      CYS  21   5.937  -4.503  -4.125
  164    H    ALA  22           H        ALA  22   9.357  -5.928  -4.896
  165    HA   ALA  22           HA       ALA  22  10.866  -7.417  -5.738
  166    HB1  ALA  22           1HB      ALA  22   9.746  -9.614  -4.045
  167    HB2  ALA  22           2HB      ALA  22  10.670  -8.303  -3.311
  168    HB3  ALA  22           3HB      ALA  22  11.413  -9.323  -4.543
  169    H    GLY  23           H        GLY  23   8.608  -6.974  -7.206
  170    HA2  GLY  23           2HA      GLY  23   7.240  -7.843  -8.841
  171    HA3  GLY  23           1HA      GLY  23   8.603  -8.911  -9.126
  172    H    THR  24           H        THR  24   5.409  -8.616  -7.873
  173    HA   THR  24           HA       THR  24   5.329 -11.527  -7.521
  174    HB   THR  24           HB       THR  24   5.402 -10.753  -5.277
  175    HG1  THR  24           1HG      THR  24   3.634 -12.218  -5.869
  176   HG21  THR  24          3HG2      THR  24   3.968  -9.062  -4.345
  177   HG22  THR  24          1HG2      THR  24   3.208  -8.799  -5.913
  178   HG23  THR  24          2HG2      THR  24   4.904  -8.382  -5.675
  179    H    ILE  25           H        ILE  25   4.190 -12.033  -9.305
  180    HA   ILE  25           HA       ILE  25   2.370 -12.334 -10.640
  181    HB   ILE  25           HB       ILE  25   0.810 -10.689  -8.646
  182   HG12  ILE  25          2HG1      ILE  25   0.930 -13.694  -8.686
  183   HG13  ILE  25          1HG1      ILE  25   2.110 -12.759  -7.773
  184   HG21  ILE  25          1HG2      ILE  25  -1.123 -11.834  -9.525
  185   HG22  ILE  25          2HG2      ILE  25  -0.106 -12.797 -10.596
  186   HG23  ILE  25          3HG2      ILE  25  -0.251 -11.057 -10.847
  187   HD11  ILE  25          3HD1      ILE  25  -0.867 -12.838  -7.382
  188   HD12  ILE  25          1HD1      ILE  25   0.195 -11.680  -6.582
  189   HD13  ILE  25          2HD1      ILE  25   0.387 -13.407  -6.280
  190    H    ILE  26           H        ILE  26   1.715  -9.094  -9.296
  191    HA   ILE  26           HA       ILE  26   2.545  -7.776 -11.709
  192    HB   ILE  26           HB       ILE  26   0.253  -6.715 -12.052
  193   HG12  ILE  26          2HG1      ILE  26  -1.209  -9.065 -11.253
  194   HG13  ILE  26          1HG1      ILE  26  -0.378  -8.381  -9.859
  195   HG21  ILE  26          1HG2      ILE  26   1.469  -8.655 -13.366
  196   HG22  ILE  26          2HG2      ILE  26  -0.173  -8.152 -13.771
  197   HG23  ILE  26          3HG2      ILE  26   0.091  -9.590 -12.783
  198   HD11  ILE  26          3HD1      ILE  26  -1.784  -6.441 -11.555
  199   HD12  ILE  26          1HD1      ILE  26  -1.702  -6.575  -9.799
  200   HD13  ILE  26          2HD1      ILE  26  -2.807  -7.603 -10.710
  201    H    THR  27           H        THR  27   3.833  -6.861  -9.942
  202    HA   THR  27           HA       THR  27   2.439  -4.579  -8.734
  203    HB   THR  27           HB       THR  27   4.385  -5.257  -6.862
  204    HG1  THR  27           1HG      THR  27   2.936  -7.585  -7.575
  205   HG21  THR  27          3HG2      THR  27   2.548  -5.854  -5.391
  206   HG22  THR  27          1HG2      THR  27   1.454  -5.929  -6.773
  207   HG23  THR  27          2HG2      THR  27   2.182  -4.391  -6.307
  208    H    ALA  28           H        ALA  28   3.554  -2.698  -8.764
  209    HA   ALA  28           HA       ALA  28   6.152  -2.732 -10.114
  210    HB1  ALA  28           1HB      ALA  28   5.746  -0.293 -10.417
  211    HB2  ALA  28           2HB      ALA  28   4.179  -0.504  -9.634
  212    HB3  ALA  28           3HB      ALA  28   4.520  -1.320 -11.160
  213    H    CYS  29           H        CYS  29   4.562  -1.616  -7.185
  214    HA   CYS  29           HA       CYS  29   5.352  -0.562  -5.307
  215    HB2  CYS  29           2HB      CYS  29   7.035  -1.906  -4.140
  216    HB3  CYS  29           1HB      CYS  29   5.805  -2.914  -4.891
  217    H    LYS  30           H        LYS  30   5.986   1.225  -6.973
  218    HA   LYS  30           HA       LYS  30   8.871   1.746  -6.757
  219    HB2  LYS  30           2HB      LYS  30   6.892   2.238  -8.868
  220    HB3  LYS  30           1HB      LYS  30   7.941   3.609  -8.534
  221    HG2  LYS  30           2HG      LYS  30   9.666   2.659  -9.563
  222    HG3  LYS  30           1HG      LYS  30   9.431   1.132  -8.710
  223    HD2  LYS  30           2HD      LYS  30   9.142   0.622 -10.990
  224    HD3  LYS  30           1HD      LYS  30   7.510   0.704 -10.322
  225    HE2  LYS  30           2HE      LYS  30   7.210   2.927 -11.212
  226    HE3  LYS  30           1HE      LYS  30   8.886   2.973 -11.759
  227    HZ1  LYS  30           3HZ      LYS  30   8.458   1.563 -13.489
  228    HZ2  LYS  30           1HZ      LYS  30   6.973   2.371 -13.400
  229    HZ3  LYS  30           2HZ      LYS  30   7.137   0.825 -12.732
  230    H    ASN  31           H        ASN  31   5.997   3.769  -7.139
  231    HA   ASN  31           HA       ASN  31   6.497   5.100  -4.613
  232    HB2  ASN  31           2HB      ASN  31   6.635   7.344  -5.607
  233    HB3  ASN  31           1HB      ASN  31   7.968   6.327  -6.147
  234   HD21  ASN  31          1HD2      ASN  31   6.526   8.715  -7.294
  235   HD22  ASN  31          2HD2      ASN  31   6.141   8.241  -8.910
  236    H    CYS  32           H        CYS  32   4.546   5.066  -3.711
  237    HA   CYS  32           HA       CYS  32   2.125   4.745  -5.056
  238    HB2  CYS  32           2HB      CYS  32   2.974   5.240  -2.317
  239    HB3  CYS  32           1HB      CYS  32   1.456   6.043  -2.685
  240    H    ALA  33           H        ALA  33   3.920   7.630  -4.266
  241    HA   ALA  33           HA       ALA  33   3.660   9.813  -4.852
  242    HB1  ALA  33           1HB      ALA  33   3.456   9.010  -7.109
  243    HB2  ALA  33           2HB      ALA  33   2.286  10.306  -6.859
  244    HB3  ALA  33           3HB      ALA  33   1.753   8.625  -6.862
  Start of MODEL   15
    1    H1   ALA   1           1HT      ALA   1 -21.282   0.760 -11.224
    2    H2   ALA   1           2HT      ALA   1 -20.698  -0.852 -11.317
    3    H3   ALA   1           3HT      ALA   1 -21.162  -0.020 -12.745
    4    HA   ALA   1           HA       ALA   1 -18.729  -0.243 -12.233
    5    HB1  ALA   1           2HB      ALA   1 -18.342   2.110 -13.040
    6    HB2  ALA   1           3HB      ALA   1 -20.082   2.359 -12.898
    7    HB3  ALA   1           1HB      ALA   1 -19.454   1.145 -14.010
    8    H    ASP   2           H        ASP   2 -17.199   0.048 -10.747
    9    HA   ASP   2           HA       ASP   2 -17.842   1.701  -8.407
   10    HB2  ASP   2           2HB      ASP   2 -16.216  -0.755  -8.834
   11    HB3  ASP   2           1HB      ASP   2 -15.673   0.366  -7.589
   12    H    ARG   3           H        ARG   3 -17.250   3.422 -10.188
   13    HA   ARG   3           HA       ARG   3 -14.374   3.871 -10.345
   14    HB2  ARG   3           2HB      ARG   3 -15.913   4.184 -12.325
   15    HB3  ARG   3           1HB      ARG   3 -16.581   5.582 -11.493
   16    HG2  ARG   3           2HG      ARG   3 -15.037   6.616 -12.797
   17    HG3  ARG   3           1HG      ARG   3 -14.042   6.289 -11.376
   18    HD2  ARG   3           2HD      ARG   3 -13.217   4.237 -12.450
   19    HD3  ARG   3           1HD      ARG   3 -14.186   4.606 -13.876
   20    HE   ARG   3           HE       ARG   3 -12.396   6.725 -13.161
   21   HH11  ARG   3          1HH1      ARG   3 -12.660   3.688 -14.861
   22   HH12  ARG   3          2HH1      ARG   3 -11.336   4.026 -15.925
   23   HH21  ARG   3          1HH2      ARG   3 -10.655   7.171 -14.560
   24   HH22  ARG   3          2HH2      ARG   3 -10.198   6.003 -15.754
   25    H    GLY   4           H        GLY   4 -15.097   4.012  -7.767
   26    HA2  GLY   4           2HA      GLY   4 -14.646   6.831  -7.173
   27    HA3  GLY   4           1HA      GLY   4 -16.096   6.114  -6.487
   28    H    TRP   5           H        TRP   5 -12.976   4.527  -6.921
   29    HA   TRP   5           HA       TRP   5 -12.658   4.484  -3.994
   30    HB2  TRP   5           2HB      TRP   5 -13.171   2.275  -5.681
   31    HB3  TRP   5           1HB      TRP   5 -11.483   2.149  -5.199
   32    HD1  TRP   5           HD       TRP   5 -11.302   2.713  -2.292
   33    HE1  TRP   5           1HE      TRP   5 -12.646   1.458  -0.492
   34    HE3  TRP   5           3HE      TRP   5 -15.109   0.941  -5.208
   35    HZ2  TRP   5           2HZ      TRP   5 -15.008  -0.080  -0.329
   36    HZ3  TRP   5           3HZ      TRP   5 -16.871  -0.414  -4.153
   37    HH2  TRP   5           HH       TRP   5 -16.820  -0.913  -1.764
   38    H    ILE   6           H        ILE   6 -10.245   3.124  -3.896
   39    HA   ILE   6           HA       ILE   6  -8.311   4.267  -5.664
   40    HB   ILE   6           HB       ILE   6  -8.797   6.246  -4.285
   41   HG12  ILE   6          2HG1      ILE   6  -6.406   6.562  -3.403
   42   HG13  ILE   6          1HG1      ILE   6  -6.103   4.927  -3.981
   43   HG21  ILE   6          1HG2      ILE   6  -9.506   5.063  -2.255
   44   HG22  ILE   6          2HG2      ILE   6  -8.282   6.286  -1.916
   45   HG23  ILE   6          3HG2      ILE   6  -7.834   4.581  -1.963
   46   HD11  ILE   6          3HD1      ILE   6  -6.440   5.544  -6.218
   47   HD12  ILE   6          1HD1      ILE   6  -5.459   6.831  -5.516
   48   HD13  ILE   6          2HD1      ILE   6  -7.187   7.077  -5.766
   49    H    LYS   7           H        LYS   7  -6.616   2.928  -5.737
   50    HA   LYS   7           HA       LYS   7  -6.138   1.178  -3.414
   51    HB2  LYS   7           2HB      LYS   7  -5.329  -0.521  -5.066
   52    HB3  LYS   7           1HB      LYS   7  -7.050  -0.176  -5.161
   53    HG2  LYS   7           2HG      LYS   7  -5.379   1.468  -6.920
   54    HG3  LYS   7           1HG      LYS   7  -5.363  -0.259  -7.281
   55    HD2  LYS   7           2HD      LYS   7  -7.808  -0.262  -7.377
   56    HD3  LYS   7           1HD      LYS   7  -7.825   1.464  -7.010
   57    HE2  LYS   7           2HE      LYS   7  -8.015   1.495  -9.303
   58    HE3  LYS   7           1HE      LYS   7  -6.268   1.628  -9.102
   59    HZ1  LYS   7           3HZ      LYS   7  -6.854  -0.003 -10.788
   60    HZ2  LYS   7           1HZ      LYS   7  -7.751  -0.886  -9.656
   61    HZ3  LYS   7           2HZ      LYS   7  -6.074  -0.745  -9.484
   62    H    DBB   8           H        DBB   8  -4.236   1.448  -2.492
   63    HA   DBB   8           HA       DBB   8  -1.871   1.939  -4.099
   64    HB3  DBB   8           HB       DBB   8  -1.772   0.247  -2.343
   65    HG1  DBB   8          3HG2      DBB   8   0.193   0.931  -1.134
   66    HG2  DBB   8          1HG2      DBB   8  -0.138   2.627  -1.474
   67    HG3  DBB   8          2HG2      DBB   8   0.307   1.538  -2.785
   68    H    LEU   9           H        LEU   9  -3.671   3.541  -1.494
   69    HA   LEU   9           HA       LEU   9  -2.989   6.116  -2.464
   70    HB2  LEU   9           2HB      LEU   9  -4.350   6.988  -0.774
   71    HB3  LEU   9           1HB      LEU   9  -5.090   5.466  -1.224
   72    HG   LEU   9           HG       LEU   9  -5.259   5.540   1.107
   73   HD11  LEU   9          1HD1      LEU   9  -2.767   3.955   0.522
   74   HD12  LEU   9          2HD1      LEU   9  -4.425   3.393   0.322
   75   HD13  LEU   9          3HD1      LEU   9  -3.808   3.765   1.931
   76   HD21  LEU   9          3HD2      LEU   9  -3.801   6.494   2.570
   77   HD22  LEU   9          1HD2      LEU   9  -3.371   7.399   1.118
   78   HD23  LEU   9          2HD2      LEU   9  -2.381   6.033   1.632
   79    H    DBB  10           H        DBB  10  -1.153   3.994  -0.631
   80    HA   DBB  10           HA       DBB  10   0.131   6.028   0.983
   81    HB3  DBB  10           HB       DBB  10   1.150   6.304  -1.253
   82    HG1  DBB  10          3HG2      DBB  10   3.559   5.933  -0.567
   83    HG2  DBB  10          1HG2      DBB  10   2.929   5.267   0.940
   84    HG3  DBB  10          2HG2      DBB  10   2.587   6.940   0.506
   85    H    LYS  11           H        LYS  11   1.350   5.228   2.653
   86    HA   LYS  11           HA       LYS  11   2.144   2.490   2.829
   87    HB2  LYS  11           2HB      LYS  11   1.964   4.526   5.052
   88    HB3  LYS  11           1HB      LYS  11   2.908   3.043   5.057
   89    HG2  LYS  11           2HG      LYS  11   4.625   4.057   4.095
   90    HG3  LYS  11           1HG      LYS  11   3.606   4.659   2.787
   91    HD2  LYS  11           2HD      LYS  11   4.288   6.645   3.694
   92    HD3  LYS  11           1HD      LYS  11   2.831   6.365   4.650
   93    HE2  LYS  11           2HE      LYS  11   3.988   6.047   6.550
   94    HE3  LYS  11           1HE      LYS  11   5.261   5.134   5.739
   95    HZ1  LYS  11           3HZ      LYS  11   4.977   8.091   5.756
   96    HZ2  LYS  11           1HZ      LYS  11   6.182   7.231   4.937
   97    HZ3  LYS  11           2HZ      LYS  11   6.119   7.196   6.627
   98    H    ASP  12           H        ASP  12  -0.831   3.967   3.202
   99    HA   ASP  12           HA       ASP  12  -1.793   2.245   5.326
  100    HB2  ASP  12           2HB      ASP  12  -2.686   4.680   4.030
  101    HB3  ASP  12           1HB      ASP  12  -3.993   3.504   4.142
  102    H    CYS  13           H        CYS  13  -0.823   1.079   2.781
  103    HA   CYS  13           HA       CYS  13  -3.303  -0.185   1.828
  104    HB2  CYS  13           2HB      CYS  13  -0.620   0.171   0.483
  105    HB3  CYS  13           1HB      CYS  13  -1.909  -0.834  -0.169
  106    HA   PRO  14           HA       PRO  14  -1.178  -3.550   4.141
  107    HB2  PRO  14           2HB      PRO  14  -3.855  -4.498   4.755
  108    HB3  PRO  14           1HB      PRO  14  -2.600  -3.933   5.859
  109    HG2  PRO  14           2HG      PRO  14  -4.905  -2.562   5.392
  110    HG3  PRO  14           1HG      PRO  14  -3.382  -1.781   5.852
  111    HD2  PRO  14           2HD      PRO  14  -4.639  -2.042   3.145
  112    HD3  PRO  14           1HD      PRO  14  -3.805  -0.655   3.873
  113    H    ASN  15           H        ASN  15  -3.245  -3.380   1.470
  114    HA   ASN  15           HA       ASN  15  -3.342  -6.254   1.047
  115    HB2  ASN  15           2HB      ASN  15  -5.195  -4.418   0.536
  116    HB3  ASN  15           1HB      ASN  15  -4.326  -4.302  -0.990
  117   HD21  ASN  15          1HD2      ASN  15  -5.996  -5.145  -2.191
  118   HD22  ASN  15          2HD2      ASN  15  -6.462  -6.806  -2.111
  119    H    VAL  16           H        VAL  16  -3.287  -5.584  -1.969
  120    HA   VAL  16           HA       VAL  16  -1.789  -5.625  -3.679
  121    HB   VAL  16           HB       VAL  16   0.218  -4.403  -1.786
  122   HG11  VAL  16          1HG1      VAL  16   0.092  -4.912  -4.680
  123   HG12  VAL  16          2HG1      VAL  16   1.486  -4.753  -3.614
  124   HG13  VAL  16          3HG1      VAL  16   0.669  -3.311  -4.218
  125   HG21  VAL  16          3HG2      VAL  16  -0.729  -2.294  -3.175
  126   HG22  VAL  16          1HG2      VAL  16  -1.315  -2.759  -1.578
  127   HG23  VAL  16          2HG2      VAL  16  -2.200  -3.255  -3.021
  128    H    ILE  17           H        ILE  17  -2.063  -7.860  -1.899
  129    HA   ILE  17           HA       ILE  17   0.611  -8.961  -1.597
  130    HB   ILE  17           HB       ILE  17  -2.013 -10.335  -1.035
  131   HG12  ILE  17          2HG1      ILE  17  -0.284  -8.935   1.001
  132   HG13  ILE  17          1HG1      ILE  17  -1.622  -8.121   0.197
  133   HG21  ILE  17          1HG2      ILE  17  -0.373 -11.468   0.669
  134   HG22  ILE  17          2HG2      ILE  17   0.850 -10.934  -0.484
  135   HG23  ILE  17          3HG2      ILE  17  -0.448 -12.006  -1.010
  136   HD11  ILE  17          3HD1      ILE  17  -3.010 -10.147   1.035
  137   HD12  ILE  17          1HD1      ILE  17  -2.590  -8.848   2.152
  138   HD13  ILE  17          2HD1      ILE  17  -1.675 -10.355   2.169
  139    H    SER  18           H        SER  18  -1.098  -8.525  -4.226
  140    HA   SER  18           HA       SER  18  -1.235 -11.188  -5.304
  141    HB2  SER  18           2HB      SER  18  -2.011 -10.149  -7.326
  142    HB3  SER  18           1HB      SER  18  -2.766  -9.303  -5.974
  143    HG   SER  18           HG       SER  18  -1.123  -8.342  -7.888
  144    H    SER  19           H        SER  19  -0.264 -10.981  -7.837
  145    HA   SER  19           HA       SER  19   2.458 -11.553  -7.517
  146    HB2  SER  19           2HB      SER  19   1.511 -10.678 -10.198
  147    HB3  SER  19           1HB      SER  19   2.443 -12.104  -9.743
  148    HG   SER  19           HG       SER  19   0.484 -12.960  -8.859
  149    H    ILE  20           H        ILE  20   0.795  -8.604  -8.425
  150    HA   ILE  20           HA       ILE  20   3.175  -7.063  -7.871
  151    HB   ILE  20           HB       ILE  20   1.896  -6.922 -10.608
  152   HG12  ILE  20          2HG1      ILE  20   4.635  -7.856  -9.729
  153   HG13  ILE  20          1HG1      ILE  20   3.352  -8.857 -10.392
  154   HG21  ILE  20          1HG2      ILE  20   2.523  -4.723 -10.000
  155   HG22  ILE  20          2HG2      ILE  20   3.800  -5.327 -11.055
  156   HG23  ILE  20          3HG2      ILE  20   4.050  -5.272  -9.309
  157   HD11  ILE  20          3HD1      ILE  20   3.523  -7.709 -12.520
  158   HD12  ILE  20          1HD1      ILE  20   5.082  -8.379 -12.042
  159   HD13  ILE  20          2HD1      ILE  20   4.771  -6.651 -11.862
  160    H    CYS  21           H        CYS  21   2.741  -4.760  -7.870
  161    HA   CYS  21           HA       CYS  21   0.730  -3.888  -6.327
  162    HB2  CYS  21           2HB      CYS  21   2.381  -2.569  -8.396
  163    HB3  CYS  21           1HB      CYS  21   0.949  -1.693  -7.886
  164    H    ALA  22           H        ALA  22   0.530  -4.426  -9.771
  165    HA   ALA  22           HA       ALA  22  -1.233  -4.609 -11.202
  166    HB1  ALA  22           1HB      ALA  22  -3.415  -5.165 -10.325
  167    HB2  ALA  22           2HB      ALA  22  -2.942  -4.616  -8.716
  168    HB3  ALA  22           3HB      ALA  22  -2.176  -6.039  -9.424
  169    H    GLY  23           H        GLY  23  -0.788  -2.503 -12.010
  170    HA2  GLY  23           2HA      GLY  23  -2.679  -0.794 -12.591
  171    HA3  GLY  23           1HA      GLY  23  -2.410  -0.317 -10.921
  172    H    THR  24           H        THR  24  -1.299  -0.108 -14.159
  173    HA   THR  24           HA       THR  24   0.413   1.008 -15.171
  174    HB   THR  24           HB       THR  24   0.996   3.220 -13.920
  175    HG1  THR  24           1HG      THR  24   0.244   3.082 -11.944
  176   HG21  THR  24          3HG2      THR  24  -1.073   4.285 -14.605
  177   HG22  THR  24          1HG2      THR  24  -1.840   2.708 -14.782
  178   HG23  THR  24          2HG2      THR  24  -0.502   3.159 -15.839
  179    H    ILE  25           H        ILE  25   1.155  -1.068 -13.226
  180    HA   ILE  25           HA       ILE  25   3.301  -0.385 -11.608
  181    HB   ILE  25           HB       ILE  25   3.981  -2.681 -11.660
  182   HG12  ILE  25          2HG1      ILE  25   3.917  -2.948 -14.145
  183   HG13  ILE  25          1HG1      ILE  25   3.199  -4.297 -13.275
  184   HG21  ILE  25          1HG2      ILE  25   1.467  -3.699 -11.689
  185   HG22  ILE  25          2HG2      ILE  25   1.140  -1.976 -11.500
  186   HG23  ILE  25          3HG2      ILE  25   2.175  -2.809 -10.341
  187   HD11  ILE  25          3HD1      ILE  25   0.965  -3.157 -13.681
  188   HD12  ILE  25          1HD1      ILE  25   1.767  -3.889 -15.071
  189   HD13  ILE  25          2HD1      ILE  25   1.828  -2.143 -14.837
  190    H    ILE  26           H        ILE  26   5.626  -1.058 -11.991
  191    HA   ILE  26           HA       ILE  26   6.464  -0.067 -14.631
  192    HB   ILE  26           HB       ILE  26   8.702   0.314 -13.415
  193   HG12  ILE  26          2HG1      ILE  26   7.017   0.562 -10.952
  194   HG13  ILE  26          1HG1      ILE  26   7.698  -1.007 -11.370
  195   HG21  ILE  26          1HG2      ILE  26   7.851   2.498 -12.483
  196   HG22  ILE  26          2HG2      ILE  26   6.230   1.949 -12.907
  197   HG23  ILE  26          3HG2      ILE  26   7.444   2.168 -14.168
  198   HD11  ILE  26          3HD1      ILE  26   9.200   1.538 -10.821
  199   HD12  ILE  26          1HD1      ILE  26   9.943   0.053 -11.416
  200   HD13  ILE  26          2HD1      ILE  26   9.163   0.076  -9.835
  201    H    THR  27           H        THR  27   6.995  -2.573 -12.227
  202    HA   THR  27           HA       THR  27   7.612  -4.575 -14.039
  203    HB   THR  27           HB       THR  27   9.640  -3.426 -14.597
  204    HG1  THR  27           1HG      THR  27  11.179  -4.977 -13.887
  205   HG21  THR  27          3HG2      THR  27  11.323  -2.758 -13.065
  206   HG22  THR  27          1HG2      THR  27  10.449  -3.464 -11.706
  207   HG23  THR  27          2HG2      THR  27   9.801  -2.045 -12.529
  208    H    ALA  28           H        ALA  28   8.700  -3.379 -10.862
  209    HA   ALA  28           HA       ALA  28   7.944  -5.995  -9.738
  210    HB1  ALA  28           1HB      ALA  28  10.070  -6.179  -9.108
  211    HB2  ALA  28           2HB      ALA  28   9.743  -4.890  -7.947
  212    HB3  ALA  28           3HB      ALA  28  10.417  -4.503  -9.531
  213    H    CYS  29           H        CYS  29   6.838  -2.971  -9.938
  214    HA   CYS  29           HA       CYS  29   5.410  -1.701  -8.710
  215    HB2  CYS  29           2HB      CYS  29   3.895  -3.335  -8.265
  216    HB3  CYS  29           1HB      CYS  29   5.100  -4.435  -7.628
  217    H    LYS  30           H        LYS  30   6.628  -0.095  -7.905
  218    HA   LYS  30           HA       LYS  30   8.641  -0.339  -5.978
  219    HB2  LYS  30           2HB      LYS  30   7.701   1.672  -7.596
  220    HB3  LYS  30           1HB      LYS  30   7.264   2.248  -5.994
  221    HG2  LYS  30           2HG      LYS  30   9.812   1.469  -5.558
  222    HG3  LYS  30           1HG      LYS  30   9.903   1.964  -7.249
  223    HD2  LYS  30           2HD      LYS  30   9.226   4.157  -6.760
  224    HD3  LYS  30           1HD      LYS  30   8.614   3.703  -5.168
  225    HE2  LYS  30           2HE      LYS  30  11.186   2.996  -4.877
  226    HE3  LYS  30           1HE      LYS  30  11.374   4.302  -6.047
  227    HZ1  LYS  30           3HZ      LYS  30   9.629   4.855  -3.790
  228    HZ2  LYS  30           1HZ      LYS  30  10.770   5.849  -4.547
  229    HZ3  LYS  30           2HZ      LYS  30  11.272   4.689  -3.423
  230    H    ASN  31           H        ASN  31   5.198  -0.090  -5.644
  231    HA   ASN  31           HA       ASN  31   3.822  -0.189  -3.831
  232    HB2  ASN  31           2HB      ASN  31   5.768  -1.934  -3.239
  233    HB3  ASN  31           1HB      ASN  31   6.044  -0.776  -1.941
  234   HD21  ASN  31          1HD2      ASN  31   4.815  -3.599  -2.288
  235   HD22  ASN  31          2HD2      ASN  31   3.391  -3.517  -1.314
  236    H    CYS  32           H        CYS  32   3.726   0.648  -1.392
  237    HA   CYS  32           HA       CYS  32   4.684   3.422  -1.509
  238    HB2  CYS  32           2HB      CYS  32   2.251   2.110  -0.423
  239    HB3  CYS  32           1HB      CYS  32   2.869   3.498   0.464
  240    H    ALA  33           H        ALA  33   6.405   1.291  -0.661
  241    HA   ALA  33           HA       ALA  33   6.584   1.632   2.239
  242    HB1  ALA  33           1HB      ALA  33   6.898  -0.590   0.755
  243    HB2  ALA  33           2HB      ALA  33   7.660  -0.350   2.327
  244    HB3  ALA  33           3HB      ALA  33   8.572  -0.044   0.849
  Start of MODEL   16
    1    H1   ALA   1           1HT      ALA   1 -10.795   6.039  -6.551
    2    H2   ALA   1           2HT      ALA   1 -10.463   6.851  -5.076
    3    H3   ALA   1           3HT      ALA   1 -11.498   7.572  -6.240
    4    HA   ALA   1           HA       ALA   1 -12.096   4.972  -5.042
    5    HB1  ALA   1           2HB      ALA   1 -12.038   6.132  -3.077
    6    HB2  ALA   1           3HB      ALA   1 -13.676   6.522  -3.601
    7    HB3  ALA   1           1HB      ALA   1 -12.370   7.681  -3.851
    8    H    ASP   2           H        ASP   2 -12.426   5.982  -7.723
    9    HA   ASP   2           HA       ASP   2 -15.265   6.652  -7.881
   10    HB2  ASP   2           2HB      ASP   2 -13.174   7.594  -9.313
   11    HB3  ASP   2           1HB      ASP   2 -13.699   6.283 -10.366
   12    H    ARG   3           H        ARG   3 -13.012   4.079  -8.664
   13    HA   ARG   3           HA       ARG   3 -15.141   2.481  -9.865
   14    HB2  ARG   3           2HB      ARG   3 -12.912   2.574 -10.951
   15    HB3  ARG   3           1HB      ARG   3 -12.209   1.832  -9.519
   16    HG2  ARG   3           2HG      ARG   3 -13.822  -0.095  -9.924
   17    HG3  ARG   3           1HG      ARG   3 -14.094   0.622 -11.514
   18    HD2  ARG   3           2HD      ARG   3 -11.424  -0.233 -10.401
   19    HD3  ARG   3           1HD      ARG   3 -12.380  -1.133 -11.576
   20    HE   ARG   3           HE       ARG   3 -12.064   1.276 -12.760
   21   HH11  ARG   3          1HH1      ARG   3  -9.824  -0.992 -11.338
   22   HH12  ARG   3          2HH1      ARG   3  -8.519  -0.552 -12.387
   23   HH21  ARG   3          1HH2      ARG   3 -10.348   1.855 -14.141
   24   HH22  ARG   3          2HH2      ARG   3  -8.816   1.065 -13.978
   25    H    GLY   4           H        GLY   4 -13.229   2.706  -6.961
   26    HA2  GLY   4           2HA      GLY   4 -14.921   1.364  -5.295
   27    HA3  GLY   4           1HA      GLY   4 -13.924   0.094  -5.987
   28    H    TRP   5           H        TRP   5 -13.510   3.329  -4.544
   29    HA   TRP   5           HA       TRP   5 -12.056   4.118  -2.986
   30    HB2  TRP   5           2HB      TRP   5 -12.978   2.016  -1.787
   31    HB3  TRP   5           1HB      TRP   5 -11.422   1.292  -2.176
   32    HD1  TRP   5           HD       TRP   5  -9.424   3.561  -1.522
   33    HE1  TRP   5           1HE      TRP   5  -9.115   4.416   0.885
   34    HE3  TRP   5           3HE      TRP   5 -13.877   2.023   0.464
   35    HZ2  TRP   5           2HZ      TRP   5 -10.566   4.436   3.306
   36    HZ3  TRP   5           3HZ      TRP   5 -14.337   2.498   2.834
   37    HH2  TRP   5           HH       TRP   5 -12.715   3.680   4.224
   38    H    ILE   6           H        ILE   6 -10.103   4.926  -3.358
   39    HA   ILE   6           HA       ILE   6  -8.400   3.999  -5.357
   40    HB   ILE   6           HB       ILE   6  -8.433   6.316  -4.431
   41   HG12  ILE   6          2HG1      ILE   6  -6.583   5.369  -5.872
   42   HG13  ILE   6          1HG1      ILE   6  -6.141   6.762  -4.894
   43   HG21  ILE   6          1HG2      ILE   6  -8.381   5.552  -2.033
   44   HG22  ILE   6          2HG2      ILE   6  -7.309   6.894  -2.436
   45   HG23  ILE   6          3HG2      ILE   6  -6.654   5.268  -2.248
   46   HD11  ILE   6          3HD1      ILE   6  -4.331   5.368  -4.635
   47   HD12  ILE   6          1HD1      ILE   6  -5.322   3.910  -4.603
   48   HD13  ILE   6          2HD1      ILE   6  -5.292   4.988  -3.208
   49    H    LYS   7           H        LYS   7  -7.162   2.255  -5.422
   50    HA   LYS   7           HA       LYS   7  -6.296   1.014  -2.916
   51    HB2  LYS   7           2HB      LYS   7  -5.762  -0.946  -4.329
   52    HB3  LYS   7           1HB      LYS   7  -7.446  -0.458  -4.455
   53    HG2  LYS   7           2HG      LYS   7  -6.110   0.931  -6.481
   54    HG3  LYS   7           1HG      LYS   7  -5.457  -0.708  -6.509
   55    HD2  LYS   7           2HD      LYS   7  -7.816  -1.554  -6.515
   56    HD3  LYS   7           1HD      LYS   7  -8.350   0.116  -6.714
   57    HE2  LYS   7           2HE      LYS   7  -7.661   0.221  -8.875
   58    HE3  LYS   7           1HE      LYS   7  -6.284  -0.845  -8.599
   59    HZ1  LYS   7           3HZ      LYS   7  -9.022  -1.502  -9.344
   60    HZ2  LYS   7           1HZ      LYS   7  -8.259  -2.566  -8.271
   61    HZ3  LYS   7           2HZ      LYS   7  -7.569  -2.251  -9.782
   62    H    DBB   8           H        DBB   8  -4.409   1.768  -2.200
   63    HA   DBB   8           HA       DBB   8  -2.183   1.942  -4.118
   64    HB3  DBB   8           HB       DBB   8  -1.970   0.203  -2.337
   65    HG1  DBB   8          3HG2      DBB   8   0.248   0.699  -1.607
   66    HG2  DBB   8          1HG2      DBB   8   0.010   2.427  -1.864
   67    HG3  DBB   8          2HG2      DBB   8   0.081   1.333  -3.244
   68    H    LEU   9           H        LEU   9  -3.576   3.477  -1.232
   69    HA   LEU   9           HA       LEU   9  -2.792   6.070  -2.226
   70    HB2  LEU   9           2HB      LEU   9  -4.215   6.990  -0.613
   71    HB3  LEU   9           1HB      LEU   9  -5.015   5.525  -1.145
   72    HG   LEU   9           HG       LEU   9  -3.337   5.582   1.353
   73   HD11  LEU   9          1HD1      LEU   9  -5.667   5.739   2.467
   74   HD12  LEU   9          2HD1      LEU   9  -6.160   6.477   0.943
   75   HD13  LEU   9          3HD1      LEU   9  -4.880   7.214   1.906
   76   HD21  LEU   9          3HD2      LEU   9  -5.044   3.736   1.901
   77   HD22  LEU   9          1HD2      LEU   9  -3.767   3.372   0.739
   78   HD23  LEU   9          2HD2      LEU   9  -5.395   3.746   0.173
   79    H    DBB  10           H        DBB  10  -0.709   4.142  -1.179
   80    HA   DBB  10           HA       DBB  10   0.493   5.998   0.761
   81    HB3  DBB  10           HB       DBB  10   2.665   5.305  -0.096
   82    HG1  DBB  10          3HG2      DBB  10   1.270   3.795  -2.286
   83    HG2  DBB  10          1HG2      DBB  10   1.863   2.983  -0.836
   84    HG3  DBB  10          2HG2      DBB  10   2.988   3.836  -1.892
   85    H    LYS  11           H        LYS  11   1.508   5.241   2.567
   86    HA   LYS  11           HA       LYS  11   2.115   2.542   3.095
   87    HB2  LYS  11           2HB      LYS  11   2.262   3.359   5.503
   88    HB3  LYS  11           1HB      LYS  11   3.310   4.145   4.331
   89    HG2  LYS  11           2HG      LYS  11   2.277   6.137   4.536
   90    HG3  LYS  11           1HG      LYS  11   0.683   5.411   4.756
   91    HD2  LYS  11           2HD      LYS  11   2.558   4.897   6.951
   92    HD3  LYS  11           1HD      LYS  11   2.151   6.600   6.726
   93    HE2  LYS  11           2HE      LYS  11  -0.155   6.189   7.020
   94    HE3  LYS  11           1HE      LYS  11   0.057   4.446   6.857
   95    HZ1  LYS  11           3HZ      LYS  11   1.020   6.128   9.107
   96    HZ2  LYS  11           1HZ      LYS  11   1.313   4.469   8.944
   97    HZ3  LYS  11           2HZ      LYS  11  -0.268   5.032   9.155
   98    H    ASP  12           H        ASP  12  -0.899   4.041   2.997
   99    HA   ASP  12           HA       ASP  12  -2.105   2.444   5.092
  100    HB2  ASP  12           2HB      ASP  12  -3.122   4.506   3.160
  101    HB3  ASP  12           1HB      ASP  12  -4.247   3.488   4.054
  102    H    CYS  13           H        CYS  13  -0.823   1.127   2.755
  103    HA   CYS  13           HA       CYS  13  -3.169  -0.312   1.714
  104    HB2  CYS  13           2HB      CYS  13  -0.463  -0.032   0.397
  105    HB3  CYS  13           1HB      CYS  13  -1.890  -0.808  -0.285
  106    HA   PRO  14           HA       PRO  14  -1.191  -3.547   4.201
  107    HB2  PRO  14           2HB      PRO  14  -3.623  -5.071   3.651
  108    HB3  PRO  14           1HB      PRO  14  -2.993  -4.494   5.195
  109    HG2  PRO  14           2HG      PRO  14  -5.218  -3.470   4.045
  110    HG3  PRO  14           1HG      PRO  14  -4.139  -2.510   5.071
  111    HD2  PRO  14           2HD      PRO  14  -4.346  -2.596   2.085
  112    HD3  PRO  14           1HD      PRO  14  -4.107  -1.201   3.161
  113    H    ASN  15           H        ASN  15  -0.222  -3.361   1.676
  114    HA   ASN  15           HA       ASN  15   0.054  -6.118   0.932
  115    HB2  ASN  15           2HB      ASN  15  -1.989  -4.882  -0.319
  116    HB3  ASN  15           1HB      ASN  15  -0.672  -4.404  -1.384
  117   HD21  ASN  15          1HD2      ASN  15  -3.011  -6.600  -1.007
  118   HD22  ASN  15          2HD2      ASN  15  -2.310  -7.949  -1.828
  119    H    VAL  16           H        VAL  16   1.065  -5.252  -1.753
  120    HA   VAL  16           HA       VAL  16   3.130  -4.839  -2.639
  121    HB   VAL  16           HB       VAL  16   3.105  -2.406  -0.855
  122   HG11  VAL  16          1HG1      VAL  16   4.015  -2.168  -3.620
  123   HG12  VAL  16          2HG1      VAL  16   4.984  -3.277  -2.650
  124   HG13  VAL  16          3HG1      VAL  16   4.765  -1.608  -2.125
  125   HG21  VAL  16          3HG2      VAL  16   0.928  -2.597  -1.928
  126   HG22  VAL  16          1HG2      VAL  16   1.704  -2.800  -3.498
  127   HG23  VAL  16          2HG2      VAL  16   1.852  -1.271  -2.634
  128    H    ILE  17           H        ILE  17   3.163  -6.527  -0.326
  129    HA   ILE  17           HA       ILE  17   5.537  -5.715   1.165
  130    HB   ILE  17           HB       ILE  17   3.967  -8.263   1.511
  131   HG12  ILE  17          2HG1      ILE  17   3.582  -5.706   3.074
  132   HG13  ILE  17          1HG1      ILE  17   2.561  -6.160   1.713
  133   HG21  ILE  17          1HG2      ILE  17   4.899  -7.749   3.928
  134   HG22  ILE  17          2HG2      ILE  17   6.116  -6.863   3.009
  135   HG23  ILE  17          3HG2      ILE  17   5.874  -8.586   2.721
  136   HD11  ILE  17          3HD1      ILE  17   2.928  -7.810   4.202
  137   HD12  ILE  17          1HD1      ILE  17   1.807  -8.123   2.876
  138   HD13  ILE  17          2HD1      ILE  17   1.582  -6.709   3.907
  139    H    SER  18           H        SER  18   5.394  -6.713  -1.758
  140    HA   SER  18           HA       SER  18   7.466  -8.787  -1.466
  141    HB2  SER  18           2HB      SER  18   6.736  -9.625  -3.705
  142    HB3  SER  18           1HB      SER  18   5.495  -9.781  -2.463
  143    HG   SER  18           HG       SER  18   4.439  -8.020  -3.317
  144    H    SER  19           H        SER  19   6.285  -6.641  -4.060
  145    HA   SER  19           HA       SER  19   8.493  -4.947  -4.157
  146    HB2  SER  19           2HB      SER  19   9.185  -7.493  -5.076
  147    HB3  SER  19           1HB      SER  19   8.932  -6.547  -6.542
  148    HG   SER  19           HG       SER  19  10.644  -5.899  -4.374
  149    H    ILE  20           H        ILE  20   7.462  -3.241  -4.947
  150    HA   ILE  20           HA       ILE  20   6.297  -1.882  -6.340
  151    HB   ILE  20           HB       ILE  20   7.575  -3.696  -8.044
  152   HG12  ILE  20          2HG1      ILE  20   6.122  -1.107  -8.586
  153   HG13  ILE  20          1HG1      ILE  20   7.817  -1.302  -8.158
  154   HG21  ILE  20          1HG2      ILE  20   4.736  -3.279  -8.971
  155   HG22  ILE  20          2HG2      ILE  20   5.430  -4.813  -8.446
  156   HG23  ILE  20          3HG2      ILE  20   6.040  -4.021  -9.899
  157   HD11  ILE  20          3HD1      ILE  20   8.258  -2.383 -10.275
  158   HD12  ILE  20          1HD1      ILE  20   7.499  -0.812 -10.536
  159   HD13  ILE  20          2HD1      ILE  20   6.550  -2.291 -10.703
  160    H    CYS  21           H        CYS  21   4.168  -1.430  -6.917
  161    HA   CYS  21           HA       CYS  21   2.213  -3.141  -5.721
  162    HB2  CYS  21           2HB      CYS  21   1.508  -0.811  -7.469
  163    HB3  CYS  21           1HB      CYS  21   0.679  -1.419  -6.051
  164    H    ALA  22           H        ALA  22   2.869  -4.957  -7.217
  165    HA   ALA  22           HA       ALA  22   1.318  -4.822  -9.718
  166    HB1  ALA  22           1HB      ALA  22   2.799  -6.421 -10.683
  167    HB2  ALA  22           2HB      ALA  22   3.599  -6.699  -9.135
  168    HB3  ALA  22           3HB      ALA  22   3.783  -5.150  -9.958
  169    H    GLY  23           H        GLY  23  -0.489  -5.306  -8.139
  170    HA2  GLY  23           2HA      GLY  23  -0.786  -8.230  -7.962
  171    HA3  GLY  23           1HA      GLY  23  -1.167  -7.228  -6.570
  172    H    THR  24           H        THR  24  -1.935  -7.459 -10.040
  173    HA   THR  24           HA       THR  24  -3.838  -6.943 -11.198
  174    HB   THR  24           HB       THR  24  -4.344  -9.167 -10.264
  175    HG1  THR  24           1HG      THR  24  -5.907  -8.267 -11.581
  176   HG21  THR  24          3HG2      THR  24  -4.343  -8.758  -7.903
  177   HG22  THR  24          1HG2      THR  24  -5.928  -9.356  -8.388
  178   HG23  THR  24          2HG2      THR  24  -5.697  -7.639  -8.056
  179    H    ILE  25           H        ILE  25  -3.040  -4.754  -9.711
  180    HA   ILE  25           HA       ILE  25  -5.626  -3.485  -9.214
  181    HB   ILE  25           HB       ILE  25  -4.410  -2.226  -7.273
  182   HG12  ILE  25          2HG1      ILE  25  -3.165  -4.668  -6.378
  183   HG13  ILE  25          1HG1      ILE  25  -2.456  -4.165  -7.907
  184   HG21  ILE  25          1HG2      ILE  25  -5.575  -4.992  -7.046
  185   HG22  ILE  25          2HG2      ILE  25  -6.427  -3.451  -6.933
  186   HG23  ILE  25          3HG2      ILE  25  -5.290  -3.927  -5.671
  187   HD11  ILE  25          3HD1      ILE  25  -1.832  -3.228  -5.372
  188   HD12  ILE  25          1HD1      ILE  25  -2.743  -1.922  -6.131
  189   HD13  ILE  25          2HD1      ILE  25  -1.300  -2.563  -6.916
  190    H    ILE  26           H        ILE  26  -2.107  -2.893  -9.296
  191    HA   ILE  26           HA       ILE  26  -2.664  -0.412 -10.788
  192    HB   ILE  26           HB       ILE  26  -0.203  -0.983  -9.138
  193   HG12  ILE  26          2HG1      ILE  26  -2.512   0.828  -8.414
  194   HG13  ILE  26          1HG1      ILE  26  -2.347  -0.817  -7.807
  195   HG21  ILE  26          1HG2      ILE  26  -1.213   1.417 -10.629
  196   HG22  ILE  26          2HG2      ILE  26   0.349   0.608 -10.765
  197   HG23  ILE  26          3HG2      ILE  26  -0.031   1.559  -9.329
  198   HD11  ILE  26          3HD1      ILE  26   0.055   0.761  -7.409
  199   HD12  ILE  26          1HD1      ILE  26  -0.881  -0.196  -6.260
  200   HD13  ILE  26          2HD1      ILE  26  -1.364   1.459  -6.629
  201    H    THR  27           H        THR  27  -1.066   0.204 -12.398
  202    HA   THR  27           HA       THR  27  -0.450  -1.898 -14.160
  203    HB   THR  27           HB       THR  27   1.057  -0.007 -15.206
  204    HG1  THR  27           1HG      THR  27   0.616   2.000 -14.467
  205   HG21  THR  27          3HG2      THR  27  -1.926   0.328 -15.009
  206   HG22  THR  27          1HG2      THR  27  -1.072  -0.691 -16.168
  207   HG23  THR  27          2HG2      THR  27  -0.872   1.061 -16.220
  208    H    ALA  28           H        ALA  28   2.047   0.347 -13.021
  209    HA   ALA  28           HA       ALA  28   3.781  -1.982 -12.507
  210    HB1  ALA  28           1HB      ALA  28   5.523  -1.046 -13.625
  211    HB2  ALA  28           2HB      ALA  28   5.013   0.604 -13.268
  212    HB3  ALA  28           3HB      ALA  28   4.198  -0.317 -14.532
  213    H    CYS  29           H        CYS  29   2.804   1.231 -11.488
  214    HA   CYS  29           HA       CYS  29   3.021   2.345  -9.521
  215    HB2  CYS  29           2HB      CYS  29   2.138   0.361  -8.470
  216    HB3  CYS  29           1HB      CYS  29   3.712  -0.423  -8.514
  217    H    LYS  30           H        LYS  30   4.602   3.785  -9.457
  218    HA   LYS  30           HA       LYS  30   7.384   2.857  -9.420
  219    HB2  LYS  30           2HB      LYS  30   6.320   4.635 -11.092
  220    HB3  LYS  30           1HB      LYS  30   6.711   5.732  -9.774
  221    HG2  LYS  30           2HG      LYS  30   8.678   5.889 -10.835
  222    HG3  LYS  30           1HG      LYS  30   9.036   4.388  -9.980
  223    HD2  LYS  30           2HD      LYS  30   7.646   4.193 -12.599
  224    HD3  LYS  30           1HD      LYS  30   9.357   4.631 -12.606
  225    HE2  LYS  30           2HE      LYS  30   8.305   2.255 -11.090
  226    HE3  LYS  30           1HE      LYS  30   8.797   2.152 -12.780
  227    HZ1  LYS  30           3HZ      LYS  30  10.988   2.509 -12.258
  228    HZ2  LYS  30           1HZ      LYS  30  10.485   1.629 -10.904
  229    HZ3  LYS  30           2HZ      LYS  30  10.644   3.310 -10.809
  230    H    ASN  31           H        ASN  31   5.641   5.646  -8.110
  231    HA   ASN  31           HA       ASN  31   6.706   5.075  -5.455
  232    HB2  ASN  31           2HB      ASN  31   7.070   7.764  -6.793
  233    HB3  ASN  31           1HB      ASN  31   7.557   7.340  -5.154
  234   HD21  ASN  31          1HD2      ASN  31   9.309   5.940  -4.850
  235   HD22  ASN  31          2HD2      ASN  31  10.477   5.670  -6.094
  236    H    CYS  32           H        CYS  32   5.702   6.442  -3.770
  237    HA   CYS  32           HA       CYS  32   2.893   6.909  -4.431
  238    HB2  CYS  32           2HB      CYS  32   3.836   5.486  -2.424
  239    HB3  CYS  32           1HB      CYS  32   3.935   7.058  -1.637
  240    H    ALA  33           H        ALA  33   5.630   8.522  -2.856
  241    HA   ALA  33           HA       ALA  33   4.136  11.042  -2.860
  242    HB1  ALA  33           1HB      ALA  33   6.859  10.669  -1.663
  243    HB2  ALA  33           2HB      ALA  33   5.406  10.138  -0.816
  244    HB3  ALA  33           3HB      ALA  33   5.608  11.839  -1.238
  Start of MODEL   17
    1    H1   ALA   1           1HT      ALA   1 -14.167  -2.622  -9.800
    2    H2   ALA   1           2HT      ALA   1 -14.223  -4.290 -10.202
    3    H3   ALA   1           3HT      ALA   1 -14.544  -3.781  -8.594
    4    HA   ALA   1           HA       ALA   1 -16.182  -3.558 -10.995
    5    HB1  ALA   1           2HB      ALA   1 -16.507  -4.582  -8.197
    6    HB2  ALA   1           3HB      ALA   1 -16.745  -5.427  -9.727
    7    HB3  ALA   1           1HB      ALA   1 -17.908  -4.210  -9.202
    8    H    ASP   2           H        ASP   2 -15.818  -2.184  -7.727
    9    HA   ASP   2           HA       ASP   2 -17.284   0.191  -8.676
   10    HB2  ASP   2           2HB      ASP   2 -18.186  -1.454  -6.735
   11    HB3  ASP   2           1HB      ASP   2 -17.215  -0.352  -5.764
   12    H    ARG   3           H        ARG   3 -16.688   2.221  -7.651
   13    HA   ARG   3           HA       ARG   3 -13.994   2.254  -6.487
   14    HB2  ARG   3           2HB      ARG   3 -14.940   3.798  -8.893
   15    HB3  ARG   3           1HB      ARG   3 -13.573   4.333  -7.926
   16    HG2  ARG   3           2HG      ARG   3 -12.670   1.937  -8.339
   17    HG3  ARG   3           1HG      ARG   3 -13.827   1.926  -9.672
   18    HD2  ARG   3           2HD      ARG   3 -11.684   2.653 -10.493
   19    HD3  ARG   3           1HD      ARG   3 -12.806   4.013 -10.520
   20    HE   ARG   3           HE       ARG   3 -11.566   4.291  -8.136
   21   HH11  ARG   3          1HH1      ARG   3 -10.392   3.885 -11.397
   22   HH12  ARG   3          2HH1      ARG   3  -8.939   4.785 -11.120
   23   HH21  ARG   3          1HH2      ARG   3  -9.655   5.476  -7.769
   24   HH22  ARG   3          2HH2      ARG   3  -8.521   5.688  -9.059
   25    H    GLY   4           H        GLY   4 -13.523   4.093  -5.200
   26    HA2  GLY   4           2HA      GLY   4 -15.155   6.311  -4.815
   27    HA3  GLY   4           1HA      GLY   4 -15.737   5.067  -3.719
   28    H    TRP   5           H        TRP   5 -13.146   3.896  -3.231
   29    HA   TRP   5           HA       TRP   5 -12.119   5.933  -1.394
   30    HB2  TRP   5           2HB      TRP   5 -12.779   3.326  -0.938
   31    HB3  TRP   5           1HB      TRP   5 -11.045   3.193  -1.210
   32    HD1  TRP   5           HD       TRP   5  -9.434   4.177   0.640
   33    HE1  TRP   5           1HE      TRP   5  -9.829   5.017   3.041
   34    HE3  TRP   5           3HE      TRP   5 -14.529   4.586   0.531
   35    HZ2  TRP   5           2HZ      TRP   5 -12.011   5.755   4.673
   36    HZ3  TRP   5           3HZ      TRP   5 -15.694   5.366   2.553
   37    HH2  TRP   5           HH       TRP   5 -14.459   5.938   4.581
   38    H    ILE   6           H        ILE   6  -9.667   5.659  -0.942
   39    HA   ILE   6           HA       ILE   6  -8.321   5.860  -3.534
   40    HB   ILE   6           HB       ILE   6  -7.208   6.636  -0.841
   41   HG12  ILE   6          2HG1      ILE   6  -7.815   8.992  -2.075
   42   HG13  ILE   6          1HG1      ILE   6  -9.168   7.986  -2.584
   43   HG21  ILE   6          1HG2      ILE   6  -6.448   7.511  -3.624
   44   HG22  ILE   6          2HG2      ILE   6  -5.595   6.292  -2.678
   45   HG23  ILE   6          3HG2      ILE   6  -5.648   7.963  -2.119
   46   HD11  ILE   6          3HD1      ILE   6  -8.396   8.067   0.292
   47   HD12  ILE   6          1HD1      ILE   6  -9.967   7.748  -0.446
   48   HD13  ILE   6          2HD1      ILE   6  -9.326   9.392  -0.409
   49    H    LYS   7           H        LYS   7  -8.226   3.551  -3.846
   50    HA   LYS   7           HA       LYS   7  -6.786   1.887  -2.019
   51    HB2  LYS   7           2HB      LYS   7  -7.713   1.487  -4.861
   52    HB3  LYS   7           1HB      LYS   7  -6.838   0.255  -3.964
   53    HG2  LYS   7           2HG      LYS   7  -9.127   1.327  -2.514
   54    HG3  LYS   7           1HG      LYS   7  -9.557   0.555  -4.041
   55    HD2  LYS   7           2HD      LYS   7  -8.092  -1.389  -3.278
   56    HD3  LYS   7           1HD      LYS   7  -8.120  -0.633  -1.683
   57    HE2  LYS   7           2HE      LYS   7 -10.581  -1.394  -3.249
   58    HE3  LYS   7           1HE      LYS   7  -9.846  -2.405  -2.005
   59    HZ1  LYS   7           3HZ      LYS   7 -11.044   0.287  -1.645
   60    HZ2  LYS   7           1HZ      LYS   7 -10.174  -0.524  -0.441
   61    HZ3  LYS   7           2HZ      LYS   7 -11.620  -1.179  -1.028
   62    H    DBB   8           H        DBB   8  -4.661   1.621  -1.841
   63    HA   DBB   8           HA       DBB   8  -2.896   1.822  -4.091
   64    HB3  DBB   8           HB       DBB   8  -2.414   0.181  -2.381
   65    HG1  DBB   8          3HG2      DBB   8  -0.132   0.728  -1.712
   66    HG2  DBB   8          1HG2      DBB   8  -0.396   2.414  -2.152
   67    HG3  DBB   8          2HG2      DBB   8  -0.407   1.167  -3.398
   68    H    LEU   9           H        LEU   9  -3.470   3.745  -1.163
   69    HA   LEU   9           HA       LEU   9  -2.620   6.129  -2.525
   70    HB2  LEU   9           2HB      LEU   9  -3.327   7.307  -0.557
   71    HB3  LEU   9           1HB      LEU   9  -4.536   6.112  -0.981
   72    HG   LEU   9           HG       LEU   9  -2.757   4.881   0.854
   73   HD11  LEU   9          1HD1      LEU   9  -2.393   7.464   1.302
   74   HD12  LEU   9          2HD1      LEU   9  -2.490   6.297   2.620
   75   HD13  LEU   9          3HD1      LEU   9  -3.899   7.270   2.198
   76   HD21  LEU   9          3HD2      LEU   9  -4.942   4.117   0.838
   77   HD22  LEU   9          1HD2      LEU   9  -5.621   5.745   0.840
   78   HD23  LEU   9          2HD2      LEU   9  -4.902   5.089   2.309
   79    H    DBB  10           H        DBB  10  -1.279   3.967  -0.124
   80    HA   DBB  10           HA       DBB  10   0.844   5.749   0.610
   81    HB3  DBB  10           HB       DBB  10   1.322   4.799  -1.771
   82    HG1  DBB  10          3HG2      DBB  10   3.789   4.562  -1.198
   83    HG2  DBB  10          1HG2      DBB  10   3.317   4.881   0.472
   84    HG3  DBB  10          2HG2      DBB  10   3.009   6.086  -0.777
   85    H    LYS  11           H        LYS  11   1.345   5.309   2.620
   86    HA   LYS  11           HA       LYS  11   2.078   2.814   3.632
   87    HB2  LYS  11           2HB      LYS  11   1.197   5.357   4.978
   88    HB3  LYS  11           1HB      LYS  11   1.680   3.938   5.895
   89    HG2  LYS  11           2HG      LYS  11   3.862   4.244   5.469
   90    HG3  LYS  11           1HG      LYS  11   3.572   4.766   3.809
   91    HD2  LYS  11           2HD      LYS  11   2.523   6.850   5.188
   92    HD3  LYS  11           1HD      LYS  11   3.815   6.348   6.282
   93    HE2  LYS  11           2HE      LYS  11   5.197   7.541   5.004
   94    HE3  LYS  11           1HE      LYS  11   4.998   6.288   3.778
   95    HZ1  LYS  11           3HZ      LYS  11   3.625   7.578   2.551
   96    HZ2  LYS  11           1HZ      LYS  11   4.482   8.825   3.309
   97    HZ3  LYS  11           2HZ      LYS  11   2.960   8.371   3.889
   98    H    ASP  12           H        ASP  12  -1.050   4.041   3.019
   99    HA   ASP  12           HA       ASP  12  -2.351   2.368   5.000
  100    HB2  ASP  12           2HB      ASP  12  -3.193   4.500   3.120
  101    HB3  ASP  12           1HB      ASP  12  -4.401   3.280   3.515
  102    H    CYS  13           H        CYS  13  -0.747   1.146   2.815
  103    HA   CYS  13           HA       CYS  13  -2.859  -0.593   1.742
  104    HB2  CYS  13           2HB      CYS  13  -0.386   0.279   0.235
  105    HB3  CYS  13           1HB      CYS  13  -1.650  -0.789  -0.365
  106    HA   PRO  14           HA       PRO  14   0.440  -2.978   4.050
  107    HB2  PRO  14           2HB      PRO  14  -1.874  -4.329   5.247
  108    HB3  PRO  14           1HB      PRO  14  -0.499  -3.554   6.037
  109    HG2  PRO  14           2HG      PRO  14  -2.970  -2.486   6.100
  110    HG3  PRO  14           1HG      PRO  14  -1.509  -1.483   6.058
  111    HD2  PRO  14           2HD      PRO  14  -3.388  -2.191   3.835
  112    HD3  PRO  14           1HD      PRO  14  -2.612  -0.637   4.203
  113    H    ASN  15           H        ASN  15  -2.295  -3.719   2.101
  114    HA   ASN  15           HA       ASN  15  -1.033  -5.777   0.696
  115    HB2  ASN  15           2HB      ASN  15  -1.697  -6.787   3.091
  116    HB3  ASN  15           1HB      ASN  15  -3.223  -7.049   2.252
  117   HD21  ASN  15          1HD2      ASN  15  -1.687  -9.136   3.188
  118   HD22  ASN  15          2HD2      ASN  15  -1.058 -10.024   1.848
  119    H    VAL  16           H        VAL  16  -4.086  -4.428   1.811
  120    HA   VAL  16           HA       VAL  16  -5.932  -3.737   0.665
  121    HB   VAL  16           HB       VAL  16  -4.544  -4.544  -1.887
  122   HG11  VAL  16          1HG1      VAL  16  -6.699  -4.066  -2.501
  123   HG12  VAL  16          2HG1      VAL  16  -5.976  -2.460  -2.602
  124   HG13  VAL  16          3HG1      VAL  16  -6.932  -2.909  -1.190
  125   HG21  VAL  16          3HG2      VAL  16  -3.831  -2.149  -2.000
  126   HG22  VAL  16          1HG2      VAL  16  -3.024  -3.093  -0.749
  127   HG23  VAL  16          2HG2      VAL  16  -4.324  -1.983  -0.315
  128    H    ILE  17           H        ILE  17  -7.786  -4.602  -0.503
  129    HA   ILE  17           HA       ILE  17  -7.752  -7.547  -0.623
  130    HB   ILE  17           HB       ILE  17 -10.373  -6.302  -0.149
  131   HG12  ILE  17          2HG1      ILE  17  -9.703  -6.235   2.405
  132   HG13  ILE  17          1HG1      ILE  17  -8.098  -5.910   1.758
  133   HG21  ILE  17          1HG2      ILE  17 -10.659  -8.481   0.229
  134   HG22  ILE  17          2HG2      ILE  17  -9.899  -8.191   1.795
  135   HG23  ILE  17          3HG2      ILE  17  -8.929  -8.760   0.435
  136   HD11  ILE  17          3HD1      ILE  17  -9.911  -4.011   2.334
  137   HD12  ILE  17          1HD1      ILE  17 -10.269  -4.282   0.629
  138   HD13  ILE  17          2HD1      ILE  17  -8.640  -3.823   1.126
  139    H    SER  18           H        SER  18 -10.409  -7.782  -1.625
  140    HA   SER  18           HA       SER  18 -11.574  -7.843  -3.571
  141    HB2  SER  18           2HB      SER  18 -10.181  -5.193  -3.986
  142    HB3  SER  18           1HB      SER  18 -11.384  -5.838  -5.102
  143    HG   SER  18           HG       SER  18 -11.697  -4.800  -2.544
  144    H    SER  19           H        SER  19  -8.774  -6.188  -4.969
  145    HA   SER  19           HA       SER  19  -7.366  -8.435  -5.840
  146    HB2  SER  19           2HB      SER  19  -8.009  -8.384  -8.273
  147    HB3  SER  19           1HB      SER  19  -9.242  -9.039  -7.198
  148    HG   SER  19           HG       SER  19  -9.198  -6.621  -8.605
  149    H    ILE  20           H        ILE  20  -5.898  -6.788  -5.048
  150    HA   ILE  20           HA       ILE  20  -4.277  -5.232  -5.326
  151    HB   ILE  20           HB       ILE  20  -4.491  -6.600  -7.793
  152   HG12  ILE  20          2HG1      ILE  20  -2.302  -4.915  -6.569
  153   HG13  ILE  20          1HG1      ILE  20  -2.546  -6.647  -6.367
  154   HG21  ILE  20          1HG2      ILE  20  -3.898  -5.051  -9.470
  155   HG22  ILE  20          2HG2      ILE  20  -3.708  -3.746  -8.302
  156   HG23  ILE  20          3HG2      ILE  20  -5.315  -4.375  -8.669
  157   HD11  ILE  20          3HD1      ILE  20  -2.212  -6.797  -8.897
  158   HD12  ILE  20          1HD1      ILE  20  -0.799  -6.480  -7.891
  159   HD13  ILE  20          2HD1      ILE  20  -1.568  -5.159  -8.772
  160    H    CYS  21           H        CYS  21  -3.922  -3.013  -5.680
  161    HA   CYS  21           HA       CYS  21  -6.084  -1.361  -5.383
  162    HB2  CYS  21           2HB      CYS  21  -4.610   0.488  -5.619
  163    HB3  CYS  21           1HB      CYS  21  -3.694  -0.801  -4.866
  164    H    ALA  22           H        ALA  22  -4.343  -2.070  -8.363
  165    HA   ALA  22           HA       ALA  22  -6.572  -1.888 -10.023
  166    HB1  ALA  22           1HB      ALA  22  -6.754   0.239 -10.729
  167    HB2  ALA  22           2HB      ALA  22  -5.011   0.506 -10.699
  168    HB3  ALA  22           3HB      ALA  22  -5.946   0.621  -9.208
  169    H    GLY  23           H        GLY  23  -5.878  -3.444 -11.346
  170    HA2  GLY  23           2HA      GLY  23  -4.528  -4.658 -12.759
  171    HA3  GLY  23           1HA      GLY  23  -4.156  -3.080 -13.432
  172    H    THR  24           H        THR  24  -2.047  -2.943 -13.732
  173    HA   THR  24           HA       THR  24  -0.259  -3.280 -11.486
  174    HB   THR  24           HB       THR  24  -0.250  -5.541 -12.296
  175    HG1  THR  24           1HG      THR  24   1.850  -5.674 -12.326
  176   HG21  THR  24          3HG2      THR  24   0.405  -4.448 -15.021
  177   HG22  THR  24          1HG2      THR  24  -1.118  -5.199 -14.545
  178   HG23  THR  24          2HG2      THR  24   0.368  -6.151 -14.561
  179    H    ILE  25           H        ILE  25  -1.200  -1.161 -13.341
  180    HA   ILE  25           HA       ILE  25   1.366  -0.417 -14.579
  181    HB   ILE  25           HB       ILE  25   0.091   1.187 -15.938
  182   HG12  ILE  25          2HG1      ILE  25  -2.547   0.249 -15.706
  183   HG13  ILE  25          1HG1      ILE  25  -2.000   0.517 -14.055
  184   HG21  ILE  25          1HG2      ILE  25   0.366  -0.672 -17.203
  185   HG22  ILE  25          2HG2      ILE  25  -1.391  -0.720 -17.070
  186   HG23  ILE  25          3HG2      ILE  25  -0.400  -1.728 -16.017
  187   HD11  ILE  25          3HD1      ILE  25  -1.417   2.654 -16.002
  188   HD12  ILE  25          1HD1      ILE  25  -1.900   2.755 -14.310
  189   HD13  ILE  25          2HD1      ILE  25  -3.106   2.419 -15.552
  190    H    ILE  26           H        ILE  26   2.369   1.465 -14.034
  191    HA   ILE  26           HA       ILE  26   2.880   3.372 -12.895
  192    HB   ILE  26           HB       ILE  26  -0.015   3.559 -12.074
  193   HG12  ILE  26          2HG1      ILE  26   0.149   3.295 -14.522
  194   HG13  ILE  26          1HG1      ILE  26  -0.388   4.912 -14.076
  195   HG21  ILE  26          1HG2      ILE  26   1.608   5.949 -12.659
  196   HG22  ILE  26          2HG2      ILE  26   2.067   5.032 -11.224
  197   HG23  ILE  26          3HG2      ILE  26   0.427   5.660 -11.382
  198   HD11  ILE  26          3HD1      ILE  26   1.391   5.882 -15.007
  199   HD12  ILE  26          1HD1      ILE  26   1.582   4.347 -15.856
  200   HD13  ILE  26          2HD1      ILE  26   2.505   4.662 -14.386
  201    H    THR  27           H        THR  27   0.268   1.880 -10.968
  202    HA   THR  27           HA       THR  27   1.977   2.049  -8.606
  203    HB   THR  27           HB       THR  27  -0.746   0.932  -8.345
  204    HG1  THR  27           1HG      THR  27  -0.287   3.589  -9.206
  205   HG21  THR  27          3HG2      THR  27  -0.902   2.508  -6.498
  206   HG22  THR  27          1HG2      THR  27   0.669   3.181  -6.934
  207   HG23  THR  27          2HG2      THR  27   0.549   1.512  -6.375
  208    H    ALA  28           H        ALA  28   1.841   0.160  -7.060
  209    HA   ALA  28           HA       ALA  28   1.979  -2.377  -8.558
  210    HB1  ALA  28           1HB      ALA  28   3.770  -3.083  -7.049
  211    HB2  ALA  28           2HB      ALA  28   3.705  -1.520  -6.237
  212    HB3  ALA  28           3HB      ALA  28   4.206  -1.616  -7.924
  213    H    CYS  29           H        CYS  29   0.781  -0.694  -5.792
  214    HA   CYS  29           HA       CYS  29  -0.477  -1.298  -4.003
  215    HB2  CYS  29           2HB      CYS  29  -1.859  -3.546  -5.180
  216    HB3  CYS  29           1HB      CYS  29  -2.464  -1.961  -4.747
  217    H    LYS  30           H        LYS  30   2.105  -2.689  -4.306
  218    HA   LYS  30           HA       LYS  30   1.486  -5.183  -2.875
  219    HB2  LYS  30           2HB      LYS  30   3.150  -4.753  -5.068
  220    HB3  LYS  30           1HB      LYS  30   4.257  -4.902  -3.710
  221    HG2  LYS  30           2HG      LYS  30   3.042  -7.029  -3.109
  222    HG3  LYS  30           1HG      LYS  30   2.229  -6.899  -4.669
  223    HD2  LYS  30           2HD      LYS  30   5.109  -6.571  -4.893
  224    HD3  LYS  30           1HD      LYS  30   4.665  -8.122  -4.178
  225    HE2  LYS  30           2HE      LYS  30   2.935  -8.164  -6.161
  226    HE3  LYS  30           1HE      LYS  30   4.076  -7.037  -6.892
  227    HZ1  LYS  30           3HZ      LYS  30   5.045  -8.925  -7.587
  228    HZ2  LYS  30           1HZ      LYS  30   4.354  -9.876  -6.370
  229    HZ3  LYS  30           2HZ      LYS  30   5.728  -8.944  -6.040
  230    H    ASN  31           H        ASN  31   3.339  -2.225  -2.816
  231    HA   ASN  31           HA       ASN  31   3.519  -2.308   0.046
  232    HB2  ASN  31           2HB      ASN  31   5.984  -2.680  -1.645
  233    HB3  ASN  31           1HB      ASN  31   6.068  -1.987  -0.029
  234   HD21  ASN  31          1HD2      ASN  31   6.871  -4.622  -1.413
  235   HD22  ASN  31          2HD2      ASN  31   6.358  -5.825  -0.284
  236    H    CYS  32           H        CYS  32   4.410  -0.313   0.934
  237    HA   CYS  32           HA       CYS  32   4.657   1.887  -0.978
  238    HB2  CYS  32           2HB      CYS  32   2.468   1.495   0.961
  239    HB3  CYS  32           1HB      CYS  32   3.176   3.105   0.948
  240    H    ALA  33           H        ALA  33   4.833   0.899   2.426
  241    HA   ALA  33           HA       ALA  33   7.409   2.147   2.700
  242    HB1  ALA  33           1HB      ALA  33   6.744   3.614   4.587
  243    HB2  ALA  33           2HB      ALA  33   5.056   3.265   4.216
  244    HB3  ALA  33           3HB      ALA  33   6.062   4.109   3.038
  Start of MODEL   18
    1    H1   ALA   1           1HT      ALA   1 -16.311  -3.154  -5.839
    2    H2   ALA   1           2HT      ALA   1 -15.899  -1.777  -4.901
    3    H3   ALA   1           3HT      ALA   1 -17.431  -1.866  -5.670
    4    HA   ALA   1           HA       ALA   1 -18.179  -3.509  -4.274
    5    HB1  ALA   1           2HB      ALA   1 -15.994  -4.763  -4.351
    6    HB2  ALA   1           3HB      ALA   1 -16.828  -4.775  -2.797
    7    HB3  ALA   1           1HB      ALA   1 -15.441  -3.715  -3.044
    8    H    ASP   2           H        ASP   2 -18.448  -3.409  -1.807
    9    HA   ASP   2           HA       ASP   2 -18.376  -0.580  -1.049
   10    HB2  ASP   2           2HB      ASP   2 -20.018  -2.923  -0.092
   11    HB3  ASP   2           1HB      ASP   2 -19.982  -1.389   0.774
   12    H    ARG   3           H        ARG   3 -15.971  -2.096  -0.902
   13    HA   ARG   3           HA       ARG   3 -15.547  -2.107   2.014
   14    HB2  ARG   3           2HB      ARG   3 -15.249  -4.269   0.271
   15    HB3  ARG   3           1HB      ARG   3 -13.609  -3.706   0.561
   16    HG2  ARG   3           2HG      ARG   3 -13.736  -4.125   2.844
   17    HG3  ARG   3           1HG      ARG   3 -15.500  -4.168   2.835
   18    HD2  ARG   3           2HD      ARG   3 -14.785  -6.179   1.077
   19    HD3  ARG   3           1HD      ARG   3 -13.578  -6.297   2.357
   20    HE   ARG   3           HE       ARG   3 -16.323  -7.020   2.528
   21   HH11  ARG   3          1HH1      ARG   3 -13.670  -5.723   4.387
   22   HH12  ARG   3          2HH1      ARG   3 -14.294  -6.283   5.902
   23   HH21  ARG   3          1HH2      ARG   3 -17.144  -7.758   4.519
   24   HH22  ARG   3          2HH2      ARG   3 -16.266  -7.440   5.977
   25    H    GLY   4           H        GLY   4 -15.270   0.173   0.379
   26    HA2  GLY   4           2HA      GLY   4 -13.794   1.904   0.065
   27    HA3  GLY   4           1HA      GLY   4 -12.692   1.042   1.128
   28    H    TRP   5           H        TRP   5 -12.718   2.449  -1.715
   29    HA   TRP   5           HA       TRP   5 -11.827   0.540  -3.566
   30    HB2  TRP   5           2HB      TRP   5 -12.527   2.986  -3.962
   31    HB3  TRP   5           1HB      TRP   5 -10.866   3.395  -3.547
   32    HD1  TRP   5           HD       TRP   5  -9.116   1.491  -5.095
   33    HE1  TRP   5           1HE      TRP   5  -9.149   1.330  -7.664
   34    HE3  TRP   5           3HE      TRP   5 -13.748   3.469  -5.975
   35    HZ2  TRP   5           2HZ      TRP   5 -10.906   1.958  -9.783
   36    HZ3  TRP   5           3HZ      TRP   5 -14.530   3.654  -8.301
   37    HH2  TRP   5           HH       TRP   5 -13.137   2.914 -10.164
   38    H    ILE   6           H        ILE   6  -9.740   3.001  -2.037
   39    HA   ILE   6           HA       ILE   6  -7.495   2.982  -1.594
   40    HB   ILE   6           HB       ILE   6  -8.044   0.202  -0.562
   41   HG12  ILE   6          2HG1      ILE   6  -8.380   2.788   0.961
   42   HG13  ILE   6          1HG1      ILE   6  -9.721   1.954   0.184
   43   HG21  ILE   6          1HG2      ILE   6  -6.128   0.371   0.648
   44   HG22  ILE   6          2HG2      ILE   6  -6.245   2.125   0.797
   45   HG23  ILE   6          3HG2      ILE   6  -5.678   1.403  -0.709
   46   HD11  ILE   6          3HD1      ILE   6  -8.131   1.175   2.573
   47   HD12  ILE   6          1HD1      ILE   6  -8.884  -0.079   1.587
   48   HD13  ILE   6          2HD1      ILE   6  -9.878   1.176   2.328
   49    H    LYS   7           H        LYS   7  -6.593   2.989  -3.656
   50    HA   LYS   7           HA       LYS   7  -5.726   0.360  -4.665
   51    HB2  LYS   7           2HB      LYS   7  -5.650   1.360  -6.902
   52    HB3  LYS   7           1HB      LYS   7  -7.260   1.474  -6.206
   53    HG2  LYS   7           2HG      LYS   7  -6.826   3.812  -5.608
   54    HG3  LYS   7           1HG      LYS   7  -5.227   3.691  -6.345
   55    HD2  LYS   7           2HD      LYS   7  -6.330   3.108  -8.497
   56    HD3  LYS   7           1HD      LYS   7  -7.892   3.401  -7.730
   57    HE2  LYS   7           2HE      LYS   7  -7.005   5.716  -7.167
   58    HE3  LYS   7           1HE      LYS   7  -5.688   5.370  -8.287
   59    HZ1  LYS   7           3HZ      LYS   7  -7.771   4.742  -9.799
   60    HZ2  LYS   7           1HZ      LYS   7  -7.111   6.299  -9.744
   61    HZ3  LYS   7           2HZ      LYS   7  -8.488   5.931  -8.833
   62    H    DBB   8           H        DBB   8  -4.197   1.412  -2.705
   63    HA   DBB   8           HA       DBB   8  -1.733   1.969  -4.132
   64    HB3  DBB   8           HB       DBB   8  -1.809   0.237  -2.359
   65    HG1  DBB   8          3HG2      DBB   8   0.195   0.812  -1.185
   66    HG2  DBB   8          1HG2      DBB   8  -0.049   2.530  -1.501
   67    HG3  DBB   8          2HG2      DBB   8   0.333   1.435  -2.828
   68    H    LEU   9           H        LEU   9  -3.681   3.476  -1.567
   69    HA   LEU   9           HA       LEU   9  -2.947   6.089  -2.457
   70    HB2  LEU   9           2HB      LEU   9  -4.545   6.900  -0.995
   71    HB3  LEU   9           1HB      LEU   9  -5.164   5.317  -1.423
   72    HG   LEU   9           HG       LEU   9  -3.814   6.103   1.158
   73   HD11  LEU   9          1HD1      LEU   9  -6.481   4.823   1.016
   74   HD12  LEU   9          2HD1      LEU   9  -6.360   6.508   0.512
   75   HD13  LEU   9          3HD1      LEU   9  -5.860   6.036   2.135
   76   HD21  LEU   9          3HD2      LEU   9  -3.038   3.905   0.613
   77   HD22  LEU   9          1HD2      LEU   9  -4.663   3.387   0.164
   78   HD23  LEU   9          2HD2      LEU   9  -4.287   3.754   1.847
   79    H    DBB  10           H        DBB  10  -1.021   4.058  -0.871
   80    HA   DBB  10           HA       DBB  10  -0.050   6.033   1.058
   81    HB3  DBB  10           HB       DBB  10   1.197   6.323  -1.052
   82    HG1  DBB  10          3HG2      DBB  10   3.002   5.021   0.980
   83    HG2  DBB  10          1HG2      DBB  10   2.377   6.661   1.148
   84    HG3  DBB  10          2HG2      DBB  10   3.420   6.252  -0.212
   85    H    LYS  11           H        LYS  11   1.696   5.118   2.464
   86    HA   LYS  11           HA       LYS  11   2.231   2.420   2.785
   87    HB2  LYS  11           2HB      LYS  11   2.142   4.663   4.797
   88    HB3  LYS  11           1HB      LYS  11   2.691   3.043   5.206
   89    HG2  LYS  11           2HG      LYS  11   4.414   3.247   3.422
   90    HG3  LYS  11           1HG      LYS  11   3.918   4.925   3.204
   91    HD2  LYS  11           2HD      LYS  11   4.710   5.562   5.294
   92    HD3  LYS  11           1HD      LYS  11   4.688   3.910   5.914
   93    HE2  LYS  11           2HE      LYS  11   6.654   3.340   4.829
   94    HE3  LYS  11           1HE      LYS  11   6.493   4.634   3.642
   95    HZ1  LYS  11           3HZ      LYS  11   8.159   4.771   5.679
   96    HZ2  LYS  11           1HZ      LYS  11   6.794   5.432   6.430
   97    HZ3  LYS  11           2HZ      LYS  11   7.417   6.143   5.027
   98    H    ASP  12           H        ASP  12  -0.706   4.061   3.371
   99    HA   ASP  12           HA       ASP  12  -1.702   2.250   5.372
  100    HB2  ASP  12           2HB      ASP  12  -2.528   4.748   4.188
  101    HB3  ASP  12           1HB      ASP  12  -3.869   3.607   4.196
  102    H    CYS  13           H        CYS  13  -0.793   1.115   2.778
  103    HA   CYS  13           HA       CYS  13  -3.320  -0.029   1.806
  104    HB2  CYS  13           2HB      CYS  13  -0.609   0.241   0.507
  105    HB3  CYS  13           1HB      CYS  13  -1.884  -0.771  -0.157
  106    HA   PRO  14           HA       PRO  14  -1.509  -3.383   4.497
  107    HB2  PRO  14           2HB      PRO  14  -4.300  -4.292   3.981
  108    HB3  PRO  14           1HB      PRO  14  -3.368  -4.323   5.483
  109    HG2  PRO  14           2HG      PRO  14  -5.269  -2.494   5.087
  110    HG3  PRO  14           1HG      PRO  14  -3.764  -2.087   5.931
  111    HD2  PRO  14           2HD      PRO  14  -4.635  -1.395   3.171
  112    HD3  PRO  14           1HD      PRO  14  -3.609  -0.487   4.298
  113    H    ASN  15           H        ASN  15  -3.237  -3.367   1.485
  114    HA   ASN  15           HA       ASN  15  -1.512  -5.278   0.298
  115    HB2  ASN  15           2HB      ASN  15  -4.211  -6.170   1.225
  116    HB3  ASN  15           1HB      ASN  15  -3.584  -6.797  -0.296
  117   HD21  ASN  15          1HD2      ASN  15  -4.142  -8.246   2.123
  118   HD22  ASN  15          2HD2      ASN  15  -2.653  -8.962   2.631
  119    H    VAL  16           H        VAL  16  -1.456  -4.928  -1.833
  120    HA   VAL  16           HA       VAL  16  -3.324  -3.011  -2.946
  121    HB   VAL  16           HB       VAL  16  -0.698  -3.069  -3.177
  122   HG11  VAL  16          1HG1      VAL  16  -1.253  -4.361  -5.788
  123   HG12  VAL  16          2HG1      VAL  16  -1.054  -5.399  -4.376
  124   HG13  VAL  16          3HG1      VAL  16   0.238  -4.294  -4.848
  125   HG21  VAL  16          3HG2      VAL  16  -2.720  -1.700  -4.397
  126   HG22  VAL  16          1HG2      VAL  16  -1.839  -2.365  -5.773
  127   HG23  VAL  16          2HG2      VAL  16  -0.999  -1.362  -4.590
  128    H    ILE  17           H        ILE  17  -3.514  -3.547  -5.527
  129    HA   ILE  17           HA       ILE  17  -4.814  -6.175  -5.650
  130    HB   ILE  17           HB       ILE  17  -6.246  -5.179  -7.420
  131   HG12  ILE  17          2HG1      ILE  17  -5.530  -2.435  -6.566
  132   HG13  ILE  17          1HG1      ILE  17  -4.383  -3.244  -7.628
  133   HG21  ILE  17          1HG2      ILE  17  -6.235  -4.348  -4.597
  134   HG22  ILE  17          2HG2      ILE  17  -7.476  -5.181  -5.533
  135   HG23  ILE  17          3HG2      ILE  17  -7.293  -3.432  -5.670
  136   HD11  ILE  17          3HD1      ILE  17  -6.156  -3.604  -9.265
  137   HD12  ILE  17          1HD1      ILE  17  -5.957  -1.893  -8.888
  138   HD13  ILE  17          2HD1      ILE  17  -7.304  -2.798  -8.197
  139    H    SER  18           H        SER  18  -5.220  -6.355  -8.346
  140    HA   SER  18           HA       SER  18  -2.808  -7.376  -9.294
  141    HB2  SER  18           2HB      SER  18  -5.235  -7.824 -10.090
  142    HB3  SER  18           1HB      SER  18  -4.977  -6.445 -11.157
  143    HG   SER  18           HG       SER  18  -4.325  -8.863 -11.686
  144    H    SER  19           H        SER  19  -4.057  -4.153  -9.375
  145    HA   SER  19           HA       SER  19  -2.684  -3.098 -11.564
  146    HB2  SER  19           2HB      SER  19  -3.054  -0.926 -10.566
  147    HB3  SER  19           1HB      SER  19  -4.476  -1.928 -10.272
  148    HG   SER  19           HG       SER  19  -4.098  -1.190  -8.303
  149    H    ILE  20           H        ILE  20  -1.523  -4.061  -8.449
  150    HA   ILE  20           HA       ILE  20   1.186  -3.401  -9.256
  151    HB   ILE  20           HB       ILE  20   0.533  -2.648  -6.454
  152   HG12  ILE  20          2HG1      ILE  20  -0.066  -0.844  -8.812
  153   HG13  ILE  20          1HG1      ILE  20  -1.259  -1.533  -7.714
  154   HG21  ILE  20          1HG2      ILE  20   2.637  -2.220  -8.417
  155   HG22  ILE  20          2HG2      ILE  20   2.698  -2.156  -6.656
  156   HG23  ILE  20          3HG2      ILE  20   2.175  -0.743  -7.571
  157   HD11  ILE  20          3HD1      ILE  20  -0.293   0.934  -7.452
  158   HD12  ILE  20          1HD1      ILE  20   0.903   0.064  -6.491
  159   HD13  ILE  20          2HD1      ILE  20  -0.809  -0.045  -6.077
  160    H    CYS  21           H        CYS  21   2.707  -4.183  -7.365
  161    HA   CYS  21           HA       CYS  21   2.248  -6.962  -7.081
  162    HB2  CYS  21           2HB      CYS  21   4.310  -5.221  -5.722
  163    HB3  CYS  21           1HB      CYS  21   4.338  -6.980  -5.785
  164    H    ALA  22           H        ALA  22   3.079  -4.856  -4.385
  165    HA   ALA  22           HA       ALA  22   0.795  -4.934  -2.874
  166    HB1  ALA  22           1HB      ALA  22   1.562  -6.842  -1.242
  167    HB2  ALA  22           2HB      ALA  22   2.342  -7.475  -2.691
  168    HB3  ALA  22           3HB      ALA  22   0.599  -7.214  -2.673
  169    H    GLY  23           H        GLY  23   2.983  -3.242  -3.265
  170    HA2  GLY  23           2HA      GLY  23   4.255  -1.776  -2.036
  171    HA3  GLY  23           1HA      GLY  23   3.563  -2.496  -0.590
  172    H    THR  24           H        THR  24   6.111  -2.817  -3.004
  173    HA   THR  24           HA       THR  24   7.783  -4.090  -0.962
  174    HB   THR  24           HB       THR  24   6.918  -5.911  -2.343
  175    HG1  THR  24           1HG      THR  24   9.604  -5.410  -3.081
  176   HG21  THR  24          3HG2      THR  24   8.178  -4.490  -4.677
  177   HG22  THR  24          1HG2      THR  24   6.449  -4.718  -4.408
  178   HG23  THR  24          2HG2      THR  24   7.488  -6.113  -4.695
  179    H    ILE  25           H        ILE  25  10.118  -4.082  -1.593
  180    HA   ILE  25           HA       ILE  25  10.748  -1.517  -2.859
  181    HB   ILE  25           HB       ILE  25  12.664  -3.280  -1.344
  182   HG12  ILE  25          2HG1      ILE  25  11.055  -0.992  -0.198
  183   HG13  ILE  25          1HG1      ILE  25  10.622  -2.685   0.015
  184   HG21  ILE  25          1HG2      ILE  25  12.968  -0.379  -1.242
  185   HG22  ILE  25          2HG2      ILE  25  13.099  -1.048  -2.869
  186   HG23  ILE  25          3HG2      ILE  25  14.157  -1.635  -1.586
  187   HD11  ILE  25          3HD1      ILE  25  11.819  -1.734   1.942
  188   HD12  ILE  25          1HD1      ILE  25  13.218  -1.455   0.905
  189   HD13  ILE  25          2HD1      ILE  25  12.664  -3.101   1.214
  190    H    ILE  26           H        ILE  26  10.060  -3.874  -4.442
  191    HA   ILE  26           HA       ILE  26  12.465  -3.946  -6.094
  192    HB   ILE  26           HB       ILE  26  12.515  -5.993  -4.711
  193   HG12  ILE  26          2HG1      ILE  26  11.825  -6.810  -7.520
  194   HG13  ILE  26          1HG1      ILE  26  13.248  -5.827  -7.195
  195   HG21  ILE  26          1HG2      ILE  26  10.772  -7.367  -4.407
  196   HG22  ILE  26          2HG2      ILE  26  10.279  -7.276  -6.097
  197   HG23  ILE  26          3HG2      ILE  26   9.804  -6.004  -4.971
  198   HD11  ILE  26          3HD1      ILE  26  14.021  -8.028  -7.262
  199   HD12  ILE  26          1HD1      ILE  26  12.668  -8.626  -6.302
  200   HD13  ILE  26          2HD1      ILE  26  13.919  -7.640  -5.545
  201    H    THR  27           H        THR  27  12.037  -4.649  -8.298
  202    HA   THR  27           HA       THR  27  10.887  -4.597 -10.253
  203    HB   THR  27           HB       THR  27   8.516  -5.251  -8.495
  204    HG1  THR  27           1HG      THR  27   9.245  -7.205  -8.508
  205   HG21  THR  27          3HG2      THR  27   8.858  -5.572 -11.465
  206   HG22  THR  27          1HG2      THR  27   7.733  -4.491 -10.646
  207   HG23  THR  27          2HG2      THR  27   7.532  -6.237 -10.511
  208    H    ALA  28           H        ALA  28   9.260  -3.352 -11.474
  209    HA   ALA  28           HA       ALA  28   9.415  -0.652 -11.044
  210    HB1  ALA  28           1HB      ALA  28   7.434  -2.291 -12.583
  211    HB2  ALA  28           2HB      ALA  28   8.783  -1.328 -13.184
  212    HB3  ALA  28           3HB      ALA  28   7.345  -0.530 -12.546
  213    H    CYS  29           H        CYS  29   7.171  -2.896  -9.617
  214    HA   CYS  29           HA       CYS  29   5.249  -0.973  -8.776
  215    HB2  CYS  29           2HB      CYS  29   4.472  -2.803  -7.252
  216    HB3  CYS  29           1HB      CYS  29   4.582  -3.275  -8.943
  217    H    LYS  30           H        LYS  30   7.140   0.493  -8.061
  218    HA   LYS  30           HA       LYS  30   7.803  -0.048  -5.246
  219    HB2  LYS  30           2HB      LYS  30   9.164   1.916  -7.091
  220    HB3  LYS  30           1HB      LYS  30   9.698   1.417  -5.492
  221    HG2  LYS  30           2HG      LYS  30   9.738  -0.962  -6.578
  222    HG3  LYS  30           1HG      LYS  30   9.842  -0.043  -8.080
  223    HD2  LYS  30           2HD      LYS  30  11.758   1.226  -6.980
  224    HD3  LYS  30           1HD      LYS  30  11.746  -0.042  -5.753
  225    HE2  LYS  30           2HE      LYS  30  12.449  -1.666  -7.238
  226    HE3  LYS  30           1HE      LYS  30  11.855  -0.784  -8.643
  227    HZ1  LYS  30           3HZ      LYS  30  14.146  -0.552  -8.759
  228    HZ2  LYS  30           1HZ      LYS  30  14.324  -0.331  -7.091
  229    HZ3  LYS  30           2HZ      LYS  30  13.662   0.901  -8.041
  230    H    ASN  31           H        ASN  31   6.373   2.229  -7.462
  231    HA   ASN  31           HA       ASN  31   6.099   4.366  -5.595
  232    HB2  ASN  31           2HB      ASN  31   4.456   5.253  -7.298
  233    HB3  ASN  31           1HB      ASN  31   6.074   4.929  -7.914
  234   HD21  ASN  31          1HD2      ASN  31   4.641   5.052  -9.911
  235   HD22  ASN  31          2HD2      ASN  31   4.018   3.548 -10.489
  236    H    CYS  32           H        CYS  32   3.952   5.238  -4.943
  237    HA   CYS  32           HA       CYS  32   2.342   3.070  -3.838
  238    HB2  CYS  32           2HB      CYS  32   3.192   5.580  -2.864
  239    HB3  CYS  32           1HB      CYS  32   1.445   5.691  -3.033
  240    H    ALA  33           H        ALA  33   1.849   6.122  -5.606
  241    HA   ALA  33           HA       ALA  33  -0.918   5.636  -6.085
  242    HB1  ALA  33           1HB      ALA  33  -0.326   7.476  -7.943
  243    HB2  ALA  33           2HB      ALA  33   1.063   7.679  -6.877
  244    HB3  ALA  33           3HB      ALA  33  -0.571   7.866  -6.241
  Start of MODEL   19
    1    H1   ALA   1           1HT      ALA   1 -10.935  15.253  -6.661
    2    H2   ALA   1           2HT      ALA   1 -12.166  14.630  -5.637
    3    H3   ALA   1           3HT      ALA   1 -10.657  13.821  -5.762
    4    HA   ALA   1           HA       ALA   1  -9.676  15.990  -4.957
    5    HB1  ALA   1           2HB      ALA   1 -12.201  16.884  -5.176
    6    HB2  ALA   1           3HB      ALA   1 -11.017  17.567  -4.060
    7    HB3  ALA   1           1HB      ALA   1 -12.197  16.389  -3.483
    8    H    ASP   2           H        ASP   2 -12.299  14.146  -3.386
    9    HA   ASP   2           HA       ASP   2 -10.697  13.669  -1.049
   10    HB2  ASP   2           2HB      ASP   2 -13.324  12.381  -1.814
   11    HB3  ASP   2           1HB      ASP   2 -12.608  12.449  -0.206
   12    H    ARG   3           H        ARG   3 -10.504  11.376  -0.197
   13    HA   ARG   3           HA       ARG   3  -9.422   9.697  -2.346
   14    HB2  ARG   3           2HB      ARG   3  -8.262   8.518  -0.421
   15    HB3  ARG   3           1HB      ARG   3  -7.750  10.169  -0.741
   16    HG2  ARG   3           2HG      ARG   3  -9.925   9.971   1.198
   17    HG3  ARG   3           1HG      ARG   3  -8.439   9.164   1.701
   18    HD2  ARG   3           2HD      ARG   3  -8.699  12.033   0.802
   19    HD3  ARG   3           1HD      ARG   3  -8.471  11.479   2.460
   20    HE   ARG   3           HE       ARG   3  -6.458  11.779   0.452
   21   HH11  ARG   3          1HH1      ARG   3  -7.345   9.973   3.304
   22   HH12  ARG   3          2HH1      ARG   3  -5.710   9.578   3.715
   23   HH21  ARG   3          1HH2      ARG   3  -4.307  11.257   0.990
   24   HH22  ARG   3          2HH2      ARG   3  -3.986  10.307   2.403
   25    H    GLY   4           H        GLY   4 -10.555   7.989  -2.974
   26    HA2  GLY   4           2HA      GLY   4 -12.882   7.114  -1.557
   27    HA3  GLY   4           1HA      GLY   4 -12.215   6.388  -3.012
   28    H    TRP   5           H        TRP   5 -12.099   4.273  -2.555
   29    HA   TRP   5           HA       TRP   5 -11.413   3.282   0.040
   30    HB2  TRP   5           2HB      TRP   5 -11.414   1.053  -1.111
   31    HB3  TRP   5           1HB      TRP   5 -12.901   1.971  -1.323
   32    HD1  TRP   5           HD       TRP   5  -9.576   1.913  -3.347
   33    HE1  TRP   5           1HE      TRP   5 -10.180   1.635  -5.834
   34    HE3  TRP   5           3HE      TRP   5 -14.662   1.605  -2.919
   35    HZ2  TRP   5           2HZ      TRP   5 -12.505   1.325  -7.405
   36    HZ3  TRP   5           3HZ      TRP   5 -16.003   1.318  -4.963
   37    HH2  TRP   5           HH       TRP   5 -14.945   1.180  -7.159
   38    H    ILE   6           H        ILE   6  -9.690   1.286  -0.178
   39    HA   ILE   6           HA       ILE   6  -7.165   2.635  -0.527
   40    HB   ILE   6           HB       ILE   6  -6.164   0.543   0.311
   41   HG12  ILE   6          2HG1      ILE   6  -8.324  -0.905   1.288
   42   HG13  ILE   6          1HG1      ILE   6  -8.813  -0.484  -0.351
   43   HG21  ILE   6          1HG2      ILE   6  -7.429   2.416   1.719
   44   HG22  ILE   6          2HG2      ILE   6  -6.659   1.020   2.473
   45   HG23  ILE   6          3HG2      ILE   6  -8.399   1.022   2.189
   46   HD11  ILE   6          3HD1      ILE   6  -6.477  -1.356  -1.015
   47   HD12  ILE   6          1HD1      ILE   6  -7.751  -2.511  -0.625
   48   HD13  ILE   6          2HD1      ILE   6  -6.505  -2.137   0.566
   49    H    LYS   7           H        LYS   7  -6.251   2.790  -2.461
   50    HA   LYS   7           HA       LYS   7  -6.183   0.407  -4.174
   51    HB2  LYS   7           2HB      LYS   7  -6.577   1.751  -6.165
   52    HB3  LYS   7           1HB      LYS   7  -7.926   1.908  -5.048
   53    HG2  LYS   7           2HG      LYS   7  -6.513   4.014  -4.253
   54    HG3  LYS   7           1HG      LYS   7  -5.937   3.916  -5.919
   55    HD2  LYS   7           2HD      LYS   7  -7.911   4.581  -6.770
   56    HD3  LYS   7           1HD      LYS   7  -8.842   3.634  -5.608
   57    HE2  LYS   7           2HE      LYS   7  -9.250   6.010  -5.295
   58    HE3  LYS   7           1HE      LYS   7  -8.419   5.334  -3.893
   59    HZ1  LYS   7           3HZ      LYS   7  -6.793   6.516  -6.021
   60    HZ2  LYS   7           1HZ      LYS   7  -6.520   6.472  -4.351
   61    HZ3  LYS   7           2HZ      LYS   7  -7.639   7.564  -4.998
   62    H    DBB   8           H        DBB   8  -4.239   1.558  -2.349
   63    HA   DBB   8           HA       DBB   8  -2.016   1.731  -4.201
   64    HB3  DBB   8           HB       DBB   8  -1.719   0.266  -2.318
   65    HG1  DBB   8          3HG2      DBB   8   0.248   1.079  -1.235
   66    HG2  DBB   8          1HG2      DBB   8  -0.176   2.753  -1.592
   67    HG3  DBB   8          2HG2      DBB   8   0.287   1.664  -2.898
   68    H    LEU   9           H        LEU   9  -3.487   3.725  -1.660
   69    HA   LEU   9           HA       LEU   9  -2.416   6.085  -2.980
   70    HB2  LEU   9           2HB      LEU   9  -4.062   7.335  -1.923
   71    HB3  LEU   9           1HB      LEU   9  -4.848   5.810  -2.271
   72    HG   LEU   9           HG       LEU   9  -5.578   6.361  -0.122
   73   HD11  LEU   9          1HD1      LEU   9  -4.537   4.732   1.390
   74   HD12  LEU   9          2HD1      LEU   9  -3.214   4.529   0.242
   75   HD13  LEU   9          3HD1      LEU   9  -4.852   4.058  -0.210
   76   HD21  LEU   9          3HD2      LEU   9  -2.902   6.777   1.075
   77   HD22  LEU   9          1HD2      LEU   9  -4.447   7.537   1.454
   78   HD23  LEU   9          2HD2      LEU   9  -3.533   8.059   0.040
   79    H    DBB  10           H        DBB  10  -1.271   4.104  -0.609
   80    HA   DBB  10           HA       DBB  10  -0.443   5.995   1.340
   81    HB3  DBB  10           HB       DBB  10   0.890   6.697  -0.685
   82    HG1  DBB  10          3HG2      DBB  10   2.901   7.124   0.444
   83    HG2  DBB  10          1HG2      DBB  10   2.745   5.685   1.452
   84    HG3  DBB  10          2HG2      DBB  10   1.682   7.066   1.718
   85    H    LYS  11           H        LYS  11   1.457   5.089   2.659
   86    HA   LYS  11           HA       LYS  11   2.118   2.365   2.601
   87    HB2  LYS  11           2HB      LYS  11   2.130   4.292   4.927
   88    HB3  LYS  11           1HB      LYS  11   2.925   2.723   4.911
   89    HG2  LYS  11           2HG      LYS  11   4.032   3.785   2.722
   90    HG3  LYS  11           1HG      LYS  11   3.709   5.263   3.630
   91    HD2  LYS  11           2HD      LYS  11   4.952   3.006   5.099
   92    HD3  LYS  11           1HD      LYS  11   5.957   3.860   3.926
   93    HE2  LYS  11           2HE      LYS  11   6.141   5.660   5.240
   94    HE3  LYS  11           1HE      LYS  11   4.420   5.659   5.623
   95    HZ1  LYS  11           3HZ      LYS  11   5.839   5.309   7.578
   96    HZ2  LYS  11           1HZ      LYS  11   6.429   3.880   6.891
   97    HZ3  LYS  11           2HZ      LYS  11   4.795   4.007   7.306
   98    H    ASP  12           H        ASP  12  -0.716   3.965   3.717
   99    HA   ASP  12           HA       ASP  12  -1.574   2.179   5.702
  100    HB2  ASP  12           2HB      ASP  12  -2.627   4.375   5.290
  101    HB3  ASP  12           1HB      ASP  12  -3.270   3.772   3.765
  102    H    CYS  13           H        CYS  13  -1.351   1.845   2.296
  103    HA   CYS  13           HA       CYS  13  -3.354  -0.021   1.758
  104    HB2  CYS  13           2HB      CYS  13  -0.618   0.312   0.515
  105    HB3  CYS  13           1HB      CYS  13  -1.898  -0.693  -0.157
  106    HA   PRO  14           HA       PRO  14  -1.846  -3.332   4.433
  107    HB2  PRO  14           2HB      PRO  14  -3.889  -4.828   2.878
  108    HB3  PRO  14           1HB      PRO  14  -3.664  -4.719   4.628
  109    HG2  PRO  14           2HG      PRO  14  -5.646  -3.406   3.425
  110    HG3  PRO  14           1HG      PRO  14  -4.755  -2.679   4.774
  111    HD2  PRO  14           2HD      PRO  14  -4.546  -2.127   1.845
  112    HD3  PRO  14           1HD      PRO  14  -4.434  -1.005   3.216
  113    H    ASN  15           H        ASN  15  -2.110  -3.287   0.987
  114    HA   ASN  15           HA       ASN  15   0.322  -4.520   0.498
  115    HB2  ASN  15           2HB      ASN  15  -1.940  -6.393   0.796
  116    HB3  ASN  15           1HB      ASN  15  -0.980  -6.605  -0.667
  117   HD21  ASN  15          1HD2      ASN  15  -0.815  -8.690   0.753
  118   HD22  ASN  15          2HD2      ASN  15   0.613  -8.779   1.722
  119    H    VAL  16           H        VAL  16   0.888  -4.291  -1.603
  120    HA   VAL  16           HA       VAL  16  -1.168  -3.188  -3.393
  121    HB   VAL  16           HB       VAL  16   1.821  -2.846  -3.601
  122   HG11  VAL  16          1HG1      VAL  16   0.740  -0.763  -4.922
  123   HG12  VAL  16          2HG1      VAL  16  -0.495  -1.988  -5.212
  124   HG13  VAL  16          3HG1      VAL  16   1.176  -2.288  -5.693
  125   HG21  VAL  16          3HG2      VAL  16  -0.117  -1.535  -1.887
  126   HG22  VAL  16          1HG2      VAL  16   0.713  -0.393  -2.945
  127   HG23  VAL  16          2HG2      VAL  16   1.644  -1.444  -1.878
  128    H    ILE  17           H        ILE  17  -1.915  -5.061  -4.351
  129    HA   ILE  17           HA       ILE  17   0.014  -6.847  -5.627
  130    HB   ILE  17           HB       ILE  17  -2.984  -7.148  -5.594
  131   HG12  ILE  17          2HG1      ILE  17  -0.967  -8.259  -3.629
  132   HG13  ILE  17          1HG1      ILE  17  -2.140  -6.992  -3.284
  133   HG21  ILE  17          1HG2      ILE  17  -2.289  -8.666  -7.140
  134   HG22  ILE  17          2HG2      ILE  17  -2.065  -9.635  -5.684
  135   HG23  ILE  17          3HG2      ILE  17  -0.684  -8.827  -6.426
  136   HD11  ILE  17          3HD1      ILE  17  -2.552  -9.914  -3.644
  137   HD12  ILE  17          1HD1      ILE  17  -3.863  -8.806  -4.047
  138   HD13  ILE  17          2HD1      ILE  17  -3.195  -8.826  -2.415
  139    H    SER  18           H        SER  18  -0.853  -4.028  -6.530
  140    HA   SER  18           HA       SER  18  -1.646  -4.766  -9.268
  141    HB2  SER  18           2HB      SER  18  -2.572  -2.516  -9.498
  142    HB3  SER  18           1HB      SER  18  -3.284  -3.326  -8.102
  143    HG   SER  18           HG       SER  18  -2.094  -2.074  -6.758
  144    H    SER  19           H        SER  19   0.167  -2.224  -7.532
  145    HA   SER  19           HA       SER  19   1.704  -1.509  -9.809
  146    HB2  SER  19           2HB      SER  19   2.012  -0.914  -6.866
  147    HB3  SER  19           1HB      SER  19   3.134  -0.298  -8.078
  148    HG   SER  19           HG       SER  19   0.340   0.093  -8.266
  149    H    ILE  20           H        ILE  20   3.509  -2.252  -6.907
  150    HA   ILE  20           HA       ILE  20   4.871  -4.401  -8.367
  151    HB   ILE  20           HB       ILE  20   6.194  -2.425  -6.516
  152   HG12  ILE  20          2HG1      ILE  20   5.422  -1.424  -8.647
  153   HG13  ILE  20          1HG1      ILE  20   7.177  -1.467  -8.521
  154   HG21  ILE  20          1HG2      ILE  20   8.068  -3.655  -6.644
  155   HG22  ILE  20          2HG2      ILE  20   7.839  -3.994  -8.359
  156   HG23  ILE  20          3HG2      ILE  20   7.003  -4.967  -7.150
  157   HD11  ILE  20          3HD1      ILE  20   6.183  -3.854  -9.783
  158   HD12  ILE  20          1HD1      ILE  20   7.343  -2.666 -10.378
  159   HD13  ILE  20          2HD1      ILE  20   5.615  -2.407 -10.619
  160    H    CYS  21           H        CYS  21   6.262  -3.906  -5.341
  161    HA   CYS  21           HA       CYS  21   6.363  -5.264  -3.519
  162    HB2  CYS  21           2HB      CYS  21   3.883  -4.023  -3.608
  163    HB3  CYS  21           1HB      CYS  21   3.490  -5.710  -3.295
  164    H    ALA  22           H        ALA  22   6.619  -6.578  -5.967
  165    HA   ALA  22           HA       ALA  22   5.131  -8.737  -6.603
  166    HB1  ALA  22           1HB      ALA  22   7.298  -8.006  -7.648
  167    HB2  ALA  22           2HB      ALA  22   7.067  -9.750  -7.518
  168    HB3  ALA  22           3HB      ALA  22   8.125  -8.913  -6.382
  169    H    GLY  23           H        GLY  23   4.058  -9.744  -4.918
  170    HA2  GLY  23           2HA      GLY  23   3.729 -11.232  -3.202
  171    HA3  GLY  23           1HA      GLY  23   5.220 -11.983  -3.749
  172    H    THR  24           H        THR  24   4.493  -8.857  -2.199
  173    HA   THR  24           HA       THR  24   5.951  -9.664   0.178
  174    HB   THR  24           HB       THR  24   6.892  -7.066  -0.839
  175    HG1  THR  24           1HG      THR  24   7.698  -9.471  -2.105
  176   HG21  THR  24          3HG2      THR  24   8.368  -9.474   0.198
  177   HG22  THR  24          1HG2      THR  24   7.846  -8.089   1.158
  178   HG23  THR  24          2HG2      THR  24   9.055  -7.879  -0.109
  179    H    ILE  25           H        ILE  25   6.004  -7.756   1.783
  180    HA   ILE  25           HA       ILE  25   3.336  -6.540   1.754
  181    HB   ILE  25           HB       ILE  25   5.217  -6.715   4.104
  182   HG12  ILE  25          2HG1      ILE  25   4.685  -8.975   3.225
  183   HG13  ILE  25          1HG1      ILE  25   3.998  -8.693   4.822
  184   HG21  ILE  25          1HG2      ILE  25   2.599  -5.566   3.650
  185   HG22  ILE  25          2HG2      ILE  25   3.699  -5.368   5.014
  186   HG23  ILE  25          3HG2      ILE  25   2.584  -6.733   4.971
  187   HD11  ILE  25          3HD1      ILE  25   1.938  -7.927   3.267
  188   HD12  ILE  25          1HD1      ILE  25   2.159  -9.564   3.885
  189   HD13  ILE  25          2HD1      ILE  25   2.674  -9.163   2.246
  190    H    ILE  26           H        ILE  26   6.517  -5.607   3.076
  191    HA   ILE  26           HA       ILE  26   6.354  -3.042   1.710
  192    HB   ILE  26           HB       ILE  26   6.701  -3.131   4.706
  193   HG12  ILE  26          2HG1      ILE  26   4.282  -2.299   3.086
  194   HG13  ILE  26          1HG1      ILE  26   4.397  -3.732   4.103
  195   HG21  ILE  26          1HG2      ILE  26   7.086  -0.909   4.643
  196   HG22  ILE  26          2HG2      ILE  26   5.974  -0.646   3.299
  197   HG23  ILE  26          3HG2      ILE  26   7.599  -1.260   2.993
  198   HD11  ILE  26          3HD1      ILE  26   3.227  -2.205   5.400
  199   HD12  ILE  26          1HD1      ILE  26   4.257  -0.858   4.915
  200   HD13  ILE  26          2HD1      ILE  26   4.877  -2.093   6.011
  201    H    THR  27           H        THR  27   8.236  -3.310   0.623
  202    HA   THR  27           HA       THR  27  10.684  -3.162   2.148
  203    HB   THR  27           HB       THR  27  11.716  -5.081   0.888
  204    HG1  THR  27           1HG      THR  27  10.469  -6.412  -0.254
  205   HG21  THR  27          3HG2      THR  27  10.791  -6.858   2.251
  206   HG22  THR  27          1HG2      THR  27   9.413  -5.841   2.667
  207   HG23  THR  27          2HG2      THR  27  11.032  -5.395   3.207
  208    H    ALA  28           H        ALA  28   9.559  -3.904  -1.158
  209    HA   ALA  28           HA       ALA  28  11.376  -1.807  -2.142
  210    HB1  ALA  28           1HB      ALA  28  11.909  -3.081  -3.926
  211    HB2  ALA  28           2HB      ALA  28  10.286  -3.757  -4.065
  212    HB3  ALA  28           3HB      ALA  28  11.408  -4.396  -2.863
  213    H    CYS  29           H        CYS  29   8.088  -2.788  -1.898
  214    HA   CYS  29           HA       CYS  29   7.181  -1.077  -4.051
  215    HB2  CYS  29           2HB      CYS  29   4.983  -1.882  -3.553
  216    HB3  CYS  29           1HB      CYS  29   6.081  -3.248  -3.507
  217    H    LYS  30           H        LYS  30   8.503   0.585  -2.599
  218    HA   LYS  30           HA       LYS  30   6.967   1.775  -0.476
  219    HB2  LYS  30           2HB      LYS  30   9.436   2.791  -1.890
  220    HB3  LYS  30           1HB      LYS  30   8.755   3.456  -0.412
  221    HG2  LYS  30           2HG      LYS  30   9.081   1.065   0.523
  222    HG3  LYS  30           1HG      LYS  30  10.191   0.872  -0.834
  223    HD2  LYS  30           2HD      LYS  30  11.535   1.585   0.960
  224    HD3  LYS  30           1HD      LYS  30  11.293   3.025  -0.032
  225    HE2  LYS  30           2HE      LYS  30   9.351   3.579   1.509
  226    HE3  LYS  30           1HE      LYS  30   9.962   2.311   2.571
  227    HZ1  LYS  30           3HZ      LYS  30  11.906   4.285   1.691
  228    HZ2  LYS  30           1HZ      LYS  30  11.706   3.561   3.207
  229    HZ3  LYS  30           2HZ      LYS  30  10.712   4.849   2.747
  230    H    ASN  31           H        ASN  31   7.440   2.297  -3.886
  231    HA   ASN  31           HA       ASN  31   6.356   4.924  -3.991
  232    HB2  ASN  31           2HB      ASN  31   6.208   4.538  -6.420
  233    HB3  ASN  31           1HB      ASN  31   7.780   4.065  -5.785
  234   HD21  ASN  31          1HD2      ASN  31   5.067   3.106  -7.540
  235   HD22  ASN  31          2HD2      ASN  31   5.456   1.430  -7.703
  236    H    CYS  32           H        CYS  32   4.354   5.411  -3.448
  237    HA   CYS  32           HA       CYS  32   2.237   3.462  -3.529
  238    HB2  CYS  32           2HB      CYS  32   2.393   6.352  -2.697
  239    HB3  CYS  32           1HB      CYS  32   0.859   5.491  -2.754
  240    H    ALA  33           H        ALA  33   2.738   6.653  -5.041
  241    HA   ALA  33           HA       ALA  33   1.305   5.704  -7.408
  242    HB1  ALA  33           1HB      ALA  33   0.146   8.017  -7.426
  243    HB2  ALA  33           2HB      ALA  33   0.503   8.026  -5.699
  244    HB3  ALA  33           3HB      ALA  33  -0.497   6.745  -6.386
  Start of MODEL   20
    1    H1   ALA   1           1HT      ALA   1 -22.790   6.491  -3.195
    2    H2   ALA   1           2HT      ALA   1 -21.482   5.380  -3.154
    3    H3   ALA   1           3HT      ALA   1 -22.896   5.081  -2.227
    4    HA   ALA   1           HA       ALA   1 -23.189   3.709  -3.970
    5    HB1  ALA   1           2HB      ALA   1 -25.231   4.688  -3.996
    6    HB2  ALA   1           3HB      ALA   1 -24.702   5.188  -5.603
    7    HB3  ALA   1           1HB      ALA   1 -24.576   6.306  -4.246
    8    H    ASP   2           H        ASP   2 -22.197   6.855  -5.321
    9    HA   ASP   2           HA       ASP   2 -20.431   5.461  -7.176
   10    HB2  ASP   2           2HB      ASP   2 -22.926   6.754  -7.945
   11    HB3  ASP   2           1HB      ASP   2 -21.539   7.433  -8.792
   12    H    ARG   3           H        ARG   3 -18.691   6.342  -6.071
   13    HA   ARG   3           HA       ARG   3 -18.257   9.199  -6.565
   14    HB2  ARG   3           2HB      ARG   3 -18.940   8.510  -4.113
   15    HB3  ARG   3           1HB      ARG   3 -17.254   8.021  -4.010
   16    HG2  ARG   3           2HG      ARG   3 -16.858  10.442  -4.984
   17    HG3  ARG   3           1HG      ARG   3 -18.436  10.732  -4.248
   18    HD2  ARG   3           2HD      ARG   3 -17.627  10.041  -2.099
   19    HD3  ARG   3           1HD      ARG   3 -16.094   9.518  -2.793
   20    HE   ARG   3           HE       ARG   3 -15.369  11.687  -2.745
   21   HH11  ARG   3          1HH1      ARG   3 -18.834  11.646  -2.326
   22   HH12  ARG   3          2HH1      ARG   3 -18.935  13.334  -1.955
   23   HH21  ARG   3          1HH2      ARG   3 -15.499  13.908  -2.256
   24   HH22  ARG   3          2HH2      ARG   3 -17.042  14.619  -1.914
   25    H    GLY   4           H        GLY   4 -16.497   6.493  -5.045
   26    HA2  GLY   4           2HA      GLY   4 -14.773   5.542  -6.713
   27    HA3  GLY   4           1HA      GLY   4 -14.193   7.201  -6.729
   28    H    TRP   5           H        TRP   5 -14.356   4.233  -4.947
   29    HA   TRP   5           HA       TRP   5 -13.342   5.120  -2.480
   30    HB2  TRP   5           2HB      TRP   5 -14.357   2.823  -3.137
   31    HB3  TRP   5           1HB      TRP   5 -12.712   2.407  -3.609
   32    HD1  TRP   5           HD       TRP   5 -10.856   3.032  -1.447
   33    HE1  TRP   5           1HE      TRP   5 -11.127   2.291   1.003
   34    HE3  TRP   5           3HE      TRP   5 -15.893   2.150  -1.416
   35    HZ2  TRP   5           2HZ      TRP   5 -13.201   1.444   2.721
   36    HZ3  TRP   5           3HZ      TRP   5 -16.941   1.376   0.671
   37    HH2  TRP   5           HH       TRP   5 -15.622   1.032   2.696
   38    H    ILE   6           H        ILE   6 -11.277   5.270  -1.660
   39    HA   ILE   6           HA       ILE   6  -9.125   5.294  -3.671
   40    HB   ILE   6           HB       ILE   6  -9.141   6.774  -1.042
   41   HG12  ILE   6          2HG1      ILE   6  -9.817   7.797  -3.810
   42   HG13  ILE   6          1HG1      ILE   6 -10.957   7.592  -2.484
   43   HG21  ILE   6          1HG2      ILE   6  -7.349   8.097  -2.197
   44   HG22  ILE   6          2HG2      ILE   6  -7.370   6.881  -3.474
   45   HG23  ILE   6          3HG2      ILE   6  -6.924   6.425  -1.830
   46   HD11  ILE   6          3HD1      ILE   6  -9.760   9.913  -3.089
   47   HD12  ILE   6          1HD1      ILE   6  -8.619   9.278  -1.905
   48   HD13  ILE   6          2HD1      ILE   6 -10.315   9.489  -1.470
   49    H    LYS   7           H        LYS   7  -8.202   3.318  -3.532
   50    HA   LYS   7           HA       LYS   7  -7.051   2.577  -0.930
   51    HB2  LYS   7           2HB      LYS   7  -7.515   0.218  -1.374
   52    HB3  LYS   7           1HB      LYS   7  -9.006   1.151  -1.332
   53    HG2  LYS   7           2HG      LYS   7  -8.314   1.208  -3.993
   54    HG3  LYS   7           1HG      LYS   7  -7.840  -0.414  -3.486
   55    HD2  LYS   7           2HD      LYS   7 -10.182  -0.482  -2.374
   56    HD3  LYS   7           1HD      LYS   7 -10.549   0.863  -3.456
   57    HE2  LYS   7           2HE      LYS   7  -9.913  -0.513  -5.378
   58    HE3  LYS   7           1HE      LYS   7  -9.543  -1.855  -4.296
   59    HZ1  LYS   7           3HZ      LYS   7 -12.214  -0.607  -4.656
   60    HZ2  LYS   7           1HZ      LYS   7 -11.862  -1.889  -3.609
   61    HZ3  LYS   7           2HZ      LYS   7 -11.729  -2.101  -5.281
   62    H    DBB   8           H        DBB   8  -4.932   2.903  -1.236
   63    HA   DBB   8           HA       DBB   8  -3.738   2.047  -3.777
   64    HB3  DBB   8           HB       DBB   8  -3.334   0.258  -2.194
   65    HG1  DBB   8          3HG2      DBB   8  -0.926   0.139  -2.207
   66    HG2  DBB   8          1HG2      DBB   8  -0.805   1.879  -2.458
   67    HG3  DBB   8          2HG2      DBB   8  -1.476   0.851  -3.722
   68    H    LEU   9           H        LEU   9  -3.235   3.890  -0.772
   69    HA   LEU   9           HA       LEU   9  -2.108   6.057  -2.332
   70    HB2  LEU   9           2HB      LEU   9  -2.364   6.135   0.641
   71    HB3  LEU   9           1HB      LEU   9  -2.517   7.439  -0.521
   72    HG   LEU   9           HG       LEU   9  -4.638   5.931  -1.244
   73   HD11  LEU   9          1HD1      LEU   9  -3.858   4.591   0.977
   74   HD12  LEU   9          2HD1      LEU   9  -5.517   4.651   0.382
   75   HD13  LEU   9          3HD1      LEU   9  -5.001   5.744   1.665
   76   HD21  LEU   9          3HD2      LEU   9  -4.490   8.038   0.907
   77   HD22  LEU   9          1HD2      LEU   9  -5.990   7.481   0.168
   78   HD23  LEU   9          2HD2      LEU   9  -4.768   8.286  -0.816
   79    H    DBB  10           H        DBB  10  -0.972   3.597  -0.147
   80    HA   DBB  10           HA       DBB  10   1.659   4.905  -0.049
   81    HB3  DBB  10           HB       DBB  10   2.802   2.843  -0.600
   82    HG1  DBB  10          3HG2      DBB  10   1.519   0.875  -1.416
   83    HG2  DBB  10          1HG2      DBB  10   0.060   1.628  -0.785
   84    HG3  DBB  10          2HG2      DBB  10   1.346   1.147   0.316
   85    H    LYS  11           H        LYS  11   0.387   5.340   2.074
   86    HA   LYS  11           HA       LYS  11   1.608   3.689   4.085
   87    HB2  LYS  11           2HB      LYS  11   0.186   6.282   4.002
   88    HB3  LYS  11           1HB      LYS  11   0.059   5.386   5.509
   89    HG2  LYS  11           2HG      LYS  11   2.779   5.506   4.470
   90    HG3  LYS  11           1HG      LYS  11   2.087   7.092   4.818
   91    HD2  LYS  11           2HD      LYS  11   1.639   5.017   6.866
   92    HD3  LYS  11           1HD      LYS  11   3.311   5.544   6.660
   93    HE2  LYS  11           2HE      LYS  11   2.907   7.588   7.516
   94    HE3  LYS  11           1HE      LYS  11   1.326   7.709   6.746
   95    HZ1  LYS  11           3HZ      LYS  11   1.584   5.795   8.929
   96    HZ2  LYS  11           1HZ      LYS  11   0.289   6.805   8.523
   97    HZ3  LYS  11           2HZ      LYS  11   1.625   7.432   9.350
   98    H    ASP  12           H        ASP  12  -1.499   3.904   2.592
   99    HA   ASP  12           HA       ASP  12  -2.736   2.318   4.719
  100    HB2  ASP  12           2HB      ASP  12  -3.687   4.356   2.986
  101    HB3  ASP  12           1HB      ASP  12  -4.557   2.879   2.583
  102    H    CYS  13           H        CYS  13  -0.763   1.341   2.598
  103    HA   CYS  13           HA       CYS  13  -2.268  -1.065   1.963
  104    HB2  CYS  13           2HB      CYS  13  -0.664  -0.109  -0.321
  105    HB3  CYS  13           1HB      CYS  13  -2.200  -0.957  -0.301
  106    HA   PRO  14           HA       PRO  14   2.014  -2.117   3.099
  107    HB2  PRO  14           2HB      PRO  14   1.110  -4.138   4.849
  108    HB3  PRO  14           1HB      PRO  14   1.654  -2.522   5.295
  109    HG2  PRO  14           2HG      PRO  14  -0.955  -3.530   5.545
  110    HG3  PRO  14           1HG      PRO  14  -0.464  -1.836   5.697
  111    HD2  PRO  14           2HD      PRO  14  -1.693  -3.255   3.386
  112    HD3  PRO  14           1HD      PRO  14  -1.866  -1.562   3.900
  113    H    ASN  15           H        ASN  15   0.671  -3.054   0.745
  114    HA   ASN  15           HA       ASN  15   2.129  -5.300   0.090
  115    HB2  ASN  15           2HB      ASN  15   0.073  -6.069   1.791
  116    HB3  ASN  15           1HB      ASN  15  -0.557  -6.440   0.191
  117   HD21  ASN  15          1HD2      ASN  15  -0.366  -8.609   1.358
  118   HD22  ASN  15          2HD2      ASN  15   1.095  -9.486   1.076
  119    H    VAL  16           H        VAL  16  -0.700  -3.343  -0.400
  120    HA   VAL  16           HA       VAL  16  -1.527  -2.401  -2.310
  121    HB   VAL  16           HB       VAL  16   0.373  -4.132  -3.894
  122   HG11  VAL  16          1HG1      VAL  16  -0.046  -1.725  -5.204
  123   HG12  VAL  16          2HG1      VAL  16  -1.637  -2.163  -4.581
  124   HG13  VAL  16          3HG1      VAL  16  -0.755  -3.285  -5.617
  125   HG21  VAL  16          3HG2      VAL  16   2.010  -2.949  -2.931
  126   HG22  VAL  16          1HG2      VAL  16   0.881  -1.789  -2.232
  127   HG23  VAL  16          2HG2      VAL  16   1.426  -1.595  -3.897
  128    H    ILE  17           H        ILE  17  -3.381  -2.884  -3.333
  129    HA   ILE  17           HA       ILE  17  -4.266  -5.656  -3.266
  130    HB   ILE  17           HB       ILE  17  -5.887  -3.259  -4.103
  131   HG12  ILE  17          2HG1      ILE  17  -5.760  -4.439  -1.325
  132   HG13  ILE  17          1HG1      ILE  17  -4.827  -3.026  -1.809
  133   HG21  ILE  17          1HG2      ILE  17  -7.565  -4.694  -4.342
  134   HG22  ILE  17          2HG2      ILE  17  -7.309  -5.336  -2.720
  135   HG23  ILE  17          3HG2      ILE  17  -6.421  -6.011  -4.085
  136   HD11  ILE  17          3HD1      ILE  17  -6.582  -1.675  -1.600
  137   HD12  ILE  17          1HD1      ILE  17  -7.341  -3.005  -0.725
  138   HD13  ILE  17          2HD1      ILE  17  -7.653  -2.792  -2.448
  139    H    SER  18           H        SER  18  -2.377  -4.382  -5.352
  140    HA   SER  18           HA       SER  18  -3.617  -5.702  -7.629
  141    HB2  SER  18           2HB      SER  18  -2.831  -3.686  -9.067
  142    HB3  SER  18           1HB      SER  18  -4.346  -3.543  -8.174
  143    HG   SER  18           HG       SER  18  -3.490  -1.892  -7.224
  144    H    SER  19           H        SER  19  -2.063  -6.030  -9.419
  145    HA   SER  19           HA       SER  19   0.338  -7.129  -8.521
  146    HB2  SER  19           2HB      SER  19   0.947  -7.296 -10.915
  147    HB3  SER  19           1HB      SER  19  -0.704  -7.835 -10.612
  148    HG   SER  19           HG       SER  19  -1.344  -5.658 -11.246
  149    H    ILE  20           H        ILE  20   0.216  -4.460 -10.838
  150    HA   ILE  20           HA       ILE  20   2.748  -3.479  -9.885
  151    HB   ILE  20           HB       ILE  20   1.629  -3.643 -12.369
  152   HG12  ILE  20          2HG1      ILE  20   3.824  -1.881 -11.320
  153   HG13  ILE  20          1HG1      ILE  20   3.967  -3.479 -12.034
  154   HG21  ILE  20          1HG2      ILE  20   0.137  -1.676 -11.648
  155   HG22  ILE  20          2HG2      ILE  20   0.941  -1.593 -13.215
  156   HG23  ILE  20          3HG2      ILE  20   1.590  -0.694 -11.844
  157   HD11  ILE  20          3HD1      ILE  20   3.409  -2.616 -14.203
  158   HD12  ILE  20          1HD1      ILE  20   4.727  -1.663 -13.519
  159   HD13  ILE  20          2HD1      ILE  20   3.084  -1.020 -13.526
  160    H    CYS  21           H        CYS  21   2.687  -0.857 -10.144
  161    HA   CYS  21           HA       CYS  21   0.485   0.133  -8.492
  162    HB2  CYS  21           2HB      CYS  21   3.389   0.273  -7.889
  163    HB3  CYS  21           1HB      CYS  21   2.409   1.674  -7.492
  164    H    ALA  22           H        ALA  22   3.235   0.989 -10.504
  165    HA   ALA  22           HA       ALA  22   1.644   3.114 -11.737
  166    HB1  ALA  22           1HB      ALA  22   3.111   4.043  -9.880
  167    HB2  ALA  22           2HB      ALA  22   3.268   4.794 -11.468
  168    HB3  ALA  22           3HB      ALA  22   4.484   3.643 -10.913
  169    H    GLY  23           H        GLY  23   3.275   4.167 -13.516
  170    HA2  GLY  23           2HA      GLY  23   3.533   2.155 -15.473
  171    HA3  GLY  23           1HA      GLY  23   4.136   3.799 -15.611
  172    H    THR  24           H        THR  24   6.195   3.733 -16.193
  173    HA   THR  24           HA       THR  24   8.410   3.241 -16.247
  174    HB   THR  24           HB       THR  24   9.520   2.957 -14.231
  175    HG1  THR  24           1HG      THR  24   7.324   1.363 -13.467
  176   HG21  THR  24          3HG2      THR  24   6.814   3.893 -13.311
  177   HG22  THR  24          1HG2      THR  24   8.079   4.909 -14.000
  178   HG23  THR  24          2HG2      THR  24   8.340   4.103 -12.454
  179    H    ILE  25           H        ILE  25   9.912   1.529 -16.600
  180    HA   ILE  25           HA       ILE  25   8.594  -1.082 -16.948
  181    HB   ILE  25           HB       ILE  25  11.048  -0.098 -18.400
  182   HG12  ILE  25          2HG1      ILE  25   8.744  -0.308 -20.093
  183   HG13  ILE  25          1HG1      ILE  25   8.355   0.743 -18.734
  184   HG21  ILE  25          1HG2      ILE  25  11.041  -2.043 -19.550
  185   HG22  ILE  25          2HG2      ILE  25   9.283  -2.183 -19.517
  186   HG23  ILE  25          3HG2      ILE  25  10.231  -2.633 -18.099
  187   HD11  ILE  25          3HD1      ILE  25   9.246   2.330 -20.030
  188   HD12  ILE  25          1HD1      ILE  25  10.158   1.174 -21.001
  189   HD13  ILE  25          2HD1      ILE  25  10.783   1.698 -19.437
  190    H    ILE  26           H        ILE  26  11.418   0.554 -15.683
  191    HA   ILE  26           HA       ILE  26  13.069  -1.631 -15.158
  192    HB   ILE  26           HB       ILE  26  12.796   0.812 -13.405
  193   HG12  ILE  26          2HG1      ILE  26  14.943   0.807 -15.394
  194   HG13  ILE  26          1HG1      ILE  26  13.338   0.814 -16.117
  195   HG21  ILE  26          1HG2      ILE  26  15.420   0.193 -13.429
  196   HG22  ILE  26          2HG2      ILE  26  14.713  -1.415 -13.591
  197   HG23  ILE  26          3HG2      ILE  26  14.281  -0.397 -12.218
  198   HD11  ILE  26          3HD1      ILE  26  14.728   2.893 -14.566
  199   HD12  ILE  26          1HD1      ILE  26  12.998   2.720 -14.273
  200   HD13  ILE  26          2HD1      ILE  26  13.589   3.037 -15.905
  201    H    THR  27           H        THR  27  10.755  -0.046 -12.958
  202    HA   THR  27           HA       THR  27  10.626  -2.563 -11.430
  203    HB   THR  27           HB       THR  27   9.728  -0.697  -9.663
  204    HG1  THR  27           1HG      THR  27  11.826   0.536 -11.116
  205   HG21  THR  27          3HG2      THR  27  11.895  -0.774  -8.583
  206   HG22  THR  27          1HG2      THR  27  12.617  -1.434 -10.051
  207   HG23  THR  27          2HG2      THR  27  11.421  -2.373  -9.157
  208    H    ALA  28           H        ALA  28   8.534  -2.904 -10.294
  209    HA   ALA  28           HA       ALA  28   6.330  -2.102 -12.051
  210    HB1  ALA  28           1HB      ALA  28   6.905  -4.488 -10.408
  211    HB2  ALA  28           2HB      ALA  28   6.133  -4.356 -11.988
  212    HB3  ALA  28           3HB      ALA  28   5.217  -3.995 -10.525
  213    H    CYS  29           H        CYS  29   6.556  -2.918  -8.599
  214    HA   CYS  29           HA       CYS  29   5.355  -0.357  -7.913
  215    HB2  CYS  29           2HB      CYS  29   3.353  -1.528  -8.119
  216    HB3  CYS  29           1HB      CYS  29   4.023  -3.013  -7.496
  217    H    LYS  30           H        LYS  30   7.132   0.244  -6.793
  218    HA   LYS  30           HA       LYS  30   7.933  -1.436  -4.512
  219    HB2  LYS  30           2HB      LYS  30   9.723  -0.953  -6.154
  220    HB3  LYS  30           1HB      LYS  30   9.500   0.767  -5.867
  221    HG2  LYS  30           2HG      LYS  30  10.000  -0.859  -3.468
  222    HG3  LYS  30           1HG      LYS  30  11.337  -0.752  -4.615
  223    HD2  LYS  30           2HD      LYS  30  10.700   1.816  -4.560
  224    HD3  LYS  30           1HD      LYS  30  10.053   1.375  -2.978
  225    HE2  LYS  30           2HE      LYS  30  12.184   1.884  -2.358
  226    HE3  LYS  30           1HE      LYS  30  12.417   0.184  -2.769
  227    HZ1  LYS  30           3HZ      LYS  30  13.280   0.795  -4.891
  228    HZ2  LYS  30           1HZ      LYS  30  14.106   1.701  -3.725
  229    HZ3  LYS  30           2HZ      LYS  30  12.894   2.424  -4.657
  230    H    ASN  31           H        ASN  31   6.825   1.706  -5.511
  231    HA   ASN  31           HA       ASN  31   6.334   2.398  -2.708
  232    HB2  ASN  31           2HB      ASN  31   7.966   3.947  -4.671
  233    HB3  ASN  31           1HB      ASN  31   6.951   4.840  -3.544
  234   HD21  ASN  31          1HD2      ASN  31   7.113   3.517  -1.253
  235   HD22  ASN  31          2HD2      ASN  31   8.741   3.437  -0.683
  236    H    CYS  32           H        CYS  32   5.091   4.698  -2.835
  237    HA   CYS  32           HA       CYS  32   2.921   4.300  -4.788
  238    HB2  CYS  32           2HB      CYS  32   2.864   4.992  -1.874
  239    HB3  CYS  32           1HB      CYS  32   1.552   5.522  -2.923
  240    H    ALA  33           H        ALA  33   4.873   6.640  -3.022
  241    HA   ALA  33           HA       ALA  33   3.736   8.828  -4.602
  242    HB1  ALA  33           1HB      ALA  33   5.834   9.402  -2.608
  243    HB2  ALA  33           2HB      ALA  33   4.317   8.757  -1.980
  244    HB3  ALA  33           3HB      ALA  33   4.317  10.239  -2.936